smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	100370414	ODVLPCJRMFAPLC-PMIVHWTLSA-N	418.446	3.811	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1	587116657	KPWFJHIIBZBHJY-UHFFFAOYSA-N	400.748	3.855	5	1	HHBF	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc([N+](=O)[O-])c2[nH]1	587002171	XHWYYEOJMWNHCL-LBPRGKRZSA-N	400.236	3.957	5	1	HHBF	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2C1	587034963	QOQYIMNQBVXYGL-UHFFFAOYSA-N	401.448	3.888	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2	587578321	WBTOLHGDLIOMKI-KNQAVFIVSA-N	421.361	3.775	5	1	HHBF	
Cc1cc(C)nc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1	95571462	RNOQNLMXTADWSS-UHFFFAOYSA-N	422.514	3.674	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=N)N)cc2[nH]1	587054019	ICUMUQCBOANISG-MRXNPFEDSA-N	414.853	3.536	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12	587169993	HDIXSMGQSLWZQY-UHFFFAOYSA-N	419.419	3.535	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587750875	KAPJICIJDKXPIH-RBHXEPJQSA-N	405.227	3.996	5	1	HHBF	
O=C(c1cccc(Cn2cc([N+](=O)[O-])cn2)c1)n1nc2cc1Oc1ccc(F)cc1-2	587874526	FCOGENSMEDMXMY-UHFFFAOYSA-N	405.345	3.636	5	1	HHBF	
C[C@H]1CCCN(c2ccc([N+](=O)[O-])c([C@@]3(C)NCCc4nc5ccccn5c43)c2)C1	962989505	RAWKQWBWHZUKSG-QMHKHESXSA-N	405.502	3.888	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	587575612	JRMMJRJYDZWCBP-XLIONFOSSA-N	408.322	3.912	5	1	HHBF	
CCCCNc1ccc([C@H](CC(N)=O)NC(=O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-]	15937523	LAHIRSUTQJCNOK-IBGZPJMESA-N	412.490	3.770	5	3	HHBF	
C[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	587275844	HBUSWZBTRLJZTP-LURJTMIESA-N	415.045	3.802	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccccc1[N+](=O)[O-]	587868118	GMUYRJGAQUYKJD-UHFFFAOYSA-N	406.320	3.764	5	1	HHBF	
C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575965	LOBHJDLKCZDFRG-SIKLNZKXSA-N	421.361	3.906	5	1	HHBF	
O=C1C[C@H](c2ccc(-c3ccccc3)cc2)N1S(=O)(=O)c1ccccc1[N+](=O)[O-]	13828821	CCXXYASQYRRJQJ-LJQANCHMSA-N	408.435	3.924	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@@H](O)[C@@H](CCC(C)C)C(=O)OC)cccc3nc12	2356805571	ZWDLNJITQHGPIV-IIBYNOLFSA-N	410.470	3.828	5	1	HHBF	
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCCC3	35079606	CWDRVGKNJWGVJS-SFHVURJKSA-N	408.458	3.845	5	1	HHBF	
COCCOc1ccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1[N+](=O)[O-]	587266419	WYXBERBIVGWOJL-UHFFFAOYSA-N	405.794	3.603	5	1	HHBF	
CCN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc([N+](=O)[O-])c2)n1	82135856	XMTJBPYINPEJKF-UHFFFAOYSA-N	423.448	3.620	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@@H]1O	84756844	VBFDKVIOWWFFOQ-VJBWXMMDSA-N	412.438	3.649	5	1	HHBF	
CS(=O)(=O)Nc1ccccc1Cc1nc2c3cccnc3c3ncccc3c2[nH]1	586949767	ZXORWDDDNRUOJU-UHFFFAOYSA-N	403.467	3.622	5	1	HHBF	
O=[N+]([O-])c1ccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)cc1	587368208	JTVMPEZNHVVUCG-UHFFFAOYSA-N	408.345	3.729	5	1	HHBF	
COc1ccc(CNc2nc3ccc([N+](=O)[O-])cc3nc2NCCCN(C)C)cc1	1857581831	BWZVALBOVLEZFJ-UHFFFAOYSA-N	410.478	3.522	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587750144	GWLMDINCHRAJNQ-CQLKUDPESA-N	409.211	3.849	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)O2	587388572	DIKWVBGIZRRUJS-LJQANCHMSA-N	408.414	3.733	5	1	HHBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1[N+](=O)[O-]	653827675	IAKDNUGZTVECLW-AWEZNQCLSA-N	408.414	3.719	5	1	HHBF	
COC(=O)[C@@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@@H](O)CCCC(C)C	40976802	ONEYDSBBYZVTOT-OALUTQOASA-N	410.470	3.925	5	1	HHBF	biogenic
Cc1ccc2c(ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c32)n1	587265844	HNUSAHFDRNXCCG-BBATYDOGSA-N	422.401	3.770	5	1	HHBF	
COc1ccc(N2C(=O)[C@H](Oc3ccc(C=O)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	1857616441	UQBMLNVINZBWEP-FCHUYYIVSA-N	418.405	3.951	5	1	HHBF	
O=C(O)CCCn1c2c(sc3ccccc32)c(=O)n2nnc(-c3ccccc3)c12	96928507	URRPRAFSCFKSIO-UHFFFAOYSA-N	404.451	3.791	5	1	HHBF	
Cc1cc(C2=C[C@H](c3cccc([N+](=O)[O-])c3)N(C(=O)c3ccncc3)N2)ccc1O	103197732	ORLQUFGBFWXDCJ-HXUWFJFHSA-N	402.410	3.747	5	1	HHBF	
COc1ccc(S(=O)(=O)CCCC(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	587280466	XSZCMHULWYDZMV-UHFFFAOYSA-N	403.412	3.786	5	1	HHBF	
CCOC(=O)C1=C(CC)NC(CC)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1	49784745	LFVDUUBRDWRHRA-UHFFFAOYSA-N	402.447	3.736	5	1	HHBF	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O	587748838	WTJLRUCXWTXFDA-WNWIJWBNSA-N	411.227	3.834	5	1	HHBF	
Nc1ccc([N+](=O)[O-])cc1-c1nc2cccc3c2n(c1=O)[C@@H](c1ccccc1)CO3	1772606882	ZNODOLFSZOXKTE-GOSISDBHSA-N	400.394	3.536	5	1	HHBF	
O=C1CSc2ccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2N1	587044434	WWSIZJHVDSTLLM-UHFFFAOYSA-N	405.233	3.945	5	1	HHBF	
Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br	587093180	XSXIMRAERXSXRS-UHFFFAOYSA-N	404.146	3.968	5	1	HHBF	
CN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)S(=O)(=O)c1ccc(F)cc1	587170085	OAVCAWSKDQXXIT-UHFFFAOYSA-N	421.457	3.619	5	1	HHBF	
Cn1c(CC(=O)Nc2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(F)cc1F	29124590	MFSMLAWXHOGCCD-PYCFMQQDSA-N	404.398	3.687	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	587575614	JRMMJRJYDZWCBP-YLJYHZDGSA-N	408.322	3.912	5	1	HHBF	
O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccs2)cc2c1Nc1ccccc1O2	103299680	VFURAXIRFSUTKI-UHFFFAOYSA-N	403.441	3.984	5	1	HHBF	
Cc1ccc(-n2nnc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	299850602	BZCPHNMRUHFTAH-UHFFFAOYSA-N	400.398	3.798	5	1	HHBF	
CCN(CC)[C@@H]1CCN(C(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)C1	169349312	OAJTVMLBAZMIAU-LJQANCHMSA-N	414.509	3.557	5	1	HHBF	
CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C[N+](CCO)(CCO)CCO	299820476	CNKIYXHUGDHNGV-KKUQBAQOSA-N	418.642	3.614	5	1	HHBF	
COc1ccccc1C1=NN(C(=O)c2ccncc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1	653731214	KXQGADRJHZGAOI-FQEVSTJZSA-N	402.410	3.990	5	1	HHBF	
Cc1csc([C@](O)(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(F)(F)F)n1	587095217	ZEERIZZGBYBTJC-CYBMUJFWSA-N	406.773	3.882	5	1	HHBF	
O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575934	LIFYWYSNSXHOLZ-LAUBAEHRSA-N	407.334	3.521	5	1	HHBF	
C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-]	586988114	ZIMIGFLWQCLNSO-ZLKJLUDKSA-N	418.405	3.720	5	1	HHBF	
O=[N+]([O-])c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Cl	587113342	PZZILCANOOCGLC-UHFFFAOYSA-N	423.742	3.845	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3	587261324	AYPQSJWGBMSUSX-LLVKDONJSA-N	413.386	3.594	5	1	HHBF	
COC(=O)c1cc([C@H]2c3ccsc3CCN2Cc2cccn2C)cc([N+](=O)[O-])c1	962402008	YJCUOTPJCKWDKX-FQEVSTJZSA-N	411.483	3.929	5	1	HHBF	
O=C(CSc1nncnc1-c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-]	95562223	RSZYARGFPJSBQO-UHFFFAOYSA-N	401.835	3.831	5	1	HHBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135393	ZTKLDZLTURUPGV-HOTGVXAUSA-N	409.490	3.770	5	1	HHBF	
COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NC1CCCCC1	653691288	ZOLGOJCVVCOTKC-UHFFFAOYSA-N	411.458	3.596	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c(O)c2[nH]1	587118030	ZNBYXJFGVHCPLL-UHFFFAOYSA-N	420.145	3.511	5	1	HHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1	587263865	HEMXIRAYZYVJHD-JKYUHCHBSA-N	409.761	3.706	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)O2	587391325	VHIZPQHVHUSOAJ-IBGZPJMESA-N	408.414	3.733	5	1	HHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(I)c2[nH]1	587158449	FJVMQPWDBPFKLD-UHFFFAOYSA-N	413.146	3.794	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21	587391830	ZKCZFNXQFIJNFS-HSZRJFAPSA-N	416.389	3.644	5	1	HHBF	
Cc1cc([N+](=O)[O-])nn1[C@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587662089	XISKAVPVFKLZEC-CYBMUJFWSA-N	421.388	3.517	5	1	HHBF	
CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586921546	CBTQBIAPPYIOGM-UHFFFAOYSA-N	410.249	3.694	5	1	HHBF	
COc1cccc2c(=O)c3c(OC[C@H]4CS4)cc(OC[C@H]4CS4)cc3oc12	198496330	JKMAGCYHUGRTJH-STQMWFEESA-N	402.493	3.943	5	1	HHBF	
O=C1C[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1	13521547	HODQQHIDWRQCIM-WWNPGLIZSA-N	403.438	3.690	5	1	HHBF	
COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	36473689	FPLKPCDFYRVZMC-KRWDZBQOSA-N	413.294	3.841	5	1	HHBF	
Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1	82135248	ASRWWXZMNPAZGI-UHFFFAOYSA-N	407.430	3.801	5	1	HHBF	
COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O	587419982	VJXMRJOHNZVRLA-DJJJIMSYSA-N	416.227	3.955	5	1	HHBF	
C[C@@H]1CCCN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1	2457506	XSRGLQSRXPRKSS-JLTOFOAXSA-N	403.479	3.545	5	3	HHBF	
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)N2CCCCC2)cc1	35997548	ZRZPADJCBAXTCO-UHFFFAOYSA-N	418.475	3.531	5	1	HHBF	
COc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Cl	586928242	ZWTYNMIKFCDZME-UHFFFAOYSA-N	416.242	3.857	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cccc(Oc4nn(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O	587434357	UBZNLILTRTYHTN-MGPUTAFESA-N	407.382	3.618	5	1	HHBF	
COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl	587264575	NUXDBXDEEDHPSR-PWJLMRLQSA-N	421.797	3.575	5	1	HHBF	
O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c(CO)oc2cc(Br)cnc12	587276793	WGFIVFBDDXRYSU-UHFFFAOYSA-N	413.130	3.500	5	1	HHBF	
CCOC(=O)[C@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12	100665508	GTQDBWCKNHFWKA-PEHAOLQFSA-N	406.460	3.960	5	1	HHBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)CC1	963108330	OULOGHCBSOYXKN-JPYJTQIMSA-N	410.493	3.596	5	1	HHBF	
O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccccc3OC(F)(F)F)C2)ccc1CO	1857772898	AJMFYYDAJDVMJJ-INIZCTEOSA-N	411.380	3.672	5	1	HHBF	
COC(=O)c1cccc2nc3cc(C(=O)c4ccccc4OC(C)=O)ccc3nc12	103221452	LWIBBDAYRQOVNQ-UHFFFAOYSA-N	400.390	3.726	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587432698	KUZUMFGASSDJHN-NYHFZMIOSA-N	406.394	3.891	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc([N+](=O)[O-])cc12	587574651	GEDPSSBJBNDYCD-SIKLNZKXSA-N	405.362	3.940	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)CCC3	43023829	DIOSBQOHTUDCSB-ZDUSSCGKSA-N	409.445	3.941	5	1	HHBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C(C)=O)CCN1C3	72139637	WECGVXYSIKRZES-INIZCTEOSA-N	420.509	3.608	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587748900	BKJRGIBFGYUANB-XLFHBGCDSA-N	423.238	3.987	5	1	HHBF	
O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc3ccccc3cc12	12343984	ZQASTKQBKPBKIR-UHFFFAOYSA-N	401.447	3.835	5	1	HHBF	
CC(C)Oc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1	587262516	BHQYBVGVMSUIPF-UHFFFAOYSA-N	423.473	3.741	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587753332	VBLGKZIBPBOTFK-LZVRBXCZSA-N	423.238	3.891	5	1	HHBF	
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	587232128	UJHABBPGOVRLEP-HUUCEWRRSA-N	403.486	3.696	5	1	HHBF	
CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1	587267847	SIYUUGNQXHAECR-VIFPVBQESA-N	422.239	3.525	5	1	HHBF	
COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(O)c1	299840860	ZQGRKIOAZJITGH-GOSISDBHSA-N	411.417	3.866	5	1	HHBF	
O=C(O)CCN(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Cc1ccccc1	587193390	IXFZKCCULREPGM-UHFFFAOYSA-N	402.838	3.644	5	1	HHBF	
COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	100018901	FXLASALIDJKUIQ-ZMESVYRVSA-N	418.446	3.811	5	3	HHBF	investigational
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCCCCCCCCC(=O)O	96094911	AHBCTRVDGQMKHC-SFHVURJKSA-O	402.552	3.845	5	1	HHBF	in-vitro
O=[N+]([O-])c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1	586946974	WWCDYSNJQBUROF-UHFFFAOYSA-N	420.497	3.740	5	1	HHBF	
CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1	587532054	MMTFNQAGGNGRDS-LJQANCHMSA-N	401.440	3.584	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587754077	XOUAMTNMERTNFG-BCTVWOGZSA-N	405.227	3.996	5	1	HHBF	
COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(OC)c([N+](=O)[O-])c1	587261155	WLKKXHFWDFCFHB-UHFFFAOYSA-N	403.704	3.569	5	1	HHBF	
CC[C@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@H]1[C@@H]1[C@H](O)[C@]4(C[C@H]12)c1ccccc1N(C)[C@H]34	169363273	JWNJXPKXYBPWQH-PDVHMEKGSA-N	407.582	3.713	5	1	HHBF	
O=[N+]([O-])c1cnc(/C=C/c2ccccc2)n1CCn1cc(COc2ccccc2)nn1	1857766747	RHNWBADBUCZZSZ-VAWYXSNFSA-N	416.441	3.832	5	1	HHBF	
CC[C@@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1	49112069	PHJGKALEAVCXAU-CQSZACIVSA-N	419.485	3.561	5	1	HHBF	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134588	SDRGMDUIYFVEIA-DNVCBOLYSA-N	409.490	3.961	5	1	HHBF	
Cc1c(Br)cnc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12	587117805	WTKIGSYFTHXLQV-UHFFFAOYSA-N	419.161	3.509	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744839	GBYVKGQKGNTJNZ-MLCYQJTMSA-N	423.238	3.553	5	1	HHBF	
CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260490	SCYVWAOSIHLFRW-SRVKXCTJSA-N	424.295	3.773	5	1	HHBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)cc1[N+](=O)[O-]	587860309	QPTYPQILSRVHTP-UHFFFAOYSA-N	410.217	3.586	5	1	HHBF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2Oc2ccc([N+](=O)[O-])cc21	962926391	BXSJITNVFRSLFK-XMMPIXPASA-N	415.449	3.840	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(C)ccnc2[nH]1	586948829	PBWZTOZFWYBGCQ-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587079651	JVGMKZLHLFHBDO-NSHDSACASA-N	400.782	3.757	5	1	HHBF	
O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587167293	LOPLGIMERDQNHS-CQSZACIVSA-N	414.353	3.887	5	1	HHBF	
Cc1cc([N+](=O)[O-])nn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587341056	IPEGRVPGMWCUEK-FPOVZHCZSA-N	411.389	3.762	5	1	HHBF	
C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	587276578	MHDWKTHJCGZMKA-LURJTMIESA-N	420.145	3.938	5	1	HHBF	
CC(C)C[C@@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553704	WQYYIHSCYVKVIN-INIZCTEOSA-N	410.861	3.628	5	1	HHBF	
N=C(N)SCc1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1CSC(=N)N	84689897	OHUAQALALMJPKJ-UHFFFAOYSA-N	409.468	3.780	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnnn2CCCN2CCC(Cc3ccccc3)CC2)cc1	1772607615	YGUVPKATDJVEID-UHFFFAOYSA-N	406.490	3.593	5	1	HHBF	
COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1	587264980	BEIPAGGROXGVAC-QMMMGPOBSA-N	419.781	3.992	5	1	HHBF	
COC(=O)c1ccc(Oc2ccc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3c2)cc1	587273684	NPJBRVOOZZUDGF-UHFFFAOYSA-N	421.413	3.879	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O	587423203	SDWXXYVLLVJUAG-APPDUMDISA-N	407.325	3.702	5	1	HHBF	
COc1c(O)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587746326	MQZFZUYOZINZGN-ANRSDYALSA-N	411.227	3.834	5	1	HHBF	
CC(C)(C)OC(=O)NCc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC1OCCO1	587646915	MXTWHYBTNQAXTK-UHFFFAOYSA-N	405.451	3.796	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-]	587865537	AVFQGYFGVFAGDX-UHFFFAOYSA-N	423.351	3.606	5	1	HHBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)nc1C(F)(F)F	587118976	SRSSYZOYWHDYOG-UHFFFAOYSA-N	423.742	3.845	5	1	HHBF	
COC(=O)c1cccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c12	587267765	QJQZNDXOXFLVML-UHFFFAOYSA-N	405.414	3.786	5	1	HHBF	
COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12	587643880	KEBYNAZALHRAIB-UHFFFAOYSA-N	403.188	3.861	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O	587414878	YCEUQQNPNWWUEY-BTDLBPIBSA-N	406.188	3.560	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587747912	STSNTWQWXXSWLB-PWJLMRLQSA-N	409.211	3.638	5	1	HHBF	
O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587203096	NNNFBRQXEOZRFR-AWEZNQCLSA-N	418.793	3.567	5	1	HHBF	
Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl	587265781	XHKHUZXOQBDKBQ-XXFAHNHDSA-N	405.798	3.875	5	1	HHBF	
C[C@](O)(COc1ccc(F)cc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13580991	RHCVZGQVLLSQNG-INIZCTEOSA-N	420.290	3.660	5	1	HHBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82214834	UVTHNRLJDYMVOP-GJZGRUSLSA-N	409.490	3.674	5	1	HHBF	
COc1cc(O)c2c(=O)c3c(OC)c4c(c(OC)c3oc2c1OC)OC(C)(C)C=C4	15148365	ZDTZJKWWYCZWNK-UHFFFAOYSA-N	414.410	3.870	5	1	HHBF	endogenous,in-man
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2	587030788	IHIHGYQRVSCQQF-TXEUWIOXSA-N	416.488	3.993	5	1	HHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263361	LWFCZEWWTTTYOO-JEZHCXPESA-N	400.660	3.639	5	1	HHBF	
CCS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1	587269019	HFUKYAKFJIYLHU-UHFFFAOYSA-N	400.460	3.532	5	1	HHBF	
S=C(NCc1ccccc1)N1CCN(c2ncnc3cc4ccccc4cc23)CC1	13528791	QHNNEXUIPARIOP-UHFFFAOYSA-N	413.550	3.980	5	1	HHBF	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1	587124617	NNJAYSDEXGNYMJ-QTTZVWFDSA-N	411.300	3.550	5	1	HHBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc([N+](=O)[O-])cn1	587860474	UYXPBYRWOFDJRS-UHFFFAOYSA-N	410.217	3.701	5	1	HHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3	587267397	YGYVRQVVNRFJGJ-VOJFVSQTSA-N	411.418	3.792	5	1	HHBF	
CC[C@H](OC)[C@@H]1CCC[C@@H]2[C@@H]3C(=CCC[N@@+]12[O-])OC(=C1OC(=O)C(C)=C1OC)[C@@H]3C	2356311697	AZADMFYAIAVDAJ-HYRDXYLVSA-N	419.518	3.906	5	1	HHBF	
COc1ccc([C@@H]2CC(Nc3nc4ccc([N+](=O)[O-])cc4s3)=NN2C(C)=O)cc1	45257405	XXJORWRFOBWAIU-INIZCTEOSA-N	411.443	3.932	5	1	HHBF	
COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O	587577467	SFUGHHKIPBOKFP-DYESRHJHSA-N	409.350	3.718	5	1	HHBF	
O=C1Nc2c(cc(F)c(F)c2[N+](=O)[O-])[C@]12NCCc1c(Cl)cc(Cl)cc12	963101336	AQAPBHCBMGRKCY-INIZCTEOSA-N	400.168	3.521	5	1	HHBF	
O=C(c1ccn(COc2ccccc2[N+](=O)[O-])n1)n1nc2cc1Oc1ccc(F)cc1-2	587875878	UJRROINPXBTGEM-UHFFFAOYSA-N	421.344	3.625	5	1	HHBF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586936586	IXVCRQRSWNCYOV-HNNXBMFYSA-N	408.867	3.800	5	1	HHBF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1	586950079	PBBDQQAMWGYEEH-UHFFFAOYSA-N	409.427	3.642	5	1	HHBF	
Nc1ccc([N+](=O)[O-])cc1-c1nc2cccc3c2n(c1=O)[C@H](c1ccccc1)CO3	1772606883	ZNODOLFSZOXKTE-SFHVURJKSA-N	400.394	3.536	5	1	HHBF	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587235744	QNGCRFVTTFNIPZ-GHMZBOCLSA-N	405.411	3.930	5	1	HHBF	
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	38853476	JGIVQCXQTGYATL-CQSZACIVSA-N	423.516	3.757	5	1	HHBF	
COc1c(OC)c(OC)c2c(=O)c3c(O)c4c(cc3oc2c1OC)OC(C)(C)C=C4	1857561357	HTKCMAWVRUHFSK-UHFFFAOYSA-N	414.410	3.870	5	1	HHBF	
CC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1	586986502	YEFZTHNFLBPFKX-OAHLLOKOSA-N	403.236	3.654	5	1	HHBF	
CCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259122	ALSVGBOGWXKQDJ-SDDRHHMPSA-N	424.295	3.775	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1	587261904	DVZSMTHSLICULV-SNVBAGLBSA-N	400.347	3.731	5	1	HHBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	587511576	HVPJMEVCMZPKFK-QHCPKHFHSA-N	421.497	3.932	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1	587264221	DHWSDUHDNPCPFX-JTQLQIEISA-N	411.353	3.877	5	1	HHBF	
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2c(CN3CCOCC3)cc(Cl)cc12	103216554	WOTMIZKGRNKPAC-UHFFFAOYSA-N	400.818	3.854	5	1	HHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587110202	VXTLOXZTICZYRP-UHFFFAOYSA-N	411.252	3.897	5	1	HHBF	
CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2cccc(-c3ccccc3)c21	962661902	AVMYNRCZZIQZAW-HSZRJFAPSA-N	422.506	3.696	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCO3	587054352	JVATZZNHZTZNAK-KRWDZBQOSA-N	416.821	3.980	5	1	HHBF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	587230559	HWCNFXQQPPWHNT-LSDHHAIUSA-N	403.486	3.696	5	1	HHBF	
O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)n1nc2cc1Oc1ccc(F)cc1-2	587875056	MIINTTKZBQZIQT-UHFFFAOYSA-N	405.345	3.636	5	1	HHBF	
CC1(C)C=Cc2c(c(C[C@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1	87529363	IMTVDLTVVRHMPA-NYHFZMIOSA-N	424.449	3.622	5	1	HHBF	in-vitro
COc1cncc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587053173	CGHFJPWEEXMNIJ-OAHLLOKOSA-N	403.826	3.655	5	1	HHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1	587265558	FYJLMZGMXIRLBA-HWPZZCPQSA-N	414.422	3.606	5	1	HHBF	
COc1cc(C(C)=O)c(OC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C	587943883	RHEIQXZKSMPKNU-UHFFFAOYSA-N	401.188	3.815	5	1	HHBF	
COc1ccc(S(=O)(=O)Nc2ncc(-c3cccc([N+](=O)[O-])c3)s2)cc1OC	299866386	OTMNCEWWUNZMED-UHFFFAOYSA-N	421.456	3.536	5	1	HHBF	
Cc1ccccc1-c1cc(C(=O)O)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	36387276	RZMABDKTFBDVMD-INIZCTEOSA-N	406.398	3.658	5	3	HHBF	
Cc1ccc(-n2cnnc2SCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1Cl	586968431	RMQWTKIVALFYHX-UHFFFAOYSA-N	401.839	3.701	5	1	HHBF	
Cc1onc(-c2nc3c(F)c(F)c(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080465	VRWLECKGMJSUIW-UHFFFAOYSA-N	412.715	3.750	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1	587862778	IYIAKJFLZKZIFE-UHFFFAOYSA-N	423.351	3.758	5	1	HHBF	
COc1ccc(OCCOCCOc2ccc3nc4ccc(=O)cc-4oc3c2)cc1	199629755	FHBGVQAYIINSPE-UHFFFAOYSA-N	407.422	3.776	5	1	HHBF	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587043685	UEIOLBLZEOOPFK-SNVBAGLBSA-N	413.297	3.854	5	1	HHBF	
Cc1nn(Cc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)c(C)c1[N+](=O)[O-]	587875581	RGYGGHTWKMVMTC-UHFFFAOYSA-N	423.360	3.846	5	1	HHBF	
CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	40828564	USKYFSGILQIYQA-INIZCTEOSA-N	404.785	3.654	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1[N+](=O)[O-]	587082780	VYVOKLFQRLDEAA-UHFFFAOYSA-N	414.765	3.933	5	1	HHBF	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O	587748834	WTJLRUCXWTXFDA-QPFGOUBPSA-N	411.227	3.834	5	1	HHBF	
Cc1ccc([N+](=O)[O-])c([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1	963522100	DVYNRGVZKYNZIB-CYFREDJKSA-N	418.449	3.808	5	1	HHBF	
CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C	4294951	ZDELKZWYCZVJOB-RTBURBONSA-N	407.467	3.714	5	1	HHBF	
O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1	40848294	QODQOVMTJKHGJR-UHFFFAOYSA-N	422.466	3.935	5	1	HHBF	
Nc1c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c(=O)n1-c1cccc(C(=O)O)c1	1653322	ITUFEOCGTCCKPM-UHFFFAOYSA-N	401.378	3.846	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587389087	IZEMTJMQJZIOFA-QHCPKHFHSA-N	416.389	3.644	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587577658	UAUNGQAQAQKGBS-YLJYHZDGSA-N	408.322	3.912	5	1	HHBF	
Cc1noc(C)c1-c1ccc(C[C@H](O)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1	1857640261	QVYIEOFWYKWXJF-FQEVSTJZSA-N	405.414	3.723	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C/c1ccc(OCc2ccccc2)cc1	53314631	JONMXSMABKQCRS-FMIVXFBMSA-N	407.426	3.935	5	1	HHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1	586974902	XQZQFXPFTPMEHF-UHFFFAOYSA-N	406.489	3.534	5	1	HHBF	
CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	1857584250	IZINULBQKQVBIU-UHFFFAOYSA-N	418.258	3.916	5	1	HHBF	
COc1cc2oc(=O)c3oc4c5c(cc(O)c4c(=O)c3c2cc1OC)OC(C)(C)C=C5	14768755	CTZYCWHOPAEGRU-UHFFFAOYSA-N	422.389	3.960	5	1	HHBF	biogenic
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1nc2ccccc2o1	1857646355	BTPOPQYVHJCXEY-UHFFFAOYSA-N	413.440	3.985	5	1	HHBF	
CC(C)C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	1772599374	TYDCYAYSUZPKGW-ONNQBUSKSA-N	405.495	3.649	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135394	ZTKLDZLTURUPGV-HZPDHXFCSA-N	409.490	3.770	5	1	HHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1	586920524	TVZKUUKVMCVUIK-UHFFFAOYSA-N	403.313	3.603	5	1	HHBF	
Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)c1C	586947621	WMRSUCXQFFQNQY-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(O)c2[nH]1	586948341	GZNMJNORLYLNNF-UHFFFAOYSA-N	424.438	3.953	5	1	HHBF	
COc1cc([N+](=O)[O-])ccc1C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587576410	OKCRFSOHAKPDSG-UXHICEINSA-N	407.378	3.882	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587656187	HFPIPHMSZDWRAY-UHFFFAOYSA-N	407.332	3.938	5	1	HHBF	
CC[C@H](N)COc1cncc(-c2cc3c(cnc4cc(OC)c(OC)cc43)c(N)n2)c1	49784558	PHJGKALEAVCXAU-AWEZNQCLSA-N	419.485	3.561	5	1	HHBF	
CCN(CC)c1ccc2nc3c4ccccc4/c(=N\CCNC(=N)N)cc-3sc2c1	103257752	WIWBXVGCAPSNIT-XHPQRKPJSA-N	418.570	3.784	5	1	HHBF	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1	586930180	AJZHTUGYKGXFCI-UHFFFAOYSA-N	423.454	3.667	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(=O)OC)c2[nH]1	587264817	TWTLYAXQNFJWAK-NSHDSACASA-N	413.386	3.609	5	1	HHBF	
COc1ccc([C@@H](C)NC(=O)c2cc3c(ccc4c(C)cc(=O)oc43)oc2=N)cc1	653809959	CEBRFHRDNVFBOY-CYBMUJFWSA-N	404.422	3.827	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587753331	VBLGKZIBPBOTFK-DYBLOJMWSA-N	423.238	3.891	5	1	HHBF	
O=[N+]([O-])c1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1	1772581969	GMPAHBBUVIFYBC-UHFFFAOYSA-N	403.332	3.754	5	1	HHBF	
CCOC(=O)c1ncn2c1CN=C(c1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1-2	95552715	OPVHYBOVYHAOJC-UHFFFAOYSA-N	410.817	3.962	5	1	HHBF	
COC1=C[C@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1	195368438	WYGAYLIPQHONKL-JPEVHGAISA-N	410.474	3.526	5	1	HHBF	
CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586921892	HJYUBVATTICWPE-UHFFFAOYSA-N	410.249	3.694	5	1	HHBF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])cccc2[nH]1	587000258	PICKYJSRVHIXNM-UHFFFAOYSA-N	402.160	3.713	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1	587269666	LQJYKHDVQQEZJS-UHFFFAOYSA-N	403.801	3.678	5	1	HHBF	
CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2ncc([N+](=O)[O-])s2)cc1	95554434	CRKRHEBTJCBCJL-HNNXBMFYSA-N	423.516	3.757	5	1	HHBF	
O=C(NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(F)cc1	45299924	XZPMTLNPJCVDJA-UHFFFAOYSA-N	406.373	3.918	5	1	HHBF	
COc1cc(C(=O)Nc2ccc(-c3cccnc3)cc2[N+](=O)[O-])cc(OC)c1OC	82152249	HUAMGZGGMJBJPL-UHFFFAOYSA-N	409.398	3.935	5	1	HHBF	
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCN1CCOCC1)C2	473154661	JYEVOWRQOSGRPW-IBGZPJMESA-N	417.509	3.683	5	1	HHBF	
COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573490	CNYKMALGYINWGV-NQIIRXRSSA-N	421.361	3.790	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	587577330	RWFPTRLZWIZHEX-NQIIRXRSSA-N	421.361	3.790	5	1	HHBF	
CN(C)c1ccc2c(-c3cc(N)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1	71789489	HJAKLXHVIVAHAX-UHFFFAOYSA-O	402.474	3.583	5	1	HHBF	
COc1cc(Br)cc(C=O)c1OCc1nc2cccc([N+](=O)[O-])c2[nH]1	586980545	WUPQWHJNZOGISF-UHFFFAOYSA-N	406.192	3.634	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1	587118423	PVMMYQPAOIVUTJ-UHFFFAOYSA-N	409.246	3.942	5	1	HHBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21	587745242	GZMUIWLSSJEXFQ-ADLMAVQZSA-N	409.255	3.921	5	1	HHBF	
CCOC(=O)N1CCN(CCCOc2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1	13859966	KNMJAZUTBMPTPA-UHFFFAOYSA-N	413.474	3.805	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2	66251275	QDFRLUNBIAQWHV-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
CC(C)Oc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1	587266742	NYJQICXCRPTSRI-ADLMAVQZSA-N	415.406	3.701	5	1	HHBF	
O=C(Nc1cccc(N2CCN(Cc3ccccc3)CC2)c1)c1ccc([N+](=O)[O-])o1	27079769	ZTOUMZNDBOHTBT-UHFFFAOYSA-N	406.442	3.762	5	1	HHBF	
Cn1c(=O)c2cc(O)ccc2c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc21	40413513	OEIQJASFNKOLHW-UHFFFAOYSA-N	416.433	3.667	5	1	HHBF	
Cc1oc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1[N+](=O)[O-]	587269113	QDFZPOVUXBAMJQ-UHFFFAOYSA-N	402.002	3.960	5	1	HHBF	
COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Br)cc1	587644541	ZMGYVZDOOLETIO-UHFFFAOYSA-N	403.188	3.856	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1	587265647	GSEOVKHAPYAOOR-ZETCQYMHSA-N	407.184	3.710	5	1	HHBF	
Cc1cnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1	586947981	CDTVOUJEIVCTMJ-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)ccc([N+](=O)[O-])c21	587389082	IZEMTJMQJZIOFA-HSZRJFAPSA-N	416.389	3.644	5	1	HHBF	
COc1ccc([C@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1857565702	SVMNZIAURFYTRU-MJGOQNOKSA-N	401.444	3.505	5	1	HHBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)nc1C(F)(F)F	587117369	CFCBSAWRRKLVTN-UHFFFAOYSA-N	423.742	3.845	5	1	HHBF	
C[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276072	IUODKXNGFYCIRZ-ZCFIWIBFSA-N	415.045	3.802	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(C(F)(F)F)cc3)ccn1)C2	72124382	OUBHODVLXSFGGC-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587273748	LGLFEBRHRHLMIU-UHFFFAOYSA-N	420.145	3.685	5	1	HHBF	
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)c1coc2cc([N+](=O)[O-])ccc12	587280186	MZWOWSNVXYDUHQ-UHFFFAOYSA-N	413.226	3.993	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587752876	UCICFOAXWYPURY-RBHXEPJQSA-N	405.227	3.996	5	1	HHBF	
COC(=O)c1cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc([N+](=O)[O-])c1	961616177	RFGAHQMSWGOVSY-QGZVFWFLSA-N	417.259	3.912	5	1	HHBF	
Nc1ncc(-c2cn(Cc3ccc([N+](=O)[O-])cc3)c3c(F)cc(F)cc3c2=O)s1	1772580019	GVQJERKWVUWDOZ-UHFFFAOYSA-N	414.393	3.942	5	1	HHBF	
COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3[N+](=O)[O-])C2=S)cc1Cl	1857753851	PGFODBOFWLOOFN-UHFFFAOYSA-N	409.826	3.530	5	1	HHBF	
COc1ccccc1N1CCN(CC[C@H]2CCc3ccc([N+](=O)[O-])cc3C2=O)CC1	103233598	UPGNMHWUCFSKGJ-GOSISDBHSA-N	409.486	3.561	5	1	HHBF	
O=C(CSCc1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccc(C(F)(F)F)cc1	587112878	FYEGCYQFCPPAJC-UHFFFAOYSA-N	411.365	3.757	5	1	HHBF	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-]	587388641	DZGYYCXTMUTGLG-GOSISDBHSA-N	424.413	3.726	5	1	HHBF	
C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963229619	PPTSZIYEGSLMCI-WIYYLYMNSA-N	411.845	3.853	5	1	HHBF	
O=[N+]([O-])c1ccc(Cc2nc3cccc(I)c3[nH]2)c([N+](=O)[O-])c1	587264235	KNSDJAODQFNUDQ-UHFFFAOYSA-N	424.154	3.575	5	1	HHBF	
Cc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl	587265775	XHKHUZXOQBDKBQ-JDNHERCYSA-N	405.798	3.875	5	1	HHBF	
CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC3	169686292	RUOMRVIJJPUZCT-MSOLQXFVSA-N	408.458	3.868	5	1	HHBF	
COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587417910	FREHTWGKNGJUHG-RBZFPXEDSA-N	416.817	3.792	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)c1[N+](=O)[O-]	587268230	XXHWOTNJYFXWKC-UHFFFAOYSA-N	403.402	3.582	5	1	HHBF	
COc1cccc([C@H](O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1OC	40421913	ODACUDFAGNOKBR-OAQYLSRUSA-N	400.475	3.600	5	1	HHBF	
COc1c(F)cc(F)cc1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1	45286870	BTBLSMQLJYZGLZ-HNNXBMFYSA-N	417.368	3.723	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)CC2=O	587472364	HJVNLWGKAZQNSE-NRFANRHFSA-N	412.442	3.796	5	1	HHBF	
COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cnn(-c2ccccc2)c1C	587646999	BTJYHJAYJPCMMW-UHFFFAOYSA-N	404.382	3.588	5	1	HHBF	
COc1ccc([C@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	43075698	CRMROGYPHOVPFX-ICSRJNTNSA-N	415.471	3.895	5	1	HHBF	
CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1	586936315	LJNUHZOTBJVIQX-SNVBAGLBSA-N	408.867	3.868	5	1	HHBF	
COc1ccc(Cc2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)cc1OC	40564362	DPSANNQTAODFLE-UHFFFAOYSA-N	417.421	3.902	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2	115609095	KKUKKUOZYLQOMW-GFCCVEGCSA-N	420.347	3.960	5	1	HHBF	
Cc1nn(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-]	587748541	VMPUDQBPWCDDGV-VVVCHXIZSA-N	411.275	3.759	5	1	HHBF	
CC(C)=CCc1c(O)cc2oc3c(O)cc4c(c3c(=O)c2c1O)C[C@@H](O)C(C)(C)O4	15252018	VPNBQMUAQMFCCW-QGZVFWFLSA-N	412.438	3.646	5	1	HHBF	endogenous,in-man
COCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1	82135467	AOFUFVOSJXQGBT-UHFFFAOYSA-N	413.478	3.515	5	1	HHBF	
CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)s1	82163703	WHPDCJONZMYRMX-UHFFFAOYSA-N	411.487	3.699	5	1	HHBF	
O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccc([N+](=O)[O-])cc1	103211744	SUNLRPWVCMGOLN-FQEVSTJZSA-N	412.409	3.858	5	1	HHBF	
O=c1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)sc2ccc([N+](=O)[O-])cc12	1772641476	KGZSXPVHRVAIGY-UHFFFAOYSA-N	416.890	3.540	5	1	HHBF	
COc1ccc(-c2n[nH]c3c2-c2cc(OC)c(OC)c(OC)c2CC3)cc1[N+](=O)[O-]	1857601492	FEYGLWRZDHHJJK-UHFFFAOYSA-N	411.414	3.785	5	1	HHBF	
Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]	28769017	VDFPZVOQINDCHD-AOMKIAJQSA-N	407.426	3.557	5	1	HHBF	
COC(=O)C1=C(C)N=C(SC)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	96272057	IAWAKCIJMCLLBY-HNNXBMFYSA-N	407.448	3.663	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	587573088	BALDVQUMKPWAJJ-WIYYLYMNSA-N	407.334	3.732	5	1	HHBF	
O=C(COc1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1)Nc1ccccc1F	587155466	ZECLIABVGIWWDZ-UHFFFAOYSA-N	407.361	3.690	5	1	HHBF	
Cc1ccc(CNc2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1	82135147	AIGXAQOYIAXHOX-UHFFFAOYSA-N	407.430	3.705	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O	587431355	DJFBHMOGFYJYDG-YWZLYKJASA-N	407.382	3.618	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587750345	HTNBVVNQQGLSAV-DYBLOJMWSA-N	423.238	3.891	5	1	HHBF	
COC(=O)[C@@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	169730094	ODEUVICSUAVJHG-ZBFHGGJFSA-N	405.407	3.503	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1	587343532	UGEFBVYFOKKXOR-PGRDOPGGSA-N	420.352	3.646	5	1	HHBF	
O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587575060	HYMWGTMGJMNREY-LAUBAEHRSA-N	407.334	3.521	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Cl	587861771	VICRPDBCVZAQAX-UHFFFAOYSA-N	415.715	3.551	5	1	HHBF	
CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC3	13837584	CNDPWIJZPHZPKX-GOSISDBHSA-N	409.442	3.812	5	1	HHBF	
CCN(CC)CCn1[nH]c2c3cc(OC(C)=O)ccc3nc3c([N+](=O)[O-])ccc1c32	27102324	JGCDHRGLUGRYTM-UHFFFAOYSA-N	409.446	3.846	5	1	HHBF	
N[C@@H](CCc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587270495	KTTVERUHYHEEJG-ZDUSSCGKSA-N	408.245	3.677	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1	587343530	UGEFBVYFOKKXOR-GCJKJVERSA-N	420.352	3.646	5	1	HHBF	
Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-]	587572882	ABLAFQYYSAFYEI-LAUBAEHRSA-N	409.398	3.534	5	1	HHBF	
C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587576984	QNETYDJUOQFNQY-XMSQKQJNSA-N	405.362	3.904	5	1	HHBF	
CCOC(=O)CCNc1cc(Nc2ccc3nc(O)[nH]c3c2)c(Cl)cc1[N+](=O)[O-]	1772645930	YWQQQESBZWBLHQ-UHFFFAOYSA-N	419.825	3.939	5	1	HHBF	
CC(C)(O)c1[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc2c1I	28818434	IYYCDOYORBOFJB-UHFFFAOYSA-N	414.121	3.927	5	1	HHBF	
COC1=C[C@@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1	45256530	WYGAYLIPQHONKL-SDYXESRWSA-N	410.474	3.526	5	1	HHBF	
Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21	377819907	PAQBHXDEBBJUMZ-UHFFFAOYSA-N	422.466	3.844	5	1	HHBF	
COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O	587434629	XGPNFCLOBSRKRS-ILZSLAIUSA-N	418.449	3.856	5	1	HHBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577955	VBPHZBWPDKBROM-DENIHFKCSA-N	405.362	3.747	5	1	HHBF	
COc1ccccc1CCNC[C@H](O)COc1cccc2c(=O)c3ccccc3oc12	1857538487	FWWXMKNXNARAHK-SFHVURJKSA-N	419.477	3.527	5	1	HHBF	
Oc1ncnc2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCCCC4)cc3)c12	40938659	ULQFVWYUTVJCQF-UHFFFAOYSA-N	406.471	3.699	5	1	HHBF	
COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N+](C)(C)CC3	95913693	UKCPFYZTMTVAHY-INIZCTEOSA-N	400.495	3.626	5	1	HHBF	biogenic,in-vitro
COc1cc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1[N+](=O)[O-]	587263278	PWPFZSBBBBALQB-UHFFFAOYSA-N	405.414	3.890	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl	586927190	UEWKWHVCHZADMK-UHFFFAOYSA-N	421.649	3.897	5	1	HHBF	
COC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587578276	VRZPSWAWIDJAMO-UWJYYQICSA-N	421.361	3.790	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748475	VAZSAULPIXTPHY-BCTVWOGZSA-N	409.211	3.818	5	1	HHBF	
Cc1nc2c(-c3ccc(Br)cc3)nc3ccccc3c2c(=O)n1CC(=O)O	1857632325	ARRBGAFTUQMNMA-UHFFFAOYSA-N	424.254	3.767	5	1	HHBF	
O=C(N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1	199358527	UASZTHIZRXLNEQ-SFHVURJKSA-N	401.850	3.559	5	3	HHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)O[C@@H]2C=CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723514	FBNLROVTWWRYAA-QWFCFKBJSA-N	412.442	3.868	5	1	HHBF	
CC1CCC(NS(=O)(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)CC1	586952228	DZOVTLKJLGSBEM-UHFFFAOYSA-N	409.515	3.657	5	1	HHBF	
Cc1cc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2cc1[N+](=O)[O-]	587270812	QJBZOQGTTVILFZ-UHFFFAOYSA-N	409.402	3.708	5	1	HHBF	
COc1ccc(-n2c(SC[N+](=O)[O-])nc3sc4c(c3c2=O)CCCC4)cc1	28948790	JVHDCQVCTYIJMS-UHFFFAOYSA-N	403.485	3.661	5	1	HHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2C=CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	49088240	JCTRWHCGIWSFAF-FXAWDEMLSA-N	412.442	3.655	5	1	HHBF	
O=[N+]([O-])c1cc(CSc2nnnn2C23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1	169331305	WCHVYPYWDVVPIC-UHFFFAOYSA-N	416.463	3.707	5	1	HHBF	
COc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1C	587079761	NGYKISSCJUVRKV-UHFFFAOYSA-N	402.798	3.650	5	1	HHBF	
CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2ncc([N+](=O)[O-])s2)cc1	95554433	CRKRHEBTJCBCJL-OAHLLOKOSA-N	423.516	3.757	5	1	HHBF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O	587430628	JYMJWEFAKRWOBT-XDHUDOTRSA-N	413.385	3.839	5	1	HHBF	
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O	199358791	HMJSSBKNEVZBOT-QGZVFWFLSA-N	416.865	3.951	5	3	HHBF	
CCOC(=O)c1nc(O)c2cc3cc(OCc4ccccc4)c(OC)cc3nc2n1	26579226	CRYTWAOVCUSHDA-UHFFFAOYSA-N	405.410	3.648	5	1	HHBF	
O=C1CSc2ccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2N1	587044144	PYQXUXYUEHSIRE-UHFFFAOYSA-N	405.233	3.945	5	1	HHBF	
CCCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br	587273097	HUKIGJWWCZNKLS-UHFFFAOYSA-N	408.256	3.852	5	1	HHBF	
COc1ccc(COc2ccccc2C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	473113392	GRZJHWVDTMQERG-UHFFFAOYSA-N	411.414	3.544	5	1	HHBF	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587052640	FPMDPXDQXGIFFK-SNVBAGLBSA-N	411.643	3.835	5	1	HHBF	
Cc1onc(-c2nc3c(ccc4ncccc43)[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587078890	COMVONYSCHYCQA-UHFFFAOYSA-N	409.793	3.881	5	1	HHBF	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	587243954	CXTGGAVSLOYSMK-UHFFFAOYSA-N	422.357	3.519	5	1	HHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1	587265559	FYJLMZGMXIRLBA-MGPLVRAMSA-N	414.422	3.606	5	1	HHBF	
NC[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1	101101721	TUJUZVJICDSNLY-OKILXGFUSA-N	404.902	3.827	5	1	HHBF	
O=C(c1cccc([N+](=O)[O-])c1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660490	FRHWKBBZOBPTRE-UHFFFAOYSA-N	405.341	3.505	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O	587430385	HKBOWFCNTDHNDQ-AOMKIAJQSA-N	421.409	3.634	5	1	HHBF	
COc1ccc2oc3cc(OCCCCCCO[N+](=O)[O-])cc(O)c3c(=O)c2c1	1857629355	NMKXMADKFJJXLE-UHFFFAOYSA-N	403.387	3.808	5	1	HHBF	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1	587124616	NNJAYSDEXGNYMJ-PWCHPLFNSA-N	411.300	3.550	5	1	HHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1	587264665	PGTVFGOPDVCMIG-KWKYVRJSSA-N	409.761	3.706	5	1	HHBF	
CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12	587648506	GAXKAQQHIJTSSR-LBPRGKRZSA-N	403.435	3.977	5	1	HHBF	
O=C1c2cccc3c2c(cc2c4ccccc4sc32)C(=O)N1CN1CCNCC1	95587028	KEUUSMCMHBILBJ-UHFFFAOYSA-N	401.491	3.666	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(Br)c2[nH]1	587117901	XPZSDTMLCBYZGC-UHFFFAOYSA-N	404.146	3.806	5	1	HHBF	
Cc1csc(SC[C@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1	28106897	QOYHJQHAECSGML-AWEZNQCLSA-N	421.422	3.860	5	1	HHBF	
COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3[N+](C)([O-])CC2	155358971	UMVVGRCBELPARC-JRQMZCAUSA-N	401.459	3.581	5	1	HHBF	
NC(=O)c1cc(N2CCC(c3nc4ccc5c(c4[nH]3)CCCC5)CC2)ccc1[N+](=O)[O-]	587263627	XMKKGMIAJQFFEX-UHFFFAOYSA-N	419.485	3.833	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1	587266837	PJSKBVWBROFVAD-ZETCQYMHSA-N	407.184	3.710	5	1	HHBF	
COc1ccc(C(=O)[C@H]2CCc3c(ccc(OC)c3[N+](=O)[O-])C2)c(OC)c1OC	1857762172	YRAIXCJQKLBWSZ-ZDUSSCGKSA-N	401.415	3.617	5	1	HHBF	
CCN(CC)CCn1[nH]c2c3cc(OC)c(OC)cc3nc3c([N+](=O)[O-])ccc1c32	27527105	NMMOXHSXOMUTTO-UHFFFAOYSA-N	411.462	3.938	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1	653846505	DZHDHCCCMIAVRE-UHFFFAOYSA-N	403.332	3.754	5	1	HHBF	
COCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	100018897	FXLASALIDJKUIQ-WENBPLFZSA-N	418.446	3.811	5	3	HHBF	investigational
O=C(Nc1nc(OCc2ccccc2)c2nc[nH]c2n1)OCc1ccc([N+](=O)[O-])cc1	82153557	DQKSHGBGZOPHGE-UHFFFAOYSA-N	420.385	3.589	5	1	HHBF	
CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587050548	RYCDVGTYEWMQMY-VQHVLOKHSA-N	406.851	3.545	5	1	HHBF	
COc1ccc(CSc2nnc(-c3cc(NC(C)=O)cc([N+](=O)[O-])c3)o2)cc1	1772622594	LJJHHPVPARTNSU-UHFFFAOYSA-N	400.416	3.904	5	1	HHBF	
O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1cccc([N+](=O)[O-])c1	103210214	HTFZHKDTMWLQSC-FQEVSTJZSA-N	412.409	3.858	5	1	HHBF	
CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC1)CC2=O	587470502	KHPOXGPFONCVNM-UHFFFAOYSA-N	424.453	3.893	5	1	HHBF	
COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1	587572841	AAMNBQQIOXRVEI-WIYYLYMNSA-N	421.361	3.790	5	1	HHBF	
O=C1O[C@@]2(C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c2ccccc21	653847613	CHXIFGKFNXIKRL-JOCHJYFZSA-N	415.361	3.591	5	1	HHBF	
COCCNc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1[N+](=O)[O-]	587262603	YWNVZYZQAFNTJK-UHFFFAOYSA-N	406.240	3.662	5	1	HHBF	
Cc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1[N+](=O)[O-]	587187143	CYLZMRGRVSIKQY-UHFFFAOYSA-N	419.182	3.699	5	1	HHBF	
CC(=O)Nc1nc(C)c(-c2nn(CNc3ccc([N+](=O)[O-])cc3)c(=S)o2)s1	96914072	LTUHZZOYVZYSMQ-UHFFFAOYSA-N	406.449	3.574	5	1	HHBF	
C[C@](O)(COc1ccc(F)c(F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13580983	UTHBYPVKUDRAEM-INIZCTEOSA-N	420.290	3.660	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	587342204	MEMQFHPLGDUDDM-DENIHFKCSA-N	420.352	3.646	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12	587576879	QAOVAKSYVXUZQN-LAUBAEHRSA-N	403.350	3.880	5	1	HHBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O	587579119	YVESVHQVMWSZQI-RXVVDRJESA-N	409.350	3.718	5	1	HHBF	
Cc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(Br)cc1[N+](=O)[O-]	586980433	YXXMWGSWRLWASN-UHFFFAOYSA-N	402.130	3.969	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1	587262257	GVUUFWQOPLOXNP-SECBINFHSA-N	417.349	3.660	5	1	HHBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587573344	BGCWZJPMVOPISQ-LAUBAEHRSA-N	409.350	3.718	5	1	HHBF	
CC[C@@H](OC)[C@H]1CCC[C@H]2[C@@H]3C(=CCC[N+]21[O-])O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C	238771065	AZADMFYAIAVDAJ-ZNFYTHQNSA-N	419.518	3.906	5	1	HHBF	
CCOC(=O)C(Cc1c2ccccc2cc2ccccc12)(NC(C)=O)C(=O)OCC	1642185	YNHFVRRXXNLNJF-UHFFFAOYSA-N	407.466	3.537	5	1	HHBF	
CCOC(=O)CCOCCCOCCc1nc2cc3nc4ccccc4nc3cc2[nH]1	587568491	MOXSMNIXAFAYKQ-UHFFFAOYSA-N	422.485	3.578	5	1	HHBF	
COc1cc([N+](=O)[O-])cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O	587577469	SFUGHHKIPBOKFP-LAUBAEHRSA-N	409.350	3.718	5	1	HHBF	
O=C(CN1CCCCC1)Nc1ccc(Nc2cc(=O)oc3ccc([N+](=O)[O-])cc23)cc1	1857546608	YCLXLVCSVKUSAX-UHFFFAOYSA-N	422.441	3.869	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@](CO)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1	587331669	FCQLMYZNZHNULW-UNMCSNQZSA-N	409.369	3.686	5	1	HHBF	
CC(C)=CCC[C@@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@@H]1O	169292283	VBFDKVIOWWFFOQ-RJGXRXQPSA-N	412.438	3.649	5	1	HHBF	
O=[N+]([O-])c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1	586960879	QTBDAXUQACQIMP-DEOSSOPVSA-N	408.277	3.974	5	1	HHBF	
Cc1cc(Cl)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12	587264909	QCSACSCVPAZYGJ-XXFAHNHDSA-N	405.798	3.875	5	1	HHBF	
CCN(CC)CCN[C@@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C	28705728	TUXGAIPNOVWYBH-OAQYLSRUSA-N	424.541	3.968	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587750873	KAPJICIJDKXPIH-CQLKUDPESA-N	405.227	3.996	5	1	HHBF	
NC[C@H]1CCC[C@@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])C1	28898831	UMWYQPRNJCZAEF-UONOGXRCSA-N	404.902	3.827	5	1	HHBF	
CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	586930202	HSKMOKRXZWSMJU-UHFFFAOYSA-N	408.867	3.822	5	1	HHBF	
COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587260705	AKYMSEBYRATVBT-UHFFFAOYSA-N	413.615	3.966	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])O2	587377477	IRUJWNKIVFSRLG-IBGZPJMESA-N	403.822	3.892	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cccc([N+](=O)[O-])c1	587868955	YEHLBVXCPFVWIZ-UHFFFAOYSA-N	422.319	3.600	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2	653725609	YESKBPAVQASFBV-CQSZACIVSA-N	406.320	3.712	5	1	HHBF	
COCCOc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1[N+](=O)[O-]	587265731	QWMVUJNBZNCJJB-UHFFFAOYSA-N	419.441	3.995	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82214835	UVTHNRLJDYMVOP-HUUCEWRRSA-N	409.490	3.674	5	1	HHBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	587271052	YJGRNWUZNTUWHF-JTQLQIEISA-N	401.295	3.763	5	1	HHBF	
COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2cccc([N+](=O)[O-])c12	587647369	GKBVJWLHDGBYJP-UHFFFAOYSA-N	404.382	3.593	5	1	HHBF	
CC1(C)CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])s3)c2)CC1	1772584440	NBUGFUOLOGPRHF-UHFFFAOYSA-N	423.516	3.719	5	1	HHBF	
COc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])[C@]1(C)CCN(C(=O)C3CCCC3)[C@H](C2)[C@@H]1C	115792036	LQXNITMKUOQOJB-QURLWZIUSA-N	417.462	3.753	5	1	HHBF	
O=C(O)c1ccc(-c2c3cc(F)c(=O)cc-3oc3cc(O)c(F)cc23)c(C(=O)O)c1	12504493	BRJCLSQFZSHLRL-UHFFFAOYSA-N	412.300	3.945	5	1	HHBF	in-vivo
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	587866000	SHRZPRHJQIOVKQ-NSHDSACASA-N	423.351	3.974	5	1	HHBF	
O=C(CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1cccc(F)c1	587162812	LSHBQERZGPAISE-UHFFFAOYSA-N	407.199	3.944	5	1	HHBF	
O=C(O)[C@@H]1CCCC[C@@H]1C[C@]1(c2cccc([N+](=O)[O-])c2)NCCc2ccc(O)cc21	963340054	FPGJZBCMTOGXKF-AYPBNUJASA-N	410.470	3.971	5	1	HHBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148957	BGFGCDZOJAGIKD-GASCZTMLSA-N	409.490	3.674	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@H]1O	84757501	COFDSERLUVMGOX-MZYLBHOOSA-N	412.438	3.649	5	1	HHBF	
O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccc(-c3cnc(C4CC4)o3)cc1)CC2	299819140	CZCATANHZWMWTH-UHFFFAOYSA-N	411.439	3.879	5	1	HHBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148994	QXJUUAPESWIGMC-HOTGVXAUSA-N	409.490	3.770	5	1	HHBF	
CCC(NC(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F	68573294	BNRFQGBRFFHNSU-UHFFFAOYSA-N	404.223	3.898	5	1	HHBF	biogenic
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135392	ZTKLDZLTURUPGV-IYBDPMFKSA-N	409.490	3.770	5	1	HHBF	
COc1cc(OC)c(/C=C/[S@@](=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1	84597145	LYQIIQSDPIJKQU-YIXADMSASA-N	407.444	3.549	5	1	HHBF	
COc1ccc(S(=O)(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586920597	NRQVEWVCCUEOIH-UHFFFAOYSA-N	404.451	3.642	5	1	HHBF	
CC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1	586986501	YEFZTHNFLBPFKX-HNNXBMFYSA-N	403.236	3.654	5	1	HHBF	
COC(=O)c1cc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cc([N+](=O)[O-])c1	962402009	YJCUOTPJCKWDKX-HXUWFJFHSA-N	411.483	3.929	5	1	HHBF	
O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3cccc(OC(F)(F)F)c3)C2)ccc1CO	1857773632	DOAGFBGRCSVVBV-MRXNPFEDSA-N	411.380	3.672	5	1	HHBF	
COC1=C[C@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1	58608446	WYGAYLIPQHONKL-KEQGGVEFSA-N	410.474	3.526	5	1	HHBF	
Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	587029033	GAHKVMZJZCQMSF-UHFFFAOYSA-N	412.387	3.529	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12	587574732	GYVZIWUDRGNBRB-UWJYYQICSA-N	403.350	3.880	5	1	HHBF	
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC3	35079578	QTWUJCCPMWZOOB-GOSISDBHSA-N	408.458	3.845	5	1	HHBF	
Cc1c(-c2nc3nc(Br)c[nH]c-3n2)cc(Br)cc1[N+](=O)[O-]	586980219	RYTYADRUWIMTNF-UHFFFAOYSA-N	413.029	3.713	5	1	HHBF	
O=C1C[C@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1	587003057	JPZCPODHUPRGRP-VIFPVBQESA-N	402.204	3.869	5	1	HHBF	
COC(=O)c1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1	587276897	OPEVXJMYNPALOH-NSHDSACASA-N	424.392	3.946	5	1	HHBF	
COc1ccc(-c2nc3ccc(Cl)cc3c3c(=O)n(CC(=O)O)c(C)nc23)cc1	1857748269	XWYAPLPITNOTME-UHFFFAOYSA-N	409.829	3.667	5	1	HHBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660141	CNAJHYXWBMVJSR-UHFFFAOYSA-N	403.369	3.994	5	1	HHBF	
CC(=O)Oc1ccccc1C(=O)OCCn1c2ccccc2c(=O)c2ccccc21	95594669	WOJYTUOEVCLFNG-UHFFFAOYSA-N	401.418	3.937	5	1	HHBF	
Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1	198797839	NHZZYBPOHSNUKK-UHFFFAOYSA-N	405.911	3.779	5	1	HHBF	
O=C(O)COc1ccc(-c2ccccc2)cc1C(=O)NCc1cccc([N+](=O)[O-])c1	263621259	YDJQSGAIAXGWHG-UHFFFAOYSA-N	406.394	3.655	5	1	HHBF	in-vitro
COc1cc(Br)cc(C=O)c1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1	586980533	WCVVHBLCPJXYJW-UHFFFAOYSA-N	406.192	3.634	5	1	HHBF	
CCOC(=O)N1CCN(CCCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1	13859965	QQJIHDLIMPSIHG-UHFFFAOYSA-N	413.474	3.805	5	1	HHBF	
CCOC(=O)[C@@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1c2cccc1[N+](=O)[O-]	100665516	FUOPUIXPFABMRT-RXMKSQAYSA-N	406.460	3.960	5	1	HHBF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586939782	WZDYKVQEIVSHLU-INIZCTEOSA-N	408.867	3.800	5	1	HHBF	
CCN(CC)CCN[C@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C	28705731	TUXGAIPNOVWYBH-NRFANRHFSA-N	424.541	3.968	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12	587117425	RZLRXBZLCPPBLQ-UHFFFAOYSA-N	400.748	3.855	5	1	HHBF	
COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573720	CNYKMALGYINWGV-RXVVDRJESA-N	421.361	3.790	5	1	HHBF	
C=Cc1ccc(Cn2c(C)c(C(=O)NCc3cccc([N+](=O)[O-])c3)sc2=O)cc1	61927177	KJLDIIAPBRRGLJ-UHFFFAOYSA-N	409.467	3.748	5	3	HHBF	
CCOC(=O)[C@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12	100665505	GTQDBWCKNHFWKA-RAQPGAAPSA-N	406.460	3.960	5	1	HHBF	
O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(O)c2[nH]c(Cc3ccccc3)nc12	73314458	DLSARYQIXLUYAC-UHFFFAOYSA-N	416.437	3.740	5	1	HHBF	
COc1cccc2c(=O)c3c(OC[C@@H]4CS4)cc(OC[C@H]4CS4)cc3oc12	198496318	JKMAGCYHUGRTJH-QWHCGFSZSA-N	402.493	3.943	5	1	HHBF	
Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)c1C	586947635	WZFQTRYDRNLEKQ-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587577554	SQEHMTILNVODSU-DENIHFKCSA-N	420.377	3.962	5	1	HHBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N(C)C	4205029	BZIIUHIROJSEOV-MJGOQNOKSA-N	417.849	3.827	5	1	HHBF	
Cc1c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980016	MSDOQSSMXMTZON-UHFFFAOYSA-N	410.249	3.613	5	1	HHBF	
O=C(COc1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660981	KBWNZECJNSKOAK-UHFFFAOYSA-N	419.368	3.830	5	1	HHBF	
C[C@](O)(CNc1ccc(F)cc1)C(=O)Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	1772623283	HHWOHOOYBGYWEM-KRWDZBQOSA-N	400.328	3.727	5	1	HHBF	
O=C(O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O	28567921	VVUKKRHMBDMVFH-MLPAPPSSSA-N	408.775	3.629	5	1	HHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	49088244	UIIANYIDJXJZMR-OAQYLSRUSA-N	422.437	3.746	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)nn1CC(F)(F)F	587091207	CHMUNIWZTYMFHS-UHFFFAOYSA-N	413.319	3.993	5	1	HHBF	
COc1cc([N+](=O)[O-])c([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1Cl	962765147	MDYYLVPTHBPAGZ-CJNGLKHVSA-N	414.767	3.992	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1	587262232	GMRUAVYEKHVJGN-XTZNXHDOSA-N	413.390	3.546	5	1	HHBF	
O=C(O)c1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c1	1857585876	BYPWKCMZGNCIHH-CSKARUKUSA-N	403.350	3.756	5	1	HHBF	
C[C@](O)(COc1ccc2[nH]ccc2c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	12349551	PBXPUXGSQIDPMU-SFHVURJKSA-N	423.347	3.863	5	1	HHBF	
COc1cc2c(c(O)c1OC)-c1c(OC)c(OC)cc3c1[C@H](CC2)[N+](C)([O-])CC3	14645597	FUNLEDLUXZKCSJ-JRQMZCAUSA-N	401.459	3.581	5	1	HHBF	
Cc1cc(N(C)Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c([N+](=O)[O-])cc1F	587136969	MPJKQECPOPLCDD-UHFFFAOYSA-N	418.738	3.969	5	1	HHBF	
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C	1772645805	NLSDBWJLFQJRDI-UHFFFAOYSA-N	404.400	3.627	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	587575610	JRMMJRJYDZWCBP-PXNSSMCTSA-N	408.322	3.912	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2	653725608	YESKBPAVQASFBV-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
Cn1cc(-c2ncc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)s2)cn1	587020974	FJZYVBRHVDJRAA-UHFFFAOYSA-N	405.237	3.758	5	1	HHBF	
COc1nccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587053778	GTKRWRJKYPQXLC-AWEZNQCLSA-N	403.826	3.655	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1[N+](=O)[O-]	587126435	AYXYIWBAWYYUIW-UHFFFAOYSA-N	408.252	3.821	5	1	HHBF	
O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587575062	HYMWGTMGJMNREY-UTKZUKDTSA-N	407.334	3.521	5	1	HHBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587747472	OBEVUALHCKYCMK-XTZNXHDOSA-N	407.239	3.863	5	1	HHBF	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)NC(=O)NC(C)(C)C)cc1	35969513	AJBWMHGSVUAWPG-UHFFFAOYSA-N	423.516	3.841	5	1	HHBF	
CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc([N+](=O)[O-])cc3n2)c1	299835061	KCBXIEQXOZERAQ-UHFFFAOYSA-N	400.822	3.836	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587753366	VJMYKADUAXGOLM-NIVTXAMTSA-N	405.223	3.861	5	1	HHBF	
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)cc1[N+](=O)[O-]	29473520	UVXWCLVZYWGBDW-UHFFFAOYSA-N	400.748	3.521	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@H]1O	84756841	VBFDKVIOWWFFOQ-ZLNRFVROSA-N	412.438	3.649	5	1	HHBF	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O	199714269	MQHQZHSEXNWXGS-GOSISDBHSA-N	416.865	3.951	5	3	HHBF	
O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc(-c4ncco4)cc3)CC2)cc1	95562412	DZKJEZQWMOTXBR-UHFFFAOYSA-N	406.486	3.653	5	1	HHBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148991	QXJUUAPESWIGMC-IYBDPMFKSA-N	409.490	3.770	5	1	HHBF	
Cc1cnc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12	586925853	JQRKPCUZLWNORB-UHFFFAOYSA-N	401.231	3.552	5	1	HHBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1	587160163	JUNFCXYCNTWZHI-UHFFFAOYSA-N	418.553	3.930	5	1	HHBF	
O=[N+]([O-])c1cncc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12	586985681	ZGZSZOFQVZEVEW-INIZCTEOSA-N	402.252	3.814	5	1	HHBF	
CCOC(=O)CCCCC[C@@]1(c2ccc([N+](=O)[O-])cc2)c2nn(C)cc2CCN1C	963954516	LGRXJAZIPZGXDO-JOCHJYFZSA-N	414.506	3.573	5	1	HHBF	
CC1(C)C=Cc2c(c(O)cc3c(=O)c4c(O)c5c(cc4oc23)O[C@H](CO)C5(C)C)O1	1772578774	NPEWBWXNUSJMFK-OAHLLOKOSA-N	410.422	3.573	5	1	HHBF	
COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)CC2	587211037	KIANVJGSEOCJQY-CPNJWEJPSA-N	404.422	3.972	5	1	HHBF	
O=[N+]([O-])c1ccc2c(c1)CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F)CC2	82152338	UIGKFKRZTLDMAQ-UHFFFAOYSA-N	412.280	3.993	5	1	HHBF	
Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl	587265774	XHKHUZXOQBDKBQ-FVMDXXJSSA-N	405.798	3.875	5	1	HHBF	
CCOC(=O)C[C@@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1	587374778	JKUYDQYRCDMGAT-HXUWFJFHSA-N	418.833	3.953	5	1	HHBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O	587579120	YVESVHQVMWSZQI-WIYYLYMNSA-N	409.350	3.718	5	1	HHBF	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O	199358701	DPTATDXSOBSOHD-GOSISDBHSA-N	416.865	3.951	5	3	HHBF	
Cc1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2cc1[N+](=O)[O-]	586946400	WZXXFXXGFAUSDF-UHFFFAOYSA-N	418.456	3.580	5	1	HHBF	
COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573721	CNYKMALGYINWGV-WIYYLYMNSA-N	421.361	3.790	5	1	HHBF	
Cc1c(Cl)ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12	587263911	HWERHHQIWXVFMV-FVMDXXJSSA-N	405.798	3.875	5	1	HHBF	
O=[N+]([O-])c1cc(Br)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12	586927925	ZSAVZFVXOPLFJV-VOTSOKGWSA-N	408.233	3.678	5	1	HHBF	
Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br	586920227	OCBRRZOZDFMGLN-UHFFFAOYSA-N	410.249	3.516	5	1	HHBF	
COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl	587264576	NUXDBXDEEDHPSR-VPTHRUTESA-N	421.797	3.575	5	1	HHBF	
O=[N+]([O-])c1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1	587265490	UWDZRKVWOLDRQJ-UHFFFAOYSA-N	422.151	3.641	5	1	HHBF	
COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3c(=NCCCN(C)C)[nH]2)cc1	1857539870	RKHCSFNTXMJEBO-KPKJPENVSA-N	407.474	3.503	5	1	HHBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82214833	UVTHNRLJDYMVOP-GASCZTMLSA-N	409.490	3.674	5	1	HHBF	
COc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Cl	587078838	CARBCDCJCJXWHT-UHFFFAOYSA-N	423.216	3.995	5	1	HHBF	
COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587745197	GTXPAWNYTSMLRI-VVVCHXIZSA-N	423.238	3.907	5	1	HHBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587746149	JHLNMWJTJPIGOQ-XTZNXHDOSA-N	407.239	3.863	5	1	HHBF	
CNC(=O)c1cc(Oc2ccc([C@H]3CC(c4ccc([N+](=O)[O-])cc4)=NN3)cc2)ccn1	1857766923	RIDYWAYUVJCNDC-HXUWFJFHSA-N	417.425	3.580	5	1	HHBF	
C[C@H]1CCCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1	36067084	XSRGLQSRXPRKSS-XOBRGWDASA-N	403.479	3.545	5	3	HHBF	
CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)cc([N+](=O)[O-])c1	40979646	SMYLEYNHKLZLPJ-UHFFFAOYSA-N	408.819	3.617	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@@](c1cccc([N+](=O)[O-])c1)(c1nccn1C)CC2=O	587473100	PWOYGVVPAQMGKQ-QFIPXVFZSA-N	407.426	3.895	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C	587862595	DRLYMQAQZCWRBD-NSHDSACASA-N	423.351	3.892	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587743944	CCPXKASDFHPURW-MGNBDDOMSA-N	423.238	3.553	5	1	HHBF	
O=[N+]([O-])c1ccc(-[n+]2nc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1	29130459	SQOZHGLFJDGVHK-UHFFFAOYSA-N	423.250	3.882	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(C(F)(F)F)cc3)c1)C2	66259235	GYLPMNUELWBHCS-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@@H]1O	84757506	COFDSERLUVMGOX-PUHATCMVSA-N	412.438	3.649	5	1	HHBF	
O=C1C[C@@H](Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c2c(Br)cccc2O1	587003055	JPZCPODHUPRGRP-SECBINFHSA-N	402.204	3.869	5	1	HHBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587573341	BGCWZJPMVOPISQ-DYESRHJHSA-N	409.350	3.718	5	1	HHBF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(O)c1	587240645	NAVHRSDKNIITKC-UHFFFAOYSA-N	403.398	3.728	5	1	HHBF	
CCCc1nc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nn1-c1ccccc1F	587154324	CDONIMNDOOMWJN-UHFFFAOYSA-N	411.353	3.719	5	1	HHBF	
O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575932	LIFYWYSNSXHOLZ-DYESRHJHSA-N	407.334	3.521	5	1	HHBF	
O=C(c1cccc([N+](=O)[O-])c1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587657470	XVMDBTYYJRGYNA-UHFFFAOYSA-N	423.331	3.644	5	1	HHBF	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748734	YDZGMNFUEDVETK-ZKANADHPSA-N	411.227	3.834	5	1	HHBF	
Cc1ccnc2c1CCN[C@@]2(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccc([N+](=O)[O-])cc1	963065513	FBDQKUMCMJYEIL-QQMNAOGKSA-N	409.486	3.969	5	1	HHBF	
Cc1noc(C)c1-c1ccc(C[C@@H](O)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1	1857640262	QVYIEOFWYKWXJF-HXUWFJFHSA-N	405.414	3.723	5	1	HHBF	
CC[C@H](CO)Oc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ncn(C(C)C)c2c1	61949036	NUOMLRKKUJXDMJ-MRXNPFEDSA-N	412.446	3.927	5	3	HHBF	
COc1ccc([C@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	43075692	CRMROGYPHOVPFX-QUCCMNQESA-N	415.471	3.895	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1ccc([N+](=O)[O-])n1	587866354	YWSMNZFZUPWICR-UHFFFAOYSA-N	423.351	3.803	5	1	HHBF	
O=[N+]([O-])c1cc(Br)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12	587171081	IXPLXRQLNSIBEE-UHFFFAOYSA-N	408.183	3.830	5	1	HHBF	
CCOC(=O)CNc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1	587227684	SERXZUTXDSDWHU-UHFFFAOYSA-N	419.235	3.876	5	1	HHBF	
O=[N+]([O-])c1ccc(SC(=S)N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1	95573767	TWTJJNZVFKUGMK-UHFFFAOYSA-N	418.500	3.698	5	1	HHBF	
O=[N+]([O-])c1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)N=C3N=CNN32)c1	2914525	ICCOBLFCYKSGTC-JKSUJKDBSA-N	400.236	3.748	5	1	HHBF	
COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c(=O)n(C)c3c2cc1OC	6494543	MPXWNNCONPUOGM-UHFFFAOYSA-N	409.438	3.888	5	1	HHBF	
CCOC(=O)C1=C(OCC)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	29313227	DKLDVYLLFKKKTN-DAMBIUFKSA-N	404.419	3.770	5	1	HHBF	
COC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1	28635267	JJMGVDUEBPUOGG-QPPBQGQZSA-N	408.498	3.980	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1	42922432	SVQRIWLBQKQXMP-UHFFFAOYSA-N	400.309	3.770	5	1	HHBF	
CC[C@@H]1C[N@+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC	253633660	KXNRITUKNSFMGJ-ZYFPSHIJSA-N	414.502	3.838	5	1	HHBF	
COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2cc([N+](=O)[O-])ccc12	587647834	REANNKBUWFRZDM-UHFFFAOYSA-N	404.382	3.593	5	1	HHBF	
CCN(CC)CCn1[nH]c2c3c(OC)cc(OC)cc3nc3c([N+](=O)[O-])ccc1c32	27548295	NREYAGIJTLONDV-UHFFFAOYSA-N	411.462	3.938	5	1	HHBF	
COc1cc2cc(CN3CCC(O)CC3)c3cc(OC)c(OC)cc3c2cc1OC	103175484	XSUGMJIEFUKNOU-UHFFFAOYSA-N	411.498	3.984	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587413752	PSVDXRXVWHPGSC-DYZYQPBXSA-N	406.188	3.560	5	1	HHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587268252	YYLAHOKOOHMNSA-UHFFFAOYSA-N	409.200	3.510	5	1	HHBF	
CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C	4294955	ZDELKZWYCZVJOB-OALUTQOASA-N	407.467	3.714	5	1	HHBF	
COc1cccc([C@@H](O)C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)c1OC	40421915	ODACUDFAGNOKBR-NRFANRHFSA-N	400.475	3.600	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)c(F)cc2[nH]1	587116874	DQZLDABVHZFGHA-UHFFFAOYSA-N	422.136	3.945	5	1	HHBF	
CCc1cc(C(=O)N(Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(C)=O)n(C)n1	103184180	HXKOSDXGCMVRCH-UHFFFAOYSA-N	422.441	3.872	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C	587862575	CPIIOGRAQVGHRT-UHFFFAOYSA-N	423.351	3.639	5	1	HHBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)NC(=O)[C@H]1CCCN1C3	103273891	FWTAXUPOFINYIY-GOSISDBHSA-N	422.481	3.944	5	1	HHBF	
CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587532890	QOLGCTMQHSNWQO-GOSISDBHSA-N	401.440	3.584	5	1	HHBF	
COc1ccc(C[C@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)cc1	1857534630	OAFHICDFMDIUQI-QGZVFWFLSA-N	414.458	3.841	5	1	HHBF	
O=c1[nH]nc(O)c2cc3c(Cl)cc4c(c3c(-c3ccc5c(c3)OCO5)c12)OCO4	28117674	HLACUVUXOVNRQT-UHFFFAOYSA-N	410.769	3.560	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3cncc(I)c3)[nH]c2cc1Cl	587185766	XJPPDONLALHODZ-UHFFFAOYSA-N	400.563	3.791	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2	653726522	GCGGEVHAFARLJN-CQSZACIVSA-N	422.319	3.592	5	1	HHBF	
O=C(Nc1ccccc1)c1cc(C(=O)Nc2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1	1857587549	ZJHOIFORXRRJRH-UHFFFAOYSA-N	401.382	3.976	5	1	HHBF	
CNC(=O)c1cc(Oc2ccc(C3=NN[C@@H](c4cccc([N+](=O)[O-])c4)C3)cc2)ccn1	1857641443	UMBAEVIYFDHVBJ-HXUWFJFHSA-N	417.425	3.580	5	1	HHBF	
NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1	28898351	TUJUZVJICDSNLY-UHFFFAOYSA-N	404.902	3.827	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1	586983674	AYEKGOFSFRPVMG-HNNXBMFYSA-N	402.252	3.814	5	1	HHBF	
O=C(c1cc(Cl)ccc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12	587276369	NGVCBOSSZNAFML-UHFFFAOYSA-N	411.595	3.875	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1ccc(-c2cnc3ccc(Cl)cn23)c1	28641113	LKHIWJRTPXFWMQ-UHFFFAOYSA-N	416.846	3.910	5	1	HHBF	
COc1ccc(-c2nnsc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1	40420298	LKQFFSULSACUIR-UHFFFAOYSA-N	402.457	3.853	5	1	HHBF	
COCCN(CCOC)c1nc2cc(-c3ccc(OC)cc3)nnc2c2ccccc12	28759317	XZIYWYQOINHZRE-UHFFFAOYSA-N	418.497	3.953	5	1	HHBF	
COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	587232129	UJHABBPGOVRLEP-LSDHHAIUSA-N	403.486	3.696	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cccc(OCn4nc([N+](=O)[O-])cc4C)c1)[C@@H](C2)C3=O	587432249	VHABTMZURGQDDK-HTAPYJJXSA-N	421.409	3.634	5	1	HHBF	
COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587577698	UFYYNGAVTUIWDM-AVRDEDQJSA-N	423.377	3.892	5	1	HHBF	
COc1ccccc1C1=NN(C(=O)c2ccncc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1	653731215	KXQGADRJHZGAOI-HXUWFJFHSA-N	402.410	3.990	5	1	HHBF	
CC(=O)Oc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN3CCCC3)c2c1	27526957	NUKBKBNUXHKTPT-UHFFFAOYSA-N	407.430	3.600	5	1	HHBF	
O=[N+]([O-])c1ccc(Sc2cn(-c3ccc4c(c3)B(O)OC4)c3ccccc23)cc1	198433740	TYUAEILQBRYXOA-UHFFFAOYSA-N	402.240	3.908	5	1	HHBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21	587745681	IDKXPLRWUKUHHH-ZMZPIMSZSA-N	409.255	3.921	5	1	HHBF	
CN(C)C(=O)c1ccc2c(c1)[C@](c1cccc(F)c1)(c1cccc([N+](=O)[O-])c1)NCC2	962929660	VMACBJVOVIWNER-DEOSSOPVSA-N	419.456	3.873	5	1	HHBF	
C[N+]1(CCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCCCC1	43121797	RTOJQRGHWSPUAO-UHFFFAOYSA-O	400.502	3.807	5	1	HHBF	
COC(=O)c1ccc2nc3n(C)c4ccccc4c(N4CCCN(C)CC4)c-3c2c1	103142068	IBWGKANRTSDVBI-UHFFFAOYSA-N	402.498	3.760	5	1	HHBF	
Cc1ccccc1CN1CCCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	66156407	MYXDVMGDQLOFDW-QHCPKHFHSA-N	422.529	3.607	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CCO)cc2[nH]1	587055352	OXYVWBSKGWHNHN-GOSISDBHSA-N	416.865	3.786	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3	587261325	AYPQSJWGBMSUSX-NSHDSACASA-N	413.386	3.594	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587742801	AZQXUYZKMKNZPB-VPTHRUTESA-N	409.211	3.638	5	1	HHBF	
O=C(NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2	587034345	HROOLCJXCPYHAP-UHFFFAOYSA-N	421.276	3.714	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)O2	587378657	DEEFICMEKMKGOQ-INIZCTEOSA-N	402.794	3.683	5	1	HHBF	
NC[C@H]1CCC[C@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])C1	28898841	UMWYQPRNJCZAEF-KBPBESRZSA-N	404.902	3.827	5	1	HHBF	
COc1ccc(-c2snnc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	28820897	BGGPYTAMCXWPPJ-UHFFFAOYSA-N	403.416	3.815	5	1	HHBF	
CCOC(=O)c1nn(-c2ccccc2)c2nc3cc4nc5ccccc5nc4cc3n12	299868294	ZQSJABYTEUMYGY-UHFFFAOYSA-N	408.421	3.946	5	1	HHBF	
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c([C@@]3(C)NCCc4nc5ccccn5c43)c2)C1	962989506	RAWKQWBWHZUKSG-WAIKUNEKSA-N	405.502	3.888	5	1	HHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1	587263867	HEMXIRAYZYVJHD-UOWDBTKRSA-N	409.761	3.706	5	1	HHBF	
CC1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82149715	LSUCZUXJYDPEOW-UHFFFAOYSA-N	409.490	3.914	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CO)cc2[nH]1	587053741	GHKUBZYWSGPLAR-QGZVFWFLSA-N	402.838	3.744	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	587342220	MEMQFHPLGDUDDM-SIKLNZKXSA-N	420.352	3.646	5	1	HHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723550	WHUYBWWQPAXKBJ-IEBWSBKVSA-N	412.398	3.553	5	1	HHBF	
O=[N+]([O-])c1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)N=C3N=CNN32)c1	2914529	ICCOBLFCYKSGTC-CVEARBPZSA-N	400.236	3.748	5	1	HHBF	
COc1ccc(-c2ccc3nc(CS(=O)(=O)c4ccccc4)c([N+](=O)[O-])n3c2)cc1	96939377	ADEMCYVGAWJXDU-UHFFFAOYSA-N	423.450	3.892	5	1	HHBF	
Cc1cc(N(C)Cc2nc3c(F)cnc(Br)c3[nH]2)c([N+](=O)[O-])cc1F	587136598	HGLFXACZLMWOAR-UHFFFAOYSA-N	412.194	3.852	5	1	HHBF	
COc1ccc2nc(-c3ccc(Cl)cc3)c3nc(C)n(CC(=O)O)c(=O)c3c2c1	1857632893	XIYDOOOQIMAMGF-UHFFFAOYSA-N	409.829	3.667	5	1	HHBF	
COc1ccc([N+](=O)[O-])cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1	13579687	XZWVZRGOXWGGDV-SFHVURJKSA-N	406.866	3.927	5	1	HHBF	
O=C(NCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1cc2c(s1)CCC2	587034881	MPDVTSXGHSOCDM-UHFFFAOYSA-N	421.276	3.714	5	1	HHBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	962973279	JTGUJGHBBGEKPT-SJKOYZFVSA-N	407.760	3.696	5	1	HHBF	
O=C(O)c1ccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)cc1	1857597376	GNGPLKZHJKDYBM-UHFFFAOYSA-N	420.337	3.938	5	1	HHBF	
CN1C(=O)c2c(c3c4ccccc4n(C[C@H](O)CO)c3c3cc4ccccc4cc23)C1=O	28477808	ZHCVRYJIKJFALH-INIZCTEOSA-N	424.456	3.680	5	1	HHBF	
CSc1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1	587263678	YVLKCQCIBUVOCW-UHFFFAOYSA-N	411.487	3.676	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587868731	QQNQGNFAJKSGJH-UHFFFAOYSA-N	404.308	3.746	5	1	HHBF	
Nc1ncc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1[N+](=O)[O-]	587267965	KMFLADSPICIQML-UHFFFAOYSA-N	413.029	3.640	5	1	HHBF	
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCC/C=C\CCCCCCCC(=O)O	96094904	HXMYXBDOFWDFBU-YPLUBFQTSA-O	400.536	3.621	5	1	HHBF	in-vitro
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587041445	BZTWUKHHEHHUOC-AWEZNQCLSA-N	419.806	3.688	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)c(Br)cc2[nH]1	587273184	FTRIINPZIYIDTH-UHFFFAOYSA-N	415.045	3.549	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	587865999	SHRZPRHJQIOVKQ-LLVKDONJSA-N	423.351	3.974	5	1	HHBF	
Cc1c(Sc2ccccc2)n(C/C=C/c2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O	6520170	BBBGKSYMCMWFHX-VMPITWQZSA-N	401.469	3.679	5	1	HHBF	
COc1cncc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587117224	BBYNTHNWVHTVFB-UHFFFAOYSA-N	418.335	3.805	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(F)c(Br)c4[nH]3)nn2)c1	587270145	QPKLULHMXDXCSS-UHFFFAOYSA-N	403.171	3.620	5	1	HHBF	
O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3cc4ccccc4s3)c(=O)c12	28655967	KSULRIAPVGFERN-UHFFFAOYSA-N	409.854	3.860	5	1	HHBF	
COC(=O)c1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1	587267939	JDNWNLMQEWWXAX-UHFFFAOYSA-N	422.376	3.785	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc([N+](=O)[O-])ccc12	587579126	YXBLSZAJRSZMOB-KNQAVFIVSA-N	405.362	3.940	5	1	HHBF	
COCCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	100370417	ODVLPCJRMFAPLC-AZZGVMCLSA-N	418.446	3.811	5	1	HHBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H](N)C(C)(C)O2	28705823	HPSDVUKKCGLPNU-FQEVSTJZSA-N	409.530	3.741	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(Cl)[nH]c-2n1	587055865	QXFRZIPYKMIPGB-LBPRGKRZSA-N	409.233	3.647	5	1	HHBF	
CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260488	SCYVWAOSIHLFRW-SDDRHHMPSA-N	424.295	3.773	5	1	HHBF	
O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1	299823054	RSRITDVITLDNLT-UHFFFAOYSA-N	411.439	3.879	5	1	HHBF	
COc1c(O)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587746292	MEHROEYJWMOCCL-GLEZIHRCSA-N	411.227	3.834	5	1	HHBF	
Cc1cc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2cc1[N+](=O)[O-]	587019841	QRIDNTSOZXNHFR-UHFFFAOYSA-N	409.427	3.785	5	1	HHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)c(Br)cnc2[nH]1	587268785	FQCGMJHVANDOTB-UHFFFAOYSA-N	411.599	3.674	5	1	HHBF	
C[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277389	VFOVYSZHDNQPBC-ZCFIWIBFSA-N	420.145	3.938	5	1	HHBF	
Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-]	587572883	ABLAFQYYSAFYEI-UTKZUKDTSA-N	409.398	3.534	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12	587574731	GYVZIWUDRGNBRB-UTKZUKDTSA-N	403.350	3.880	5	1	HHBF	
Oc1c(Br)cc(I)c2nc3ccccc3nc12	653862770	KZTBVFBYVCDDHB-UHFFFAOYSA-N	401.001	3.856	5	1	HHBF	
NCCCN1CCN(CCCNc2nc3ccccc3c3[nH]c4ccccc4c23)CC1	143455480	XJCAAZGZKVKEMB-UHFFFAOYSA-N	416.573	3.638	5	1	HHBF	
CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12	587050545	RYCDVGTYEWMQMY-CLFYSBASSA-N	406.851	3.545	5	1	HHBF	
O=c1c2ccccc2oc2c(I)ccc(Cn3ccnc3)c12	95586788	CQLIPWIEUHGXSZ-UHFFFAOYSA-N	402.191	3.796	5	1	HHBF	
CCCCOc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Br	587273971	LULCVVYQNJVPAA-UHFFFAOYSA-N	408.256	3.966	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1	587267064	SRWCKDBRHXBJPP-ZETCQYMHSA-N	407.184	3.710	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(Cc1cccc([N+](=O)[O-])c1)CC2=O	587473561	XRGFFGSVINJQIR-QFIPXVFZSA-N	413.426	3.763	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(F)cc1[N+](=O)[O-]	587870518	BAVAOJLIRHCBEC-UHFFFAOYSA-N	403.341	3.854	5	1	HHBF	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)c1c(CO)oc2cc(Br)cnc12	587275842	GMQBJWGIEUGODT-UHFFFAOYSA-N	411.595	3.875	5	1	HHBF	
C[C@@H](c1cc2ccccc2o1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O	28655952	DMIKXHFASFMLMV-JTQLQIEISA-N	407.813	3.953	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1	587865634	DZQNYSKFJJTXLG-UHFFFAOYSA-N	423.351	3.721	5	1	HHBF	
COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857745401	HIRWEADVTAWACU-UHFFFAOYSA-N	420.465	3.615	5	1	HHBF	
COc1ccc(C(=O)[C@@H]2CCc3c(ccc(OC)c3[N+](=O)[O-])C2)c(OC)c1OC	1857762171	YRAIXCJQKLBWSZ-CYBMUJFWSA-N	401.415	3.617	5	1	HHBF	
COC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23	45374078	YRKCZRGFAVTARH-QFIPXVFZSA-N	400.394	3.980	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)cn3)c1)C2	66252501	KPELCPAPAJBQHV-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1	82148658	KZCDWSAYHXLCJB-UHFFFAOYSA-N	407.430	3.801	5	1	HHBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C	587860126	MESYAODCAFRONA-UHFFFAOYSA-N	424.244	3.894	5	1	HHBF	
COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccccc1	653701109	ZTYNLYGPDIXWAQ-UHFFFAOYSA-N	405.410	3.595	5	1	HHBF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2cccc([N+](=O)[O-])c2)(c2ccccc2F)N1	962892911	FIVIYCCTUGLFRG-SIKLNZKXSA-N	410.376	3.764	5	1	HHBF	
O=C(NCc1ccccc1)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82135624	GBINLRYTSXOMBR-UHFFFAOYSA-N	403.442	3.804	5	1	HHBF	
CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2)NCCc2c1c(C(C)C)nn2C	962906670	HOGYQLBRMITNND-QHCPKHFHSA-N	405.502	3.931	5	1	HHBF	
CC[C@@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5O	195037261	JWNJXPKXYBPWQH-WDIBMBQLSA-N	407.582	3.713	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1	587262231	GMRUAVYEKHVJGN-MLCYQJTMSA-N	413.390	3.546	5	1	HHBF	
CCN(CC)CCNC(=O)CCCn1c2ccccc2c2nc3ccccc3nc21	1772634756	VPEBJMHNZFEEGZ-UHFFFAOYSA-N	403.530	3.976	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)O2	587374695	IXMVKYDFXNOVBO-HXUWFJFHSA-N	412.833	3.781	5	1	HHBF	
C[C@H](c1cc2ccccc2o1)n1nc(O)c2[nH]c3cc(Cl)ccc3c(=O)c2c1=O	28655956	DMIKXHFASFMLMV-SNVBAGLBSA-N	407.813	3.953	5	1	HHBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	587747468	OBEVUALHCKYCMK-MGNBDDOMSA-N	407.239	3.863	5	1	HHBF	
CC1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135706	GCSHDQODUOORPI-UHFFFAOYSA-N	409.490	3.914	5	1	HHBF	
Cc1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587123352	DEUHRBZMHCQVSO-UHFFFAOYSA-N	418.328	3.847	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587749771	FOPHBDGVLZPEMC-YYSFKGJASA-N	405.223	3.861	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751439	MJSSTVRCTDTLIJ-DYBLOJMWSA-N	405.223	3.861	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])O2	587377478	IRUJWNKIVFSRLG-LJQANCHMSA-N	403.822	3.892	5	1	HHBF	
Cc1noc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3C)s2)c1[N+](=O)[O-]	5212111	BCEDEDBQGPNQMM-UHFFFAOYSA-N	401.326	3.624	5	1	HHBF	
COc1cc(C2C3CC4CC(C3)CC2C4)c(O)c([C@H](O)c2ncc([N+](=O)[O-])n2C)c1	29480274	XWBGHGYYCLBLJR-FBGUGWKGSA-N	413.474	3.664	5	1	HHBF	
Cc1cc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2cc1[N+](=O)[O-]	586970337	XAJDMZVNAXFVAB-UHFFFAOYSA-N	411.399	3.851	5	1	HHBF	
CC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc(N)cc5oc2c34)CC1	1772606747	GPIIRAVBRYBNOQ-UHFFFAOYSA-N	409.417	3.855	5	1	HHBF	
Cc1ccc(CN2CCCC[C@H]2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	66167206	XYXSJSAUMLMZJR-QHCPKHFHSA-N	422.529	3.607	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2	72126024	IBHDWSKLAYZZMC-AWEZNQCLSA-N	422.319	3.592	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748074	SEXRKAWANMRFNH-PWJLMRLQSA-N	409.211	3.818	5	1	HHBF	
COc1ccc(N2N=NS[C]2Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	2356589699	PHDZEFZKXMIKSL-UHFFFAOYSA-N	420.343	3.814	5	1	HHBF	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC)C(C)=N1	169723416	RFJHFCFIJPIWAJ-MSOLQXFVSA-N	402.447	3.950	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587413747	PSVDXRXVWHPGSC-BTDLBPIBSA-N	406.188	3.560	5	1	HHBF	
COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587745522	JTAHBLYTHQLFHL-PWJLMRLQSA-N	411.227	3.834	5	1	HHBF	
O=C(Nc1ccccc1[N+](=O)[O-])N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O	199358808	HMJSSBKNEVZBOT-KRWDZBQOSA-N	416.865	3.951	5	3	HHBF	
COc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1	587054912	NBMUZZGWORKVAY-HNNXBMFYSA-N	403.826	3.655	5	1	HHBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577047	QTZUYQHRBLHFIC-UGKGYDQZSA-N	407.378	3.804	5	1	HHBF	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1	39285988	DLCJSLAKWSVTCY-SFHVURJKSA-N	402.447	3.736	5	1	HHBF	
Cc1cc(Br)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1	586919812	HUULBWUQJAEJCR-UHFFFAOYSA-N	410.249	3.516	5	1	HHBF	
C[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	587276580	MHDWKTHJCGZMKA-ZCFIWIBFSA-N	420.145	3.938	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587748927	BQVRYPWORZTYHW-ZKANADHPSA-N	405.227	3.996	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1F	586953847	SXUQEPKUVXSRBB-UHFFFAOYSA-N	419.419	3.535	5	1	HHBF	
CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1	586985608	QCOBMXBQCNIHIH-ZDUSSCGKSA-N	421.226	3.793	5	1	HHBF	
C[C@@]1(CCc2ccccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962636168	PFNQZUDMNNKLRQ-LIRRHRJNSA-N	424.375	3.940	5	1	HHBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc([N+](=O)[O-])cc2)cc1	13584447	XUXHUGUGBWGVGT-UHFFFAOYSA-N	422.426	3.983	5	1	HHBF	
COc1ccc(-c2nn3c(COc4ccc([N+](=O)[O-])cc4)nc(=S)nc3o2)cc1	103176875	RFEHIMFJTPCLCA-UHFFFAOYSA-N	411.399	3.610	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(C)nccc2[nH]1	586949182	TWJOVRZBZXRTCF-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587052801	NGBZEGGTQLDNHS-SNVBAGLBSA-N	411.643	3.835	5	1	HHBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O	587579118	YVESVHQVMWSZQI-NQIIRXRSSA-N	409.350	3.718	5	1	HHBF	
Cc1nn(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-]	587748543	VMPUDQBPWCDDGV-XLFHBGCDSA-N	411.275	3.759	5	1	HHBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CCCO)CC3	95575789	RTXHENGCAFMDKC-UHFFFAOYSA-N	411.498	3.768	5	1	HHBF	
COc1cc(OC)c2c(=O)cc(-c3cccc([N+](=O)[O-])c3)oc2c1-c1ccnn1C	95587796	CVPYUGJVVRCOMM-UHFFFAOYSA-N	407.382	3.786	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(OC)cc2[nH]1	587264435	RPJDVAVUVMYDGB-NSHDSACASA-N	415.402	3.840	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)nn2)c1	587270716	ZCLVDDDXXPSKOM-UHFFFAOYSA-N	421.161	3.760	5	1	HHBF	
O=c1c2cc(Br)ccc2oc2cc(OCCCCO[N+](=O)[O-])cc(O)c12	1857632113	PCENNNOONHXSSZ-UHFFFAOYSA-N	424.203	3.782	5	1	HHBF	
CCN1CCN(c2cc(C)c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3n2)CC1	20108592	OGRPBQOJBFYWRN-UHFFFAOYSA-N	419.485	3.846	5	1	HHBF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586984395	KZPMTVAMZNLPND-AWEZNQCLSA-N	403.236	3.654	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(F)c(F)c(F)c3[nH]2)CC1	587269294	KIFQXSWOPBMWRB-UHFFFAOYSA-N	404.348	3.908	5	1	HHBF	
COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587745529	JTAHBLYTHQLFHL-ZKANADHPSA-N	411.227	3.834	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587753365	VJMYKADUAXGOLM-LZVRBXCZSA-N	405.223	3.861	5	1	HHBF	
COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1	587572825	AAMNBQQIOXRVEI-GHTZIAJQSA-N	421.361	3.790	5	1	HHBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccccc1[N+](=O)[O-]	537768	FXQOJICZHFGCKP-LXQIZEMBSA-N	416.430	3.565	5	1	HHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587260565	UTSFNWOOMRYHJT-SZEHBUNVSA-N	400.660	3.639	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2	72122923	YQSNVVHCXOHVHC-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
Cc1ccc(NC(=O)Nc2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)cc1	653787745	QBZHHBQFOGCRGA-OAQYLSRUSA-N	423.429	3.974	5	1	HHBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)nc1C(F)(F)F	587118104	JYWGQXIKDKTEEO-UHFFFAOYSA-N	417.347	3.894	5	1	HHBF	
CN1C(=O)C[C@H]2CN[C@@H](c3cc(Br)c(F)cc3[N+](=O)[O-])c3cccc1c32	963032739	VEOVFVFVMHLBSU-NIVTXAMTSA-N	420.238	3.639	5	1	HHBF	
Cc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979696	HYWOPQXJINBSFK-UHFFFAOYSA-N	403.236	3.911	5	1	HHBF	
NCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CN4CCOCC4)cc3)ccc12	28955882	BMAVNUDMZFXDBM-UHFFFAOYSA-N	413.521	3.682	5	1	HHBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1	40848457	PNBDDUPWZUAOHG-UHFFFAOYSA-N	408.439	3.794	5	1	HHBF	
CN(C)CCN1C(=O)c2cccc3cc(Nc4ccc([N+](=O)[O-])cc4)cc(c23)C1=O	82154450	XYCUZANBIMHLMM-UHFFFAOYSA-N	404.426	3.649	5	1	HHBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587573348	BGCWZJPMVOPISQ-UWJYYQICSA-N	409.350	3.718	5	1	HHBF	
Cc1nn(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-]	587748495	VBFOXETYHZWLDT-XYZCENFISA-N	411.275	3.759	5	1	HHBF	
Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587149142	LZHQVHTYOPSIGU-UHFFFAOYSA-N	400.301	3.725	5	1	HHBF	
COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc2c3c(cccc3n1)CC2	587211040	KIANVJGSEOCJQY-UYRXBGFRSA-N	404.422	3.972	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nn2)c1	587270639	XINBVGKPNRKUQM-UHFFFAOYSA-N	408.381	3.815	5	1	HHBF	
COc1ccc([C@@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	43075689	CRMROGYPHOVPFX-UYAOXDASSA-N	415.471	3.895	5	1	HHBF	
COC1=C[C@@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1	195368422	WYGAYLIPQHONKL-OHOGDBNVSA-N	410.474	3.526	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1	587868400	KIKLSMDLANSNPP-UHFFFAOYSA-N	407.308	3.961	5	1	HHBF	
CC[C@@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@H]1[C@@H]1[C@H](O)[C@]4(C[C@H]12)c1ccccc1N(C)[C@H]34	169363272	JWNJXPKXYBPWQH-NFPLYXPMSA-N	407.582	3.713	5	1	HHBF	
COc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)C)cc1OC	36184617	YEHNIBYWEVRCKV-QGZVFWFLSA-N	402.511	3.646	5	1	HHBF	
CC(C)(C)C(=O)OCN(c1ccc([N+](=O)[O-])cc1Oc1ccccc1)S(C)(=O)=O	72180831	MFVZXTZESNQQGK-UHFFFAOYSA-N	422.459	3.700	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587274578	QDHSZIUTHLARDL-UHFFFAOYSA-N	420.145	3.685	5	1	HHBF	
COC(=O)C[C@@]1(Cc2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587512902	POXZGSMMGDRIEZ-HSZRJFAPSA-N	409.438	3.983	5	1	HHBF	
CC1=NC(=O)N(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)C	169730052	IWJIBGYBGASQKY-HZPDHXFCSA-N	405.407	3.645	5	1	HHBF	
COc1cc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	587263199	OLNDAPJMFVYFCE-UHFFFAOYSA-N	413.615	3.870	5	1	HHBF	
Cc1ccc2c(ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c32)n1	587265851	HNUSAHFDRNXCCG-ZMZPIMSZSA-N	422.401	3.770	5	1	HHBF	
CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)CCc1ccccc1	13738601	AHKHRKAACFDJEC-UHFFFAOYSA-N	409.486	3.926	5	1	HHBF	
O=[N+]([O-])c1c(Br)ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12	587170540	CNVLULBEAZUMOB-UHFFFAOYSA-N	408.183	3.830	5	1	HHBF	
Cc1nc2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCCCC4)cc3)c2c(=O)[nH]1	40413930	ARFCMWLOKSADEH-UHFFFAOYSA-N	420.498	3.595	5	1	HHBF	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(C2CC2)n1	587231914	HVQQENVVIGCFKF-UHFFFAOYSA-N	410.434	3.830	5	1	HHBF	
CCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC)C(C)=N1	169723417	RFJHFCFIJPIWAJ-QZTJIDSGSA-N	402.447	3.950	5	1	HHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1	169723552	WHUYBWWQPAXKBJ-MJGOQNOKSA-N	412.398	3.553	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	587574305	DZPYLQCGUJVGGZ-YLJYHZDGSA-N	408.322	3.912	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	587862467	AVXZFOXFEJTTAR-SNVBAGLBSA-N	409.324	3.584	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1[N+](=O)[O-]	587868258	JSXZJVJRPHJRFZ-UHFFFAOYSA-N	422.319	3.600	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)c1c(CO)oc2cc(Br)cnc12	587276710	SULWREJVXFDFKK-UHFFFAOYSA-N	411.595	3.875	5	1	HHBF	
Cc1c(Br)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12	587091301	DDZPLTQFFSXXBF-UHFFFAOYSA-N	404.146	3.968	5	1	HHBF	
Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1	198402523	NQURNTVJCRBYNA-UHFFFAOYSA-N	422.514	3.674	5	1	HHBF	
CCCCOC(=O)CSc1ccc([N+](=O)[O-])c(SCC(=O)OCCCC)n1	84154643	ILUVGAROPJWFBP-UHFFFAOYSA-N	416.521	3.861	5	1	HHBF	biogenic,in-vitro
COc1cc([C@@H]2Oc3ccc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)ccc1O	98084692	NPNAAJZAXIAJHN-CTNGQTDRSA-N	406.390	3.534	5	1	HHBF	
COc1cc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-]	587263254	PJEMABWMLCRHOR-UHFFFAOYSA-N	423.179	3.729	5	1	HHBF	
O=c1c2cnc3ccccc3c2ncn1CCCCN1CCN(c2ccccc2)CC1	72106740	NUVBNNJKWHFKRW-UHFFFAOYSA-N	413.525	3.547	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	587574303	DZPYLQCGUJVGGZ-PXNSSMCTSA-N	408.322	3.912	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1F	587187383	FRIAUZDYZQLGND-UHFFFAOYSA-N	423.145	3.530	5	1	HHBF	
CC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1	586984877	JFQKDOUOXKIEIR-AWEZNQCLSA-N	403.236	3.654	5	1	HHBF	
COCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149148	CECJBJSIUKDHCR-UHFFFAOYSA-N	413.478	3.515	5	1	HHBF	
C[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@]12C=CC(=O)O2	299830990	HWEOOMJLQPABIA-CPVQVEMSSA-N	412.354	3.735	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)O2	587374371	XGDIOXMMKDHADG-SFHVURJKSA-N	419.231	3.891	5	1	HHBF	
CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260484	SCYVWAOSIHLFRW-GRYCIOLGSA-N	424.295	3.773	5	1	HHBF	
CC1(C)CCN(S(=O)(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1	1772642249	CPNPLVKGJLWYBV-UHFFFAOYSA-N	417.487	3.658	5	1	HHBF	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587576408	OKCRFSOHAKPDSG-PMACEKPBSA-N	407.378	3.882	5	1	HHBF	
CCc1occc(=O)c1Oc1cc(NN2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	15936233	SLXHLGXATOCIFQ-UHFFFAOYSA-N	404.379	3.624	5	3	HHBF	
CC(C)(C)c1ccc2oc(=O)n(C3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)c2c1	22648301	PPRSCQUOXQQFQD-UHFFFAOYSA-N	413.430	3.871	5	1	HHBF	
COC(=O)c1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c(F)c1Nc1ccccc1	587276887	OPEVXJMYNPALOH-LLVKDONJSA-N	424.392	3.946	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O	587434795	ZTYAJEHMCDSPHQ-OYHNWAKOSA-N	406.394	3.891	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C	587871939	QKWJBPOBIRUGLO-UHFFFAOYSA-N	401.398	3.540	5	1	HHBF	
CCOC(=O)[C@H](CC)n1c(=O)c2cc(OC)c(OC)cc2c2c[nH]c3nccc-3c21	1857655574	GKSIIYKLDPQIAR-INIZCTEOSA-N	409.442	3.514	5	1	HHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	587269407	MYUXNHRNVICVFO-UHFFFAOYSA-N	416.262	3.912	5	1	HHBF	
CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1	587532052	MMTFNQAGGNGRDS-IBGZPJMESA-N	401.440	3.584	5	1	HHBF	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O	587747923	QWNWHVIGEUANNB-QPFGOUBPSA-N	411.227	3.834	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC/C=C/c1ccc(OCc3ccccc3)cc1)C2	72125948	POBDVHARHKIYQG-PDGUBNMISA-N	407.426	3.861	5	1	HHBF	
COC(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1OC	587109017	GCBCURXPJSPFIM-UHFFFAOYSA-N	409.320	3.876	5	1	HHBF	
C[C@@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O	1772632742	FTUGETCIOLTCQV-WRONEBCDSA-N	413.455	3.680	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCOCC1)CC2=O	587472365	HJVNLWGKAZQNSE-OAQYLSRUSA-N	412.442	3.796	5	1	HHBF	
C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-]	586988112	ZIMIGFLWQCLNSO-GDLCADMTSA-N	418.405	3.720	5	1	HHBF	
Cc1nc([N+](=O)[O-])cn1CCN(CCn1ccnc1)Cc1ccc(Cl)cc1Cl	64516512	WPJBRJLLBMNSRN-UHFFFAOYSA-N	423.304	3.805	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1[N+](=O)[O-]	587167782	DNQYZRGSJANBCC-UHFFFAOYSA-N	409.337	3.644	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cc(F)c2[nH]1	587116706	CGRUOXNNWFPVLE-UHFFFAOYSA-N	422.136	3.945	5	1	HHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	587262419	RRBVQRYIPWPFGF-UHFFFAOYSA-N	401.732	3.815	5	1	HHBF	
Cc1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl	653847560	ZZSMRUMZLUCOMT-UHFFFAOYSA-N	406.845	3.700	5	1	HHBF	
O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3ccccc3F)c(F)cc2c1=O	103210309	PPMLJOZUROXSCP-UHFFFAOYSA-N	401.325	3.965	5	1	HHBF	
CC[C@H](OC)[C@@H]1CCC[C@H]2[C@@H]3C(=CCC[N+]12[O-])O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C	95913569	AZADMFYAIAVDAJ-WQEZPDIFSA-N	419.518	3.906	5	1	HHBF	biogenic,in-vitro
CC(=O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccc([N+](=O)[O-])cc12	49110321	FKSRILAEMLUZKE-UHFFFAOYSA-N	423.244	3.752	5	1	HHBF	
CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1	82136091	STQICCHDNYNHNE-UHFFFAOYSA-N	423.448	3.937	5	1	HHBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(CCCN)CC3	95580426	MKOZUXVKCQWOTG-UHFFFAOYSA-N	410.514	3.734	5	1	HHBF	
CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC	238776119	KXNRITUKNSFMGJ-AFFTTWQFSA-N	414.502	3.838	5	1	HHBF	
CCOc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	68584216	PSGQMLWHWSOTPH-UHFFFAOYSA-N	408.204	3.796	5	1	HHBF	biogenic
CSc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1	587267465	ZMLUFCUBGMWAFR-XXFAHNHDSA-N	403.420	3.635	5	1	HHBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577046	QTZUYQHRBLHFIC-SIKLNZKXSA-N	407.378	3.804	5	1	HHBF	
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1[N+](=O)[O-])CCCC3	35079577	OWDDOOZVDQHYQH-SFHVURJKSA-N	408.458	3.845	5	1	HHBF	
Cc1c2cc(NC(=O)CN(C)C)ccc2nc2c1c1ccccc1n2CCN(C)C	84741297	FHQVOKYDKBFCPV-UHFFFAOYSA-N	403.530	3.713	5	1	HHBF	
Cc1c(C(=O)Nc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cccc1[N+](=O)[O-]	587553821	HNGHKMRYRBWVID-UHFFFAOYSA-N	417.381	3.572	5	1	HHBF	
CN(C)c1cc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)ccn1	14970354	POCOAJDFDGQKSH-UHFFFAOYSA-N	418.472	3.947	5	1	HHBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(F)cc1	169321847	RBTFRNKAFXLRHY-ZZLPTCMGSA-N	403.413	3.747	5	1	HHBF	
COCCNc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-]	587262416	UOJFBQCORNBQBA-UHFFFAOYSA-N	416.747	3.610	5	1	HHBF	
O=[N+]([O-])c1cncc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12	587092055	RAQUMJRLWPAAGA-UHFFFAOYSA-N	407.230	3.888	5	1	HHBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587745679	IDKXPLRWUKUHHH-VOJFVSQTSA-N	409.255	3.921	5	1	HHBF	
O=C(c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1	82149274	UCPGWHQNGZOKJY-UHFFFAOYSA-N	403.442	3.900	5	1	HHBF	
Cc1c(Cl)ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12	587263914	HWERHHQIWXVFMV-XXFAHNHDSA-N	405.798	3.875	5	1	HHBF	
Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CC2)cc1	586955195	VHINHFAQCXQJEA-UHFFFAOYSA-N	414.487	3.656	5	1	HHBF	
COC(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747601	OZMJVSRHUFRSBE-XXFAHNHDSA-N	423.238	3.907	5	1	HHBF	
C[C@]1(CCc2ccccc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962636164	PFNQZUDMNNKLRQ-IFXJQAMLSA-N	424.375	3.940	5	1	HHBF	
COc1ccc(CNC(=O)COc2cccc3c2ccc2c(C)cc(=O)oc23)cc1	84587498	HZOUPVUOMIZRQN-UHFFFAOYSA-N	403.434	3.958	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=N)N)cc2[nH]1	587054016	ICUMUQCBOANISG-INIZCTEOSA-N	414.853	3.536	5	1	HHBF	
CCN(c1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)cc1)S(C)(=O)=O	587923375	NPMDRNNULCTVLO-UHFFFAOYSA-N	418.500	3.753	5	1	HHBF	
Nc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963175663	HDUQJYFPIQJGEF-WFASDCNBSA-N	415.755	3.538	5	1	HHBF	
COc1cc([C@H]2C3=C(COC3=O)Nc3ccc4nc(C)sc4c32)ccc1[N+](=O)[O-]	71316622	FAGRREKQTAMEDT-MRXNPFEDSA-N	409.423	3.890	5	1	HHBF	
CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC[C@H]2CCCO2)[C@@H]1c1ccccc1[N+](=O)[O-]	26717747	FXQOJICZHFGCKP-AHECYTAQSA-N	416.430	3.565	5	1	HHBF	
CCCCCCNC[C@H](O)COc1cc(O)c2c(=O)c3cccc(OC)c3oc2c1	96933352	YYZFAMPZZYOVDI-HNNXBMFYSA-N	415.486	3.570	5	1	HHBF	
CCOC(=O)[C@@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1c2cccc1[N+](=O)[O-]	100665509	FUOPUIXPFABMRT-YFMVBIDXSA-N	406.460	3.960	5	1	HHBF	
O=[N+]([O-])c1cc(-n2c(O)c3c(c2O)CC=CC3)ccc1NCCc1ccc(O)cc1	169689888	BZMXADDIAJHEFD-UHFFFAOYSA-N	407.426	3.812	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(=O)O)c2[nH]1	587054855	MMGFWCKQJVFXTC-HNNXBMFYSA-N	416.821	3.950	5	1	HHBF	
CCCC[C@@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553681	VSLPJYBMFGCEFG-INIZCTEOSA-N	410.861	3.772	5	1	HHBF	
CC1=C(c2ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3c2)NNC(=O)C1	587139400	JMHQKARBWUMHQL-UHFFFAOYSA-N	401.785	3.686	5	1	HHBF	
CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc([N+](=O)[O-])cc2)nn1C	103197854	IKNMIEIHOSNNHW-XMHGGMMESA-N	423.425	3.735	5	1	HHBF	
CC(=O)N/C(=C/c1ccccc1[N+](=O)[O-])C(=O)n1nc2cc1Oc1ccc(F)cc1-2	587874716	IZMHIUCGGSEBFG-LZYBPNLTSA-N	408.345	3.521	5	1	HHBF	
COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(Br)cc2)c1=O	1772582599	WJQJWPKZNOKWKO-UHFFFAOYSA-N	417.215	3.507	5	1	HHBF	
O=C(OCc1ccccc1)c1cccn1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	27622951	YJLFRTUJUFTFAB-UHFFFAOYSA-N	420.830	3.644	5	1	HHBF	
CC[C@@H]1C[N@@+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC	253633659	KXNRITUKNSFMGJ-RVVBSRLESA-N	414.502	3.838	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](OCc1ccc(F)cc1)CCO2	1857601638	YDVHRMGHJRKKQN-QGZVFWFLSA-N	418.421	3.698	5	1	HHBF	
O=[N+]([O-])c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1	586960880	QTBDAXUQACQIMP-XMMPIXPASA-N	408.277	3.974	5	1	HHBF	
CN1C(=O)C[C@@H]2CN[C@@H](c3cc(Br)c(F)cc3[N+](=O)[O-])c3cccc1c32	963032725	VEOVFVFVMHLBSU-DYBLOJMWSA-N	420.238	3.639	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3c(cc2[nH]1)OCO3	587054355	JVATZZNHZTZNAK-QGZVFWFLSA-N	416.821	3.980	5	1	HHBF	
O=C(O)c1cc(Br)cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12	587148522	BKYXOXOSQXDBFP-UHFFFAOYSA-N	410.155	3.650	5	1	HHBF	
COc1cc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1[N+](=O)[O-]	587262713	FEGKDEXDFHOQNQ-UHFFFAOYSA-N	423.179	3.729	5	1	HHBF	
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC3	35079579	QTWUJCCPMWZOOB-SFHVURJKSA-N	408.458	3.845	5	1	HHBF	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O	199714290	MQHQZHSEXNWXGS-SFHVURJKSA-N	416.865	3.951	5	3	HHBF	
Cc1cc(C)nc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1	95567758	QZPLLFLASMBPIH-UHFFFAOYSA-N	405.911	3.779	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1	587342305	MSJAPWVKYZLDHR-UNMCSNQZSA-N	409.369	3.686	5	1	HHBF	
CCCCCCNC[C@@H](O)COc1cc(O)c2c(=O)c3cccc(OC)c3oc2c1	96933353	YYZFAMPZZYOVDI-OAHLLOKOSA-N	415.486	3.570	5	1	HHBF	
COC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587578273	VRZPSWAWIDJAMO-DYESRHJHSA-N	421.361	3.790	5	1	HHBF	
CC(C)=CCc1c(O)cc2oc3c(O)cc4c(c3c(=O)c2c1O)C[C@H](O)C(C)(C)O4	15252015	VPNBQMUAQMFCCW-KRWDZBQOSA-N	412.438	3.646	5	1	HHBF	endogenous,in-man
CCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC)C(C)=N1	169723415	RFJHFCFIJPIWAJ-ZWKOTPCHSA-N	402.447	3.950	5	1	HHBF	
COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl	587264569	NUXDBXDEEDHPSR-BCTVWOGZSA-N	421.797	3.575	5	1	HHBF	
CCCS(=O)(=O)N1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1	586953179	QCNBMVFRUYEIPQ-UHFFFAOYSA-N	409.515	3.579	5	1	HHBF	
CC(C)Oc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1	587266744	NYJQICXCRPTSRI-VOJFVSQTSA-N	415.406	3.701	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587749770	FOPHBDGVLZPEMC-NIVTXAMTSA-N	405.223	3.861	5	1	HHBF	
CNC(=O)NCCCCNC(=O)c1c2ccncc2c(C)c2c1[nH]c1ccccc12	1772580138	FPNJQWRKJSZUOJ-UHFFFAOYSA-N	403.486	3.617	5	1	HHBF	
Cc1nc(NCc2ccccc2OC(F)(F)F)nc(-n2ccnc2C)c1[N+](=O)[O-]	28821417	STXOBIUPWPZHNI-UHFFFAOYSA-N	408.340	3.698	5	1	HHBF	
O=c1cc(CN2CCCc3ccccc32)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]1	72178350	ZACFRBIBIDRNNK-UHFFFAOYSA-N	408.483	3.923	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748476	VAZSAULPIXTPHY-PWJLMRLQSA-N	409.211	3.818	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2	72126189	SACVAIMTSHJUTG-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
O=C(NCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587228035	FENFLWNOMUSACM-UHFFFAOYSA-N	419.235	3.703	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	587265391	TTXKOMUTHQTZPW-INIZCTEOSA-N	402.410	3.650	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(C)c1[N+](=O)[O-]	587268239	YNJVGIMXCNNPKK-UHFFFAOYSA-N	418.457	3.702	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C	587866155	WBHDPOPCDTYZSS-UHFFFAOYSA-N	423.351	3.606	5	1	HHBF	
COc1cc(CNc2cc(-c3ccc(C)c([N+](=O)[O-])c3)ncn2)cc(OC)c1OC	82162180	DOOBBRWNBPBNKM-UHFFFAOYSA-N	410.430	3.998	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	587342218	MEMQFHPLGDUDDM-KNQAVFIVSA-N	420.352	3.646	5	1	HHBF	
CC(=O)N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	587207806	WNYJBPWYEWJCQR-AWEZNQCLSA-N	417.263	3.962	5	1	HHBF	
C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277388	VFOVYSZHDNQPBC-LURJTMIESA-N	420.145	3.938	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587424321	NIYKODYPWSPXEO-DYZYQPBXSA-N	408.179	3.994	5	1	HHBF	
Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-]	587572885	ABLAFQYYSAFYEI-UWJYYQICSA-N	409.398	3.534	5	1	HHBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587745243	GZMUIWLSSJEXFQ-BBATYDOGSA-N	409.255	3.921	5	1	HHBF	
Cc1ccc2c(c1)C(=O)N(CCOC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2=O	40913849	HAXGHXOQIGGATH-UHFFFAOYSA-N	419.846	3.566	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1	587946427	SVMAFHALQGAXHX-UHFFFAOYSA-N	406.373	3.984	5	1	HHBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)NC(=O)[C@@H]1CCCN1C3	103275559	FWTAXUPOFINYIY-SFHVURJKSA-N	422.481	3.944	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	587577328	RWFPTRLZWIZHEX-GHTZIAJQSA-N	421.361	3.790	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748069	SEXRKAWANMRFNH-BCTVWOGZSA-N	409.211	3.818	5	1	HHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586920637	OKCBVAVFVRLYDJ-UHFFFAOYSA-N	419.422	3.541	5	1	HHBF	
COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1	587745944	IOQRMZGJLVLGTE-HUTHGQBESA-N	423.238	3.907	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@](CO)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1	587342301	MSJAPWVKYZLDHR-IFMALSPDSA-N	409.369	3.686	5	1	HHBF	
COc1cc2ccc(=O)oc2cc1OC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1C	1772645500	KCSFACUZFCWOLM-UHFFFAOYSA-N	421.365	3.628	5	1	HHBF	
CC(C)C[C@@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553683	FIRFMWADFZBSPE-INIZCTEOSA-N	410.861	3.628	5	1	HHBF	
CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587048464	BMGDXFSVGKMGGQ-YWEYNIOJSA-N	406.851	3.545	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)c4ccc([N+](=O)[O-])cc4)cn1C)[C@@H](C2)C3=O	587434670	YDSMHEKFNGPFTI-GAJHUEQPSA-N	418.405	3.662	5	1	HHBF	
CC1CCC(NS(=O)(=O)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1	586952237	FFIHCITYQPKSIX-UHFFFAOYSA-N	409.515	3.657	5	1	HHBF	
O=C(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1cccc(F)c1	587163581	RTOCINSNGKCPRP-UHFFFAOYSA-N	407.199	3.944	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1	95567799	YJMJKEVWPGEVLF-UHFFFAOYSA-N	403.486	3.606	5	3	HHBF	
C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC(c2ccc(F)cc2)=NN1	28710405	AAWCPYZRCZFYOV-KRWDZBQOSA-N	410.327	3.848	5	1	HHBF	
CCOC(=O)CCCCC[C@]1(c2ccc([N+](=O)[O-])cc2)c2nn(C)cc2CCN1C	963954517	LGRXJAZIPZGXDO-QFIPXVFZSA-N	414.506	3.573	5	1	HHBF	
COc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1	587118115	KDJJMCMLONQPNR-UHFFFAOYSA-N	418.335	3.805	5	1	HHBF	
O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc2cc3ccccc3cc2c1	1772569821	JZFGNIVEEVIOIY-OAQYLSRUSA-N	423.428	3.831	5	1	HHBF	
CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCCC3	169686289	QHRIUVOIKYNLOD-ROUUACIJSA-N	408.458	3.868	5	1	HHBF	
COc1cc2c3c(c4ccc(OC(C)=O)cc4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3	66259097	ZOQWSMDTOSDEMP-GBXCKJPGSA-N	407.466	3.947	5	1	HHBF	
COc1cc2c(oc3oc4cc(O)cc(O)c4c(=O)c32)c(CCC(C)(C)O)c1O	238761850	XFWPEWCRDHUVPK-UHFFFAOYSA-N	400.383	3.521	5	1	HHBF	
COCCNc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-]	587261970	KIHGWFANTAATMF-UHFFFAOYSA-N	407.224	3.665	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587752877	UCICFOAXWYPURY-WNWIJWBNSA-N	405.227	3.996	5	1	HHBF	
COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1cccc([N+](=O)[O-])c1	27766038	KNEBQUSMEIHUKM-URXFXBBRSA-N	423.513	3.756	5	1	HHBF	
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccccc1[N+](=O)[O-]	653827676	IAKDNUGZTVECLW-CQSZACIVSA-N	408.414	3.719	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587753336	VBLGKZIBPBOTFK-YYSFKGJASA-N	423.238	3.891	5	1	HHBF	
COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O	587576874	PXOMDFDROUYFLX-UZLBHIALSA-N	409.350	3.718	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2	587030790	IHIHGYQRVSCQQF-TZZQWBKVSA-N	416.488	3.993	5	1	HHBF	
CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	28526767	CJABSKLEBRIZKZ-INIZCTEOSA-N	402.863	3.680	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1[N+](=O)[O-]	587267362	JNFYNZOEWZTSJO-LJQANCHMSA-N	405.418	3.723	5	1	HHBF	
O=c1c2cc(O)ccc2oc2cc(OCCCCCCCO[N+](=O)[O-])cc(O)c12	1857758785	JAGRZEXZVMXEFA-UHFFFAOYSA-N	403.387	3.895	5	1	HHBF	
O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	1911578850	RWQKEDSIKIGJLX-KRWDZBQOSA-N	422.268	3.709	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2	587578323	WBTOLHGDLIOMKI-UGKGYDQZSA-N	421.361	3.775	5	1	HHBF	
Cc1ccc(CN2CCCC[C@@H]2C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	66167205	XYXSJSAUMLMZJR-HSZRJFAPSA-N	422.529	3.607	5	1	HHBF	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)(C)C	587203205	DDXDMAVDKPEBCE-AWEZNQCLSA-N	407.427	3.861	5	1	HHBF	
COc1ccc(-c2csc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	45284059	SDIGIKYUKFPDKV-UHFFFAOYSA-N	418.427	3.509	5	1	HHBF	
COc1cc(OC[C@H]2COC(=O)O2)cc2c1c(=O)c1cc3ccccc3cc1n2C	45245966	AABMKVVVRJULIT-INIZCTEOSA-N	405.406	3.768	5	1	HHBF	
O=C1C[C@@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1	587002488	HCOROKNUKHJFHT-SECBINFHSA-N	402.204	3.869	5	1	HHBF	
CNc1cc(-c2ccc3cnn(Cc4ccc(F)c([N+](=O)[O-])c4)c3c2)cn(C)c1=O	1857620881	XRCDGRLBEHOWFD-UHFFFAOYSA-N	407.405	3.539	5	1	HHBF	
Cc1cc([N+](=O)[O-])nn1[C@@H](C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587662091	XISKAVPVFKLZEC-ZDUSSCGKSA-N	421.388	3.517	5	1	HHBF	
Cc1ccc([N+](=O)[O-])c([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c1	963522101	DVYNRGVZKYNZIB-YADARESESA-N	418.449	3.808	5	1	HHBF	
NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	13878874	OZIZUOSOUDCYTE-HXUWFJFHSA-N	418.453	3.553	5	3	HHBF	
Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(C)c1[N+](=O)[O-]	587267840	SGABNYWSDMFAQK-UHFFFAOYSA-N	416.441	3.884	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCn3nc([N+](=O)[O-])cc3C)cc1)O2	587391326	VHIZPQHVHUSOAJ-LJQANCHMSA-N	408.414	3.733	5	1	HHBF	
COc1c(O)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587746290	MEHROEYJWMOCCL-ANRSDYALSA-N	411.227	3.834	5	1	HHBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O	45261243	ZNJMBNJFQRJAPC-UHFFFAOYSA-N	401.382	3.747	5	1	HHBF	
COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C2	587245890	AJVYTXRXVLQFPV-GOSISDBHSA-N	417.263	3.585	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	587574304	DZPYLQCGUJVGGZ-XLIONFOSSA-N	408.322	3.912	5	1	HHBF	
COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747598	OZMJVSRHUFRSBE-ABKXIKBNSA-N	423.238	3.907	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1	587871546	ZIAHQCAAXXHCQE-UHFFFAOYSA-N	407.789	3.577	5	1	HHBF	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)c1ccc(F)cc1C[C@@H]1CCCN12	963115223	VHAULKGWOOEVHD-IBGZPJMESA-N	409.461	3.886	5	1	HHBF	
O=C(O)c1ccc(Cn2cc(-c3ccc(-c4ccc(O)cc4)cc3)nn2)c([N+](=O)[O-])c1	84710796	RTCKJEAKEJPCOE-UHFFFAOYSA-N	416.393	3.972	5	1	HHBF	
O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCc1ccc(F)cc1	587369634	MNGDVJCMCPTGDM-UHFFFAOYSA-N	408.345	3.729	5	1	HHBF	
CCS(=O)(=O)c1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	586922845	SZWFRAYWKSDGBB-UHFFFAOYSA-N	424.276	3.618	5	1	HHBF	
COc1c(F)cc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1F	45316221	CEWRNJHQVCKCCH-HNNXBMFYSA-N	417.368	3.723	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cn3)cc1)C2	66263197	UQZUAALOBIRJTJ-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1cccc(C)c1	35969383	NAFJGOVMSHSMOP-UHFFFAOYSA-N	421.475	3.874	5	1	HHBF	
COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@@]1(C)NCCc2c(OC)ccc(Cl)c21	963259790	UPVGRCNALFIMBN-OKULMJQMSA-N	416.861	3.874	5	1	HHBF	
CC(C)(C)OC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])s1	84689369	YGRPLPGSSJYJNO-UHFFFAOYSA-N	407.448	3.908	5	1	HHBF	
CC(C)=CCc1c2c(c(O)c3c(=O)c4cccc(O)c4n(C)c13)C[C@@H](C(C)(C)O)O2	148135184	NKVOLHZBWISFHC-KRWDZBQOSA-N	409.482	3.686	5	1	HHBF	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	587232126	UJHABBPGOVRLEP-CABCVRRESA-N	403.486	3.696	5	1	HHBF	
C[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	587275264	AVXUNFKXAKAWKQ-ZCFIWIBFSA-N	420.145	3.938	5	1	HHBF	
O=[N+]([O-])c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)c2nonc12	1772633511	PDXLBQVOKKKVMF-UHFFFAOYSA-N	410.821	3.659	5	1	HHBF	
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(F)cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1O	1857536072	MSZILWMSIQRIMB-BPTRZWJQSA-N	401.438	3.794	5	1	HHBF	
CN1CCN(c2cnc3cccc(NC(=S)Nc4cccc([N+](=O)[O-])c4)c3c2)CC1	71318020	LMBLHZDMOYSPNG-UHFFFAOYSA-N	422.514	3.704	5	1	HHBF	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	587043661	SKBSQYQHIQCVNC-QGZVFWFLSA-N	416.434	3.897	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748477	VAZSAULPIXTPHY-VPTHRUTESA-N	409.211	3.818	5	1	HHBF	
O=C(NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)nc1Cl	1857744259	NIYGEQUDNNNBBY-UHFFFAOYSA-N	409.273	3.691	5	1	HHBF	
O=[N+]([O-])c1cc([N+](=O)[O-])c(N[C]2SN=NN2Cc2ccccc2)c([N+](=O)[O-])c1	2356873977	IJNLADSVGRWOEJ-UHFFFAOYSA-N	404.344	3.801	5	1	HHBF	
O=C(OCC[C@H]1CCn2cc([N+](=O)[O-])nc2O1)OCc1ccc(C(F)(F)F)cc1	473091512	ZFNAASAPNGVKTK-CYBMUJFWSA-N	415.324	3.705	5	1	HHBF	
CCOC(=O)[C@@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1cc([N+](=O)[O-])ccc12	100665546	WOSXQVHCZORUMF-SXOBJVMXSA-N	406.460	3.960	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccnc2[nH]1	586948118	DVHJEWQOVZWQNK-UHFFFAOYSA-N	409.427	3.642	5	1	HHBF	
Nc1ncc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cn1	587253785	FEURJRIYJGPIGD-UHFFFAOYSA-N	411.219	3.940	5	1	HHBF	
CCCOc1cc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259126	ALSVGBOGWXKQDJ-SRVKXCTJSA-N	424.295	3.775	5	1	HHBF	
COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cnn(-c2ccccc2)c1C	587647002	BVFZQHSMLGUDFS-UHFFFAOYSA-N	404.382	3.588	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc([N+](=O)[O-])c1C	587868409	KQXUPXKUQSXPMI-UHFFFAOYSA-N	406.320	3.878	5	1	HHBF	
COC(=O)[C@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	169730093	ODEUVICSUAVJHG-GOEBONIOSA-N	405.407	3.503	5	1	HHBF	
O=[N+]([O-])c1ccc2c3c(n(CCN4CCCCC4)cc13)-c1ccccc1S2(=O)=O	71333839	OWKXZJGSWLTGKY-UHFFFAOYSA-N	411.483	3.849	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1	653849061	FETHJYPVLOIAMT-UHFFFAOYSA-N	403.332	3.754	5	1	HHBF	
CCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259119	ALSVGBOGWXKQDJ-GRYCIOLGSA-N	424.295	3.775	5	1	HHBF	
CCOC(=O)c1cc(-c2ccccc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	12477076	KPMGZZPMNYKWSE-GOSISDBHSA-N	420.425	3.828	5	3	HHBF	
C[C@](O)(CNc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	3928848	MEPOVXQYRHYVOZ-INIZCTEOSA-N	401.316	3.554	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	587577990	VINLHTGEAIMOAI-OXJNMPFZSA-N	424.321	3.617	5	1	HHBF	
CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587201553	RWRYDPOULOVNBO-UHFFFAOYSA-N	407.427	3.960	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748478	VAZSAULPIXTPHY-ZKANADHPSA-N	409.211	3.818	5	1	HHBF	
C[C@H](Nc1ccc(S(=O)(=O)NC(=N)N)cc1)c1c2ccccc2nc2ccccc12	5550672	HRIGVAWMROYHFD-AWEZNQCLSA-N	419.510	3.733	5	1	HHBF	
Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2n1	586948416	HSVBOTNDYAZXAX-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
CN1C(=O)CN(CCCCCN2CCc3ccccc3C2)c2ccc([N+](=O)[O-])cc21	103262751	NLDLRUNCVUHYLM-UHFFFAOYSA-N	408.502	3.606	5	1	HHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)c(F)c(F)c2[nH]1	587267831	GPKINUKMTCXRSX-UHFFFAOYSA-N	400.183	3.880	5	1	HHBF	
CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1[N+](=O)[O-])CCCC3	169686282	LLPKFYZXCQQVTR-MSOLQXFVSA-N	408.458	3.868	5	1	HHBF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc([N+](=O)[O-])c41)[C@@H](C2)C3=O	587430627	JYMJWEFAKRWOBT-BXKMTCNYSA-N	413.385	3.839	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587577655	UAUNGQAQAQKGBS-XLIONFOSSA-N	408.322	3.912	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12	587576883	QAOVAKSYVXUZQN-UWJYYQICSA-N	403.350	3.880	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)nc3)c1)C2	66252687	FUWFFELMSCIFAT-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
O=C(O)c1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587573956	DRKYMVZBEBVKKB-PXNSSMCTSA-N	407.334	3.702	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	587748715	VVXWJPHNHCXXND-VVVCHXIZSA-N	423.238	3.907	5	1	HHBF	
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCCN(Cc2cccc(Cl)c2)C1=O	199358687	DPTATDXSOBSOHD-SFHVURJKSA-N	416.865	3.951	5	3	HHBF	
C[C@](O)(COc1ccccc1F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13580993	LIDGOIZQLLZRNU-INIZCTEOSA-N	402.300	3.521	5	1	HHBF	
CC(C)Oc1cc2ncnc(Nc3ccc(F)c([N+](=O)[O-])c3)c2c2c1OCCO2	653878477	JRRBFBKACYJFKD-UHFFFAOYSA-N	400.366	3.979	5	1	HHBF	
COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O	587434628	XGPNFCLOBSRKRS-CXRNJZHVSA-N	418.449	3.856	5	1	HHBF	
Nc1ncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	587268343	SDLQXMIZFRKAET-UHFFFAOYSA-N	418.129	3.776	5	1	HHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	80479396	BEJFKXPICQIWOE-CTNGQTDRSA-N	422.437	3.960	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cnccc2[nH]1	586948783	NWTQMRMGRDMGGS-UHFFFAOYSA-N	409.427	3.642	5	1	HHBF	
C[C@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-]	586988111	ZIMIGFLWQCLNSO-DDTOSNHZSA-N	418.405	3.720	5	1	HHBF	
Cc1onc(-c2nc3c(Cl)ncc(F)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080092	QUSVTESLHSFHCJ-UHFFFAOYSA-N	412.168	3.520	5	1	HHBF	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1	587124619	NNJAYSDEXGNYMJ-SREIQFSDSA-N	411.300	3.550	5	1	HHBF	
COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O	587577471	SFUGHHKIPBOKFP-UWJYYQICSA-N	409.350	3.718	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(CC)cc1[N+](=O)[O-]	587865851	LXQYEYIAVXFSLW-UHFFFAOYSA-N	423.351	3.781	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1	587868999	ZSJUZWSACIFVRX-UHFFFAOYSA-N	406.320	3.878	5	1	HHBF	
COc1cc2c3c(c4ccc(OCC(N)=O)cc4c2cc1OC)CN1CCCC[C@H]1C3	1772626721	VFMKKJHUVGQTNX-HNNXBMFYSA-N	420.509	3.785	5	1	HHBF	
Cn1ccc2cc(F)c3c(c4c(c5c6ccccc6n(CCCO)c53)C(=O)NC4=O)c21	1911550	BFHMGFVFUUEXOQ-UHFFFAOYSA-N	415.424	3.845	5	1	HHBF	
COc1cc2c(CCCN)c3cc(OC)c(OC)cc3c(CCCN)c2cc1OC	26752934	JXOZIJBHXHQWHO-UHFFFAOYSA-N	412.530	3.810	5	1	HHBF	
O=C(/N=c1\[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)Nc1ccc([N+](=O)[O-])cc1	28001858	NGGIJSZGGAZLOF-UHFFFAOYSA-N	401.382	3.768	5	1	HHBF	
Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl	95589389	QHWMIGPLLWYRIR-UHFFFAOYSA-N	406.845	3.700	5	1	HHBF	in-vitro
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587055947	RLUQKGDUKDZADU-CQSZACIVSA-N	418.797	3.555	5	1	HHBF	
CCCC[C@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553703	MPEDBZJPDXRPGZ-MRXNPFEDSA-N	410.861	3.772	5	1	HHBF	
COC(=O)c1ccc(Oc2ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3c2)cc1	587273950	LMOKNEBWHVLSJU-UHFFFAOYSA-N	407.386	3.603	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751417	MGBIPXGQGSHVSN-NIVTXAMTSA-N	405.223	3.861	5	1	HHBF	
CCOc1ccc(-c2cn3cc(I)ccc3n2)cc1[N+](=O)[O-]	68585847	GEZVNYIWMAZHTG-UHFFFAOYSA-N	409.183	3.913	5	1	HHBF	biogenic
CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(Br)cc1	586985585	PHFFHJYGPLLCNT-CQSZACIVSA-N	417.263	3.962	5	1	HHBF	
COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587745202	GTXPAWNYTSMLRI-XYZCENFISA-N	423.238	3.907	5	1	HHBF	
CN1CCN(Cc2cc(Cl)cc3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)oc23)CC1	103175578	KCMTZIRJDVAYMP-UHFFFAOYSA-N	413.861	3.769	5	1	HHBF	
Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc12	587037785	NFAWTPXINUTMIM-QMMMGPOBSA-N	418.866	3.872	5	1	HHBF	
Cc1c(O)ccc2c1[C@@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)N[C@H](C(=O)O)C2	963506815	GDARUZVEPVCGTQ-GBXCKJPGSA-N	418.449	3.694	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(Cl)c[nH]c-2n1	587055279	OEVFGSGCLZORIA-LBPRGKRZSA-N	409.233	3.647	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587742800	AZQXUYZKMKNZPB-PWJLMRLQSA-N	409.211	3.638	5	1	HHBF	
CCOC(=O)[C@H]1N[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc2c(c1)CCC(C)(C)O2	103209836	JQWLRZXOEJNCRH-MLNNCEHLSA-N	424.497	3.795	5	1	HHBF	
COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1	587745946	IOQRMZGJLVLGTE-VVVCHXIZSA-N	423.238	3.907	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@](CO)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1	587331666	FCQLMYZNZHNULW-IRLDBZIGSA-N	409.369	3.686	5	1	HHBF	
CCC[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1	72178045	NCSKRMZUQPZLDL-JSGCOSHPSA-N	400.357	3.582	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1	587057463	XDAJDYOAKNXFPB-MRXNPFEDSA-N	416.821	3.950	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587754081	XOUAMTNMERTNFG-PWJLMRLQSA-N	405.227	3.996	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2c1OCOC2	587575308	IYUZAEJYEIZIOB-GCJKJVERSA-N	421.361	3.870	5	1	HHBF	
COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(Br)c([N+](=O)[O-])c3[nH]1)C2	587245892	AJVYTXRXVLQFPV-SFHVURJKSA-N	417.263	3.585	5	1	HHBF	
CN(c1ccc(-c2csc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1)S(C)(=O)=O	587924022	ZELOGLWJRUSVRX-UHFFFAOYSA-N	403.485	3.705	5	1	HHBF	
COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586980278	NBBFOVOWNCNVIZ-UHFFFAOYSA-N	420.219	3.942	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12	587574729	GYVZIWUDRGNBRB-DYESRHJHSA-N	403.350	3.880	5	1	HHBF	
CCOC(=O)C1=C(C)N(O)C(=S)N[C@H]1c1cccc(-c2ccc([N+](=O)[O-])cc2)c1	1857773310	NDOBFRNIAPVMPT-SFHVURJKSA-N	413.455	3.719	5	1	HHBF	
CCN(CC)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H](N)C(C)(C)O2	28705826	HPSDVUKKCGLPNU-HXUWFJFHSA-N	409.530	3.741	5	1	HHBF	
COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	29467216	ZNCKFVBONJKPQP-UHFFFAOYSA-N	418.881	3.690	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4cccc(Cl)c4)nn3)s2)o1	73259041	HJIXCVFNXPERLF-UHFFFAOYSA-N	417.838	3.612	5	1	HHBF	
CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	82195689	AWAFJONJWRCXEV-GOSISDBHSA-N	418.519	3.618	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748076	SEXRKAWANMRFNH-VPTHRUTESA-N	409.211	3.818	5	1	HHBF	
COc1ccc([N+](=O)[O-])cc1-c1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)o1	962917553	HITJVYIHKYKHSB-OXJNMPFZSA-N	412.373	3.691	5	1	HHBF	
O=[N+]([O-])c1c(Br)ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12	587118158	KAWLSHZXVGCAIP-UHFFFAOYSA-N	404.146	3.692	5	1	HHBF	
O=Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587575059	HYMWGTMGJMNREY-DYESRHJHSA-N	407.334	3.521	5	1	HHBF	
O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccccc1	587225992	ZVFKAMPFYRDVOA-LJQANCHMSA-N	417.381	3.899	5	1	HHBF	
COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587749182	XTTLQYDURBJEND-VVVCHXIZSA-N	423.238	3.907	5	1	HHBF	
COC(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1OC	587269863	HZUAUFOMAFOALX-UHFFFAOYSA-N	404.382	3.995	5	1	HHBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c([N+](=O)[O-])cnn1C	587859970	KHOTWMUYWOOYHC-UHFFFAOYSA-N	410.217	3.586	5	1	HHBF	
Cc1ccc2c(OCCN3CCN(Cc4ccc(C)c([N+](=O)[O-])c4)CC3)cccc2n1	13643845	STHBOQUYXBHUNT-UHFFFAOYSA-N	420.513	3.956	5	1	HHBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N(C)C	771945	BZIIUHIROJSEOV-PKOBYXMFSA-N	417.849	3.827	5	1	HHBF	
CC(C)=CCC[C@@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@@H](O)[C@@H]1O	84757504	COFDSERLUVMGOX-AKIFATBCSA-N	412.438	3.649	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587742802	AZQXUYZKMKNZPB-ZKANADHPSA-N	409.211	3.638	5	1	HHBF	
C[C@H]1CCCN([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1	13130904	XSRGLQSRXPRKSS-VBKZILBWSA-N	403.479	3.545	5	3	HHBF	
O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCOCC1	27634308	LMOVCVUZINGFOO-UHFFFAOYSA-N	413.865	3.683	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1	587262260	GVUUFWQOPLOXNP-VIFPVBQESA-N	417.349	3.660	5	1	HHBF	
CC(C)(C)SC[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	169321959	SSGMHQUEHNKZOC-CYBMUJFWSA-N	402.468	3.916	5	1	HHBF	
O=[N+]([O-])c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12	586946536	RIDUXRRBMFDLRC-UHFFFAOYSA-N	420.497	3.740	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1	587003016	ZXYWTXIISLHOPM-UPHRSURJSA-N	403.192	3.570	5	1	HHBF	
CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	587048463	BMGDXFSVGKMGGQ-XBXARRHUSA-N	406.851	3.545	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)nn1CC(F)(F)F	587091607	GPSBSOLZAZITGA-UHFFFAOYSA-N	408.109	3.799	5	1	HHBF	
COC1=C[C@@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@@H]2C=C1	195368432	WYGAYLIPQHONKL-GKIWIXTESA-N	410.474	3.526	5	1	HHBF	
CC(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1	587079681	LYWSGWUMZDQOCX-UHFFFAOYSA-N	400.782	3.535	5	1	HHBF	
Cc1ccc2c(ccc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c32)n1	587265847	HNUSAHFDRNXCCG-VOJFVSQTSA-N	422.401	3.770	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1	587863113	RAUYYRLRXBSXMN-NSHDSACASA-N	423.351	3.892	5	1	HHBF	
O=[N+]([O-])c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1	587119096	VPKNUJCVAAHSNA-UHFFFAOYSA-N	404.146	3.692	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@](c1cccc([N+](=O)[O-])c1)(c1nccn1C)CC2=O	587473098	PWOYGVVPAQMGKQ-JOCHJYFZSA-N	407.426	3.895	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2cc([N+](=O)[O-])ccc12	587574730	GYVZIWUDRGNBRB-LAUBAEHRSA-N	403.350	3.880	5	1	HHBF	
O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	103211746	SUNLRPWVCMGOLN-HXUWFJFHSA-N	412.409	3.858	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(OC(F)(F)F)cc3)c1)C2	72125886	IVZNOHCUYRMNMT-AWEZNQCLSA-N	422.319	3.592	5	1	HHBF	
CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	40938783	NFYQXZKSAPIOMI-INIZCTEOSA-N	404.785	3.654	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)[C@@H](C2)C3=O	587430386	HKBOWFCNTDHNDQ-KSFYIVLOSA-N	421.409	3.634	5	1	HHBF	
CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)c3cccc1c32	963028304	MATJRQWRUQKQLM-ZMZPIMSZSA-N	407.348	3.636	5	1	HHBF	
C[C@]1(COc2ccc(-c3ccc(F)cc3F)nc2)CCn2cc([N+](=O)[O-])nc2O1	1772635186	VNSRIXOXOAGRPH-LJQANCHMSA-N	402.357	3.752	5	1	HHBF	
O=c1c2ccc(Cl)cc2[nH]c2nc3sc4nc5ccccc5nc4n3c(=O)c12	102066294	LIORSEKXISKFNR-UHFFFAOYSA-N	405.826	3.501	5	1	HHBF	
O=C1c2ccccc2C(=O)N1Nc1ncnc2scc(-c3ccc([N+](=O)[O-])cc3)c12	299829684	KZXHQRAQIGPIGL-UHFFFAOYSA-N	417.406	3.890	5	1	HHBF	
O=C(OCc1ccccc1)n1c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1	653708489	PVJGAWLDHZZBCM-UHFFFAOYSA-N	403.394	3.944	5	1	HHBF	
O=[N+]([O-])c1cccc(OCC(COc2cccc([N+](=O)[O-])c2)N2CCCCC2)c1	2178320072	DXKOJVDYOIEOIM-UHFFFAOYSA-N	401.419	3.815	5	1	HHBF	
CSc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1	587267464	ZMLUFCUBGMWAFR-JDNHERCYSA-N	403.420	3.635	5	1	HHBF	
COc1ccc(C2=NO[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2c2ccccc2)cc1	103236545	VFIWOQCPQBZGGP-NFBKMPQASA-N	415.405	3.969	5	1	HHBF	
O=[N+]([O-])c1cc(CSc2nnc(CCCN3CCCCC3)o2)cc([N+](=O)[O-])c1	1772577004	JCYQVPHKBHCOCJ-UHFFFAOYSA-N	407.452	3.597	5	1	HHBF	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC)C(C)=N1	169723414	RFJHFCFIJPIWAJ-ROUUACIJSA-N	402.447	3.950	5	1	HHBF	
CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1	586936313	LJNUHZOTBJVIQX-JTQLQIEISA-N	408.867	3.868	5	1	HHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Br)cnc(Cl)c2[nH]1	587269792	QERLAHFPBCXVLV-UHFFFAOYSA-N	411.599	3.674	5	1	HHBF	
COc1c(O)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587574964	HKPQGFQIQJTTDX-UZLBHIALSA-N	409.350	3.718	5	1	HHBF	
CCOC(=O)Cc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587266244	XRXXLEUXBOAONS-NSHDSACASA-N	413.390	3.658	5	1	HHBF	
COc1cc2c(cc1OC)[C@](C)(c1ccc([N+](=O)[O-])cc1F)NCC21CCOCC1	963190374	NFTODUXISFZIFE-NRFANRHFSA-N	416.449	3.666	5	1	HHBF	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O	587748832	WTJLRUCXWTXFDA-CQLKUDPESA-N	411.227	3.834	5	1	HHBF	
NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c([N+](=O)[O-])o2)c1F	103234523	MSHGNEOWWWMUFK-UHFFFAOYSA-N	409.732	3.859	5	1	HHBF	
O=C(N1CCC=C[C@@H]1COCc1ccccc1)n1cc(-c2ccc([N+](=O)[O-])cc2)nn1	1857766468	OIDVWUSONRQJHL-HXUWFJFHSA-N	419.441	3.669	5	1	HHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C=CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1	49088241	JCTRWHCGIWSFAF-XLIONFOSSA-N	412.442	3.655	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c3cccnc3c3ncccc3c2[nH]1	587266099	ZNFLNWVBACLBHJ-AWEZNQCLSA-N	400.398	3.516	5	1	HHBF	
NCC1CCC(CNc2nc(NCc3cccc(Cl)c3)ncc2[N+](=O)[O-])CC1	28898361	VBAXIUUDXRYICH-UHFFFAOYSA-N	404.902	3.827	5	1	HHBF	
C[S@@](=O)(=NC(=O)c1ccccc1)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	60168541	RQURKXOUUOQWTC-PMERELPUSA-N	421.430	3.942	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2	653722468	NYFKJKHVUJQZES-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
CCOC(=O)CNc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1	587226900	FOGUEDYQYSPSKR-UHFFFAOYSA-N	419.235	3.876	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	587871302	FKWREQBODPWEDL-UHFFFAOYSA-N	414.349	3.901	5	1	HHBF	
CC(C)(C)n1ncc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1=O	34585314	LOGABJPWKBUJFA-UHFFFAOYSA-N	421.866	3.902	5	1	HHBF	
O=C(NCC1CC1)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	82135450	IVQSKSOSVXVKBH-UHFFFAOYSA-N	403.442	3.804	5	1	HHBF	
COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587749181	XTTLQYDURBJEND-HUTHGQBESA-N	423.238	3.907	5	1	HHBF	
O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F	587148523	BLKWKZOPFJXPKB-UHFFFAOYSA-N	411.143	3.860	5	1	HHBF	
Cc1cc(F)ccc1OC[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13580989	LXQULPMKYMREAM-KRWDZBQOSA-N	416.327	3.830	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2	115605504	XIKLEESAKIVDNK-GFCCVEGCSA-N	420.347	3.960	5	1	HHBF	
CN(C)C(=O)c1ccc2c(c1)[C@@](c1cccc(F)c1)(c1cccc([N+](=O)[O-])c1)NCC2	962929661	VMACBJVOVIWNER-XMMPIXPASA-N	419.456	3.873	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1[N+](=O)[O-]	587267357	JNFYNZOEWZTSJO-IBGZPJMESA-N	405.418	3.723	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1	587577334	RWFPTRLZWIZHEX-WIYYLYMNSA-N	421.361	3.790	5	1	HHBF	
Cc1ccnc2c1CCN[C@]2(C[C@H]1CC[C@H](C(=O)O)CC1)c1ccc([N+](=O)[O-])cc1	963065515	FBDQKUMCMJYEIL-SEPYTNNBSA-N	409.486	3.969	5	1	HHBF	
O=[N+]([O-])c1cc(Br)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12	586927924	ZSAVZFVXOPLFJV-SREVYHEPSA-N	408.233	3.678	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C	587871157	BUOHVQVYUBAZIN-GFCCVEGCSA-N	415.425	3.786	5	1	HHBF	
CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC3	169686291	RUOMRVIJJPUZCT-ZWKOTPCHSA-N	408.458	3.868	5	1	HHBF	
Ic1nccnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1	587186744	RGJWKLHBFWLXIW-UHFFFAOYSA-N	424.205	3.721	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587750148	GWLMDINCHRAJNQ-WNWIJWBNSA-N	409.211	3.849	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1[C@@H](CO)CC3	14945601	OIWOJECTXFWECL-GFCCVEGCSA-N	413.408	3.931	5	1	HHBF	
COc1cc2cc(CN3CCC[C@H]3CO)c3cc(OC)c(OC)cc3c2cc1OC	103201204	ZAPYPRHLYZSKLM-KRWDZBQOSA-N	411.498	3.984	5	1	HHBF	
COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587178799	LJPVRUQLQKWOBZ-UHFFFAOYSA-N	424.198	3.642	5	1	HHBF	
COc1c(O)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587746291	MEHROEYJWMOCCL-AYVTZFPOSA-N	411.227	3.834	5	1	HHBF	
COC(=O)C1=Nc2c(C)nn(-c3ccccc3)c2N=C(c2ccc([N+](=O)[O-])cc2)C1	5940516	AYYLSMYUWYZQCT-UHFFFAOYSA-N	403.398	3.859	5	1	HHBF	
COC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1	28635272	JJMGVDUEBPUOGG-URXFXBBRSA-N	408.498	3.980	5	1	HHBF	
CC[C@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1	587185709	WPXSQSPQOSYUFE-CYBMUJFWSA-N	411.203	3.580	5	1	HHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263362	LWFCZEWWTTTYOO-QNSHHTMESA-N	400.660	3.639	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587274268	OXPOTDIWGMDYLC-UHFFFAOYSA-N	420.145	3.685	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(OC)c1[N+](=O)[O-])[C@@H](C2)C3=O	587423205	SDWXXYVLLVJUAG-GTNSWQLSSA-N	407.325	3.702	5	1	HHBF	
C[C@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963229612	PPTSZIYEGSLMCI-GHTZIAJQSA-N	411.845	3.853	5	1	HHBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577958	VBPHZBWPDKBROM-SIKLNZKXSA-N	405.362	3.747	5	1	HHBF	
COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@]1(C)NCCc2c(OC)ccc(Cl)c21	963259788	UPVGRCNALFIMBN-NKSQBSFPSA-N	416.861	3.874	5	1	HHBF	
COc1ccc2[nH]c3nc4ccnc(NCCCN(C)CCCN)c4c(C)c3c2c1	28878597	FBHBJXXGYFQZTB-UHFFFAOYSA-N	406.534	3.664	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@](CO)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1	587331667	FCQLMYZNZHNULW-RBBKRZOGSA-N	409.369	3.686	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587752875	UCICFOAXWYPURY-QPFGOUBPSA-N	405.227	3.996	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587754665	ZXJJVXSDROPZJF-RBHXEPJQSA-N	409.211	3.849	5	1	HHBF	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1	29045165	SOFGQQQVQZQJFS-INIZCTEOSA-N	417.531	3.792	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	587577991	VINLHTGEAIMOAI-OXQOHEQNSA-N	424.321	3.617	5	1	HHBF	
O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c([N+](=O)[O-])c1	587264513	NCPMCGQYPFJYBJ-UHFFFAOYSA-N	422.151	3.641	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1	587170991	WSYUVVRCNZGQGO-UHFFFAOYSA-N	419.419	3.535	5	1	HHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1F	587139959	UEFQUNDGOPEDGM-UHFFFAOYSA-N	414.784	3.990	5	1	HHBF	
Cc1nc2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2cc1Br	587117991	YVAILNVOEMBJBX-UHFFFAOYSA-N	419.161	3.509	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587748926	BQVRYPWORZTYHW-VPTHRUTESA-N	405.227	3.996	5	1	HHBF	
COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1OC	587787685	WYZWGJKTNUPMIM-UHFFFAOYSA-N	406.192	3.730	5	1	HHBF	
COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)c(OC)cc1n3CCN(C)C	1857571383	JYMAQNRWXBYWGT-UHFFFAOYSA-N	412.511	3.957	5	1	HHBF	
CN(C)CCN=c1c2ccccc2n(C)c2c1oc1ccc(OCC[N+](C)(C)C)cc12	1772583591	XVMJEFOJHTVIOM-UHFFFAOYSA-N	421.565	3.625	5	1	HHBF	
COc1cc(Cl)c(CNC(=O)NCc2cccc([N+](=O)[O-])c2)c(Cl)c1OC	169328423	QKUMFWUMYCDESU-UHFFFAOYSA-N	414.245	3.918	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](OCc1ccc(F)cc1)CCO2	1857601637	YDVHRMGHJRKKQN-KRWDZBQOSA-N	418.421	3.698	5	1	HHBF	
O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	27985488	LSLNSHNKJSFFPD-UHFFFAOYSA-N	412.448	3.793	5	1	HHBF	
CCOC(=O)C1=C(OCC)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	29313233	DKLDVYLLFKKKTN-ORMOWBNMSA-N	404.419	3.770	5	1	HHBF	
COCCOc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-]	587264670	HGBDVNIWWZAOMU-UHFFFAOYSA-N	417.731	3.577	5	1	HHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1	587109475	KYYVXIPYSSNGIO-UHFFFAOYSA-N	420.391	3.913	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc([N+](=O)[O-])ccc1OC)[C@@H](C2)C3=O	587434794	ZTYAJEHMCDSPHQ-NYHFZMIOSA-N	406.394	3.891	5	1	HHBF	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135562	GPPPLTKPYMQGEK-GJZGRUSLSA-N	409.490	3.992	5	1	HHBF	
Nc1ncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587267749	FXPGFNACQBLTSS-UHFFFAOYSA-N	402.130	3.897	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587750146	GWLMDINCHRAJNQ-QPFGOUBPSA-N	409.211	3.849	5	1	HHBF	
CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586934524	AZNMPLXZHWEDDL-AWEZNQCLSA-N	420.516	3.552	5	1	HHBF	
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc([N+](=O)[O-])cc4)cc3)ccc12	1857537784	JLYIDWRSRDJZRN-UHFFFAOYSA-N	403.414	3.924	5	1	HHBF	
COc1ccc(NS(=O)(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]	96908612	ZCTFAXURSPKLCS-SNAWJCMRSA-N	424.303	3.712	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(C)c1[N+](=O)[O-]	587267431	KOSIKCHBRBIQKO-UHFFFAOYSA-N	417.351	3.760	5	1	HHBF	
CCOC(=O)C[C@]1(c2c(Cl)cccc2[N+](=O)[O-])CC(=O)c2cc(C)cc(N)c2O1	587374763	JKUYDQYRCDMGAT-FQEVSTJZSA-N	418.833	3.953	5	1	HHBF	
COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	587230556	HWCNFXQQPPWHNT-CABCVRRESA-N	403.486	3.696	5	1	HHBF	
CC(=O)Oc1ccc2c(=O)c3c(O)c4c(cc3oc2c1OC(C)=O)OC(C)(C)C=C4	2356649681	UZONEDPOCYAYBH-UHFFFAOYSA-N	410.378	3.687	5	1	HHBF	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134589	SDRGMDUIYFVEIA-HNAYVOBHSA-N	409.490	3.961	5	1	HHBF	
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1C	1772628386	FYUVOSNYWKEKJH-UHFFFAOYSA-N	404.400	3.627	5	1	HHBF	
NS(=O)(=O)c1ccc(NCc2cccc3c(=O)c4ccc(Cl)cc4oc23)cc1	5581433	GGHSLRUUWOQUIQ-UHFFFAOYSA-N	414.870	3.859	5	1	HHBF	
O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575936	LIFYWYSNSXHOLZ-UWJYYQICSA-N	407.334	3.521	5	1	HHBF	
NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	13878903	HSRRYQAMGORNRW-IBGZPJMESA-N	410.474	3.686	5	3	HHBF	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149347	LEJQJTPYRTZNMQ-GASCZTMLSA-N	409.490	3.992	5	1	HHBF	
CCCS(=O)(=O)N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1	586952416	KEKNXYZWLCXJKL-UHFFFAOYSA-N	409.515	3.579	5	1	HHBF	
CC(C)(C)OC(=O)NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCC(O)CC1	587237265	PHMVOXBLVYWFID-UHFFFAOYSA-N	410.858	3.779	5	1	HHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1	587264669	PGTVFGOPDVCMIG-ZIDLFYJRSA-N	409.761	3.706	5	1	HHBF	
COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1	587572836	AAMNBQQIOXRVEI-NQIIRXRSSA-N	421.361	3.790	5	1	HHBF	
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1	653833361	FJYJCKJDRVGQFG-CQSZACIVSA-N	408.414	3.719	5	1	HHBF	
O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587575063	HYMWGTMGJMNREY-UWJYYQICSA-N	407.334	3.521	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587753367	VJMYKADUAXGOLM-YYSFKGJASA-N	405.223	3.861	5	1	HHBF	
O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1nc2ccccc2[nH]1	1857762168	WVNPCZMLRDZFJV-UHFFFAOYSA-N	412.456	3.720	5	1	HHBF	
CCOc1ccccc1-c1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)co1	72183782	QYLWFMIFNDEVFW-UHFFFAOYSA-N	408.458	3.971	5	1	HHBF	
O=[N+]([O-])c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1	221035806	NIYVLORLKIVELT-UHFFFAOYSA-N	403.332	3.754	5	1	HHBF	
COc1ccc(CN2C[C@@H]3CCC[N@@+]4([O-])CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1	299811226	RKZMAOCKVVYHIY-QIEZQMNFSA-N	402.535	3.638	5	1	HHBF	
C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-]	586988113	ZIMIGFLWQCLNSO-LEWSCRJBSA-N	418.405	3.720	5	1	HHBF	
Cc1nc(NCc2cccc(OC(F)(F)F)c2)nc(-n2ccnc2C)c1[N+](=O)[O-]	28821414	ULZNCSWZDZBIAS-UHFFFAOYSA-N	408.340	3.698	5	1	HHBF	
O=C(NCc1ccccc1)c1cccn2c(=O)c3cc(Br)ccc3nc12	8661849	DQBNRBVVGMFHJT-UHFFFAOYSA-N	408.255	3.540	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587116994	PAVPAZCJDYSRRI-UHFFFAOYSA-N	404.692	3.605	5	1	HHBF	
COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587745518	JTAHBLYTHQLFHL-BCTVWOGZSA-N	411.227	3.834	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O	587473405	UBSYENFGSDHPGG-NRFANRHFSA-N	412.442	3.796	5	1	HHBF	
COc1ccc(CSc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1	1857579285	CURHVYMNXLOUPD-UHFFFAOYSA-N	401.404	3.599	5	1	HHBF	
CC(C)(C)OC(=O)N1CCN(C(=S)S[C@@H](C[N+](=O)[O-])c2ccccc2)CC1	1857651998	YSMCRBPKEUNJIF-HNNXBMFYSA-N	411.549	3.575	5	1	HHBF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586984123	IHBJYIQWYRPIKF-INIZCTEOSA-N	403.236	3.654	5	1	HHBF	
COc1ccc([C@H](C)NC(=O)c2cc3c(ccc4c(C)cc(=O)oc43)oc2=N)cc1	653809960	CEBRFHRDNVFBOY-ZDUSSCGKSA-N	404.422	3.827	5	1	HHBF	
CC(C)=CCc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)C[C@H](C(C)(C)O)O4	2356582553	MWJTZEZNHBWDNU-QGZVFWFLSA-N	412.438	3.646	5	1	HHBF	
O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)OCCC1CCCCC1	82084982	UHWLQXQAMQHPCB-UHFFFAOYSA-N	417.487	3.962	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2	587390564	ROCYEUIYQWDJJC-VVOOWDFBSA-N	405.454	3.956	5	1	HHBF	
C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963229614	PPTSZIYEGSLMCI-NQIIRXRSSA-N	411.845	3.853	5	1	HHBF	
COc1ccc2c(CCNC(=O)/C=C/c3ccccc3)c(C(C)=O)[nH]c2c1[N+](=O)[O-]	1620072	UCVMCGBMQOQNEJ-DHZHZOJOSA-N	407.426	3.659	5	1	HHBF	
CC1=Nc2cc(=O)[nH]c(=S)n2[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C	101945596	CUGWHLMDECMHTQ-UYTDBDHRSA-N	402.432	3.704	5	1	HHBF	
CCCC[C@@H](/C=C1/C[C@@](CO)(COC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O)CC	40915307	VVJHXKZXFGSSSC-FGTRLDIDSA-N	405.447	3.572	5	1	HHBF	
COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O	587434631	XGPNFCLOBSRKRS-YZNWQDJRSA-N	418.449	3.856	5	1	HHBF	
COc1nccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587053780	GTKRWRJKYPQXLC-CQSZACIVSA-N	403.826	3.655	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C	587862607	FJOSAUAGEPYKEB-UHFFFAOYSA-N	423.351	3.721	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)O2	587388685	GGJWKVSVPTUPOF-JOCHJYFZSA-N	405.410	3.545	5	1	HHBF	
CC(C)Oc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587260494	SCYVWAOSIHLFRW-WOPDTQHZSA-N	424.295	3.773	5	1	HHBF	
COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587577710	UFYYNGAVTUIWDM-GCJKJVERSA-N	423.377	3.892	5	1	HHBF	
Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2Oc2ccc([N+](=O)[O-])cc21	963513112	YJHRRMGWCHEEDP-FDDCHVKYSA-N	418.405	3.605	5	1	HHBF	
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1	1857570903	XSSJDHVUDMYIMJ-CQSZACIVSA-N	424.482	3.884	5	1	HHBF	
C[S@](=O)(=NC(=O)c1ccccc1)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	141017272	RQURKXOUUOQWTC-SSEXGKCCSA-N	421.430	3.942	5	1	HHBF	
COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573489	CNYKMALGYINWGV-GHTZIAJQSA-N	421.361	3.790	5	1	HHBF	
C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276071	IUODKXNGFYCIRZ-LURJTMIESA-N	415.045	3.802	5	1	HHBF	
O=C1Cn2c(nc3ccccc32)-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2N1	1857552612	WMBNLDJVGATBAB-UHFFFAOYSA-N	413.393	3.816	5	1	HHBF	
Cc1ccc2c(OCCN3CCN(Cc4ccc(F)c([N+](=O)[O-])c4)CC3)cccc2n1	3816903	MQYAWJIUZAPHBE-UHFFFAOYSA-N	424.476	3.787	5	1	HHBF	
COc1ccc(C(C)=O)cc1CSc1nc2cc([N+](=O)[O-])ccc2n1CC(=O)O	68246018	RHDWLMRVAOZBLN-UHFFFAOYSA-N	415.427	3.533	5	1	HHBF	
Cc1oc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1[N+](=O)[O-]	587269631	XBFOMVPUEWGKRL-UHFFFAOYSA-N	404.551	3.693	5	1	HHBF	
O=C(O)c1cc(Br)cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12	587159241	NWMYVSQYQRBNAP-UHFFFAOYSA-N	410.155	3.650	5	1	HHBF	
COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCc1ccccc1	13741641	AWWUHDMNINVJHM-UHFFFAOYSA-N	402.511	3.926	5	1	HHBF	
Cc1onc(-c2nc3c(cnc4ccccc43)[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079011	DPPBFFCDRHYPIE-UHFFFAOYSA-N	409.793	3.881	5	1	HHBF	
COC(=O)c1cc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2cc1OC	587110145	UFRCXPZEQKLBHB-UHFFFAOYSA-N	409.320	3.876	5	1	HHBF	
C[C@@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O	1772632744	FTUGETCIOLTCQV-AFJIDDCJSA-N	413.455	3.680	5	1	HHBF	
COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1OC	4108201	RKEVMHJVHXBYFD-UHFFFAOYSA-N	404.422	3.848	5	1	HHBF	
COCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82147627	IPHIMDWDKYHFCH-UHFFFAOYSA-N	413.478	3.563	5	1	HHBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[C@@]1(O)CCCN1C3	14824796	LFODCKPGVPYOQF-DEOSSOPVSA-N	409.482	3.868	5	1	HHBF	biogenic
O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3c([N+](=O)[O-])cccc3n12	40421927	OJXFDLBSXFJMCE-UHFFFAOYSA-N	404.430	3.686	5	1	HHBF	
O=[N+]([O-])c1cnc(N[C@H](CO)Cc2ccccc2)nc1Nc1ccc2ncsc2c1	64553711	RADWHZKVMJXLJZ-HNNXBMFYSA-N	422.470	3.754	5	1	HHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(I)cc2[nH]1	587158810	JQPINISACNIFNV-UHFFFAOYSA-N	413.146	3.794	5	1	HHBF	
O=c1nc(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)sc2ccc(Cl)cc12	1772646363	BGHFHOWZDUGIJU-UHFFFAOYSA-N	416.890	3.540	5	1	HHBF	
O=C(O)c1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587573960	DRKYMVZBEBVKKB-YLJYHZDGSA-N	407.334	3.702	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1[N+](=O)[O-]	587267495	LDJORPBNPQPODE-UHFFFAOYSA-N	409.377	3.837	5	1	HHBF	
O=c1[nH]n([C@@H](c2ccccn2)C2CCCC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12	13553688	VIURRUCEASJZMV-LJQANCHMSA-N	422.872	3.772	5	1	HHBF	
CC1(C)C=Cc2c(c([C@@H](O)[C@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1	14768889	MDJODYOPXIPBEH-WIYYLYMNSA-N	410.422	3.752	5	1	HHBF	biogenic
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)O)cc2[nH]1	587057462	XDAJDYOAKNXFPB-INIZCTEOSA-N	416.821	3.950	5	1	HHBF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O	587430245	GAFOVOHSACYZCI-XDHUDOTRSA-N	413.385	3.839	5	1	HHBF	
COc1ccc(-c2nnc(-c3ccc4nc(-c5cc([N+](=O)[O-])nn5C)[nH]c4c3)o2)cc1	587275091	TYTNWOIJXIWQTP-UHFFFAOYSA-N	417.385	3.597	5	1	HHBF	
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1	15952291	NYHCZFJMWOOBIO-UHFFFAOYSA-N	401.806	3.602	5	3	HHBF	
COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC(C)C)n2)cc1[N+](=O)[O-]	82222816	IZQOKKSNMPUHPC-ZDUSSCGKSA-N	424.548	3.785	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587264407	RHIYRWISMPLDMA-VIFPVBQESA-N	418.337	3.870	5	1	HHBF	
COc1cc2c(cc1OC)[C@@](C)(c1ccc([N+](=O)[O-])cc1F)NCC21CCOCC1	963190375	NFTODUXISFZIFE-OAQYLSRUSA-N	416.449	3.666	5	1	HHBF	
CC(C)=CCc1c2c(c(O)c3c(=O)c4c(O)ccc(O)c4oc13)C[C@@H](C(C)(C)O)O2	14610220	BOLYIYCSCKSMCJ-HNNXBMFYSA-N	412.438	3.646	5	1	HHBF	biogenic,in-vitro
COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N+](C)(C)CC3	238762800	UKCPFYZTMTVAHY-MRXNPFEDSA-N	400.495	3.626	5	1	HHBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577044	QTZUYQHRBLHFIC-KNQAVFIVSA-N	407.378	3.804	5	1	HHBF	
COc1cncc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587053172	CGHFJPWEEXMNIJ-HNNXBMFYSA-N	403.826	3.655	5	1	HHBF	
COc1ccc([N+](=O)[O-])cc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1	13579689	XZWVZRGOXWGGDV-GOSISDBHSA-N	406.866	3.927	5	1	HHBF	
O=[N+]([O-])c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F	587119612	ZHSHZINAOZUJEB-UHFFFAOYSA-N	422.136	3.831	5	1	HHBF	
COc1cccc2c(=O)c3c(OC[C@@H]4CS4)cc(OC[C@@H]4CS4)cc3oc12	198496295	JKMAGCYHUGRTJH-CHWSQXEVSA-N	402.493	3.943	5	1	HHBF	
NS(=O)(=O)c1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12	587271734	HSFFBDANYNARAE-UHFFFAOYSA-N	410.411	3.578	5	1	HHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586920577	NCTXCPAONNZHJB-UHFFFAOYSA-N	419.422	3.541	5	1	HHBF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1	586937913	HHLSYSPEAZPTDD-CYBMUJFWSA-N	405.483	3.642	5	1	HHBF	
O=Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587575935	LIFYWYSNSXHOLZ-UTKZUKDTSA-N	407.334	3.521	5	1	HHBF	
Cc1cccc([C@H]2CC(=O)N(Cc3cccnc3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1	26489530	MKAMQGNYEYHIKP-JRFVFWCSSA-N	417.465	3.998	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(C(F)(F)F)cc3)ccn1)C2	66251622	PWJJQQTVSWVGDX-INIZCTEOSA-N	420.347	3.850	5	1	HHBF	
COCCOc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1[N+](=O)[O-]	587264779	JPBCBSFEGJNMRT-UHFFFAOYSA-N	407.224	3.629	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc([N+](=O)[O-])ccc12	587579128	YXBLSZAJRSZMOB-UGKGYDQZSA-N	405.362	3.940	5	1	HHBF	
Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nnn1Cc1ccc(Cl)cc1	587073789	NCURZMNDVNIRAY-UHFFFAOYSA-N	413.781	3.648	5	1	HHBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	587746148	JHLNMWJTJPIGOQ-MLCYQJTMSA-N	407.239	3.863	5	1	HHBF	
Cc1ccccc1NC(=O)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O	103292073	NEKASNOSJKTHJE-UHFFFAOYSA-N	407.857	3.756	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(OC)cc2[nH]1	587264434	RPJDVAVUVMYDGB-LLVKDONJSA-N	415.402	3.840	5	1	HHBF	
COc1c(O)c(OC)c2oc3cc4c(c(O)c3c(=O)c2c1OC)C=CC(C)(C)O4	1857617856	CVILJWHJNNIMDV-UHFFFAOYSA-N	400.383	3.567	5	1	HHBF	
CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1-n1nnn(-c2ccccc2Cl)c1=O	587644879	PMVWMWGXCKEQRN-UHFFFAOYSA-N	412.837	3.759	5	1	HHBF	
Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c1	15935114	YYDPHDADJRUNKK-FQEVSTJZSA-N	424.501	3.913	5	3	HHBF	
CCOC(=O)c1nc(O)c2cc3cc(OC)c(OCc4ccccc4)cc3nc2n1	26579225	QECQDIAWRNBGLO-UHFFFAOYSA-N	405.410	3.648	5	1	HHBF	
COP(=O)(OC)[C@H](OC(=O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1	35901559	AGKPWMDGQATYLR-KRWDZBQOSA-N	413.294	3.841	5	1	HHBF	
O=C1O[C@]2(C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)c2ccccc21	653847614	CHXIFGKFNXIKRL-QFIPXVFZSA-N	415.361	3.591	5	1	HHBF	
Nc1ccc(-c2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)cc1N	587270720	ZFBKWSVVNKYZNP-UHFFFAOYSA-N	412.413	3.550	5	1	HHBF	
CN1C(=O)C[C@H]2CN[C@@H](c3cc(F)c(Br)cc3[N+](=O)[O-])c3cccc1c32	963023190	LLOFWTHGGGDTMY-NIVTXAMTSA-N	420.238	3.639	5	1	HHBF	
Cn1cc(-c2ncc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)s2)cn1	587021141	FQLKYCPQKXJFSH-UHFFFAOYSA-N	405.237	3.758	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CO)C3	14945603	CUURVHIMRYQQCQ-JTQLQIEISA-N	413.408	3.616	5	1	HHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)O[C@H]2C=CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723517	FBNLROVTWWRYAA-CMKODMSKSA-N	412.442	3.868	5	1	HHBF	
COc1cc2c(C=O)c3c4c(c(OC)c(OC)c(OC)c4c2cc1OC)CCN3C	15217418	JSQVAGZIQIKFIG-UHFFFAOYSA-N	411.454	3.841	5	1	HHBF	endogenous,in-man
COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	587748713	VVXWJPHNHCXXND-HUTHGQBESA-N	423.238	3.907	5	1	HHBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@]1(C(=O)O)CCCN1C3	95601392	RNWFGBUAEDLZBA-XMMPIXPASA-N	407.466	3.994	5	1	HHBF	
Nc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc([N+](=O)[O-])c1	587656264	IINNZRWBSJPJLL-UHFFFAOYSA-N	422.347	3.521	5	1	HHBF	
CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)c1ccc([N+](=O)[O-])cc1	587650159	GICMTFBIUHXRDQ-UHFFFAOYSA-N	401.444	3.855	5	1	HHBF	
N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1F	587143974	GRODMFPJWTXLKN-JTQLQIEISA-N	424.186	3.523	5	1	HHBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC1CCCCC1	82083052	YZDXYSXDBANJRV-CYBMUJFWSA-N	416.503	3.533	5	1	HHBF	
O=C(O)c1cc([N+](=O)[O-])ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587573953	DRKYMVZBEBVKKB-FXAWDEMLSA-N	407.334	3.702	5	1	HHBF	
CC1=NC(=O)N(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OC(C)C	169730100	IWJIBGYBGASQKY-CVEARBPZSA-N	405.407	3.645	5	1	HHBF	
C[C@@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13554382	FWRSZVPNBCWJAI-MRXNPFEDSA-N	415.393	3.678	5	1	HHBF	
COC(=O)N1C(SC)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	96272070	LKMPQVKFYZRLGB-HNNXBMFYSA-N	407.448	3.663	5	1	HHBF	
CC(=O)N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	587205492	BEBNQKPWUSZEDL-OAHLLOKOSA-N	417.263	3.962	5	1	HHBF	
COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1	587743882	BXPNVAODRARBLK-VVVCHXIZSA-N	423.238	3.907	5	1	HHBF	
Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1[N+](=O)[O-]	587572879	ABLAFQYYSAFYEI-DYESRHJHSA-N	409.398	3.534	5	1	HHBF	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1	587014632	VLWUEBWDGSKDKZ-UHFFFAOYSA-N	420.407	3.528	5	1	HHBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2nc(Br)c[nH]c-2n1	587109802	NSQQILXYMDWKGE-UHFFFAOYSA-N	402.130	3.585	5	1	HHBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCNc4ccccc4)cn3c(=O)c2c1	29394303	PFLUMNJXCBRKON-UHFFFAOYSA-N	400.482	3.813	5	1	HHBF	
CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c2ncn(C(C)C)c2c1	61949022	PQMZPBNFHIGAQN-AWEZNQCLSA-N	412.446	3.927	5	3	HHBF	
CCOc1ccc(C(=O)CN2C=CC(=C3C=CC(N(C)C)C=C3)C=C2)cc1[N+](=O)[O-]	2356861049	IATRUVHHUOGCHS-UHFFFAOYSA-N	407.470	3.872	5	1	HHBF	
CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4cccc([N+](=O)[O-])c4)c3n2)CC1	40872682	YWNTWUJJHROKJE-UHFFFAOYSA-N	417.391	3.976	5	1	HHBF	
Cc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587660561	GWANIIVEUSPTNV-ZDUSSCGKSA-N	421.388	3.517	5	1	HHBF	
COCCNc1ccc(-c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1[N+](=O)[O-]	587262536	WHDYDAQPYFFDNL-UHFFFAOYSA-N	404.810	3.636	5	1	HHBF	
O=[N+]([O-])c1cnc(/C=C/c2ccc(Cl)cc2)n1CCn1cc(-c2ccccn2)nn1	1857766743	QHBLLIQMGBYLMP-RMKNXTFCSA-N	421.848	3.969	5	1	HHBF	
CC(C)Oc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1	587266743	NYJQICXCRPTSRI-BBATYDOGSA-N	415.406	3.701	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587754088	XOUAMTNMERTNFG-ZKANADHPSA-N	405.227	3.996	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(C(F)(F)F)cc3)n1)C2	72126132	YLWNEDJLLTVBRP-ZDUSSCGKSA-N	406.320	3.712	5	1	HHBF	
Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	586941465	UCULEBVYXFOJTN-SREVYHEPSA-N	406.851	3.523	5	1	HHBF	
CNC(=O)c1cc(Oc2ccc(C3=NN[C@H](c4ccc([N+](=O)[O-])cc4)C3)cc2)ccn1	1857640494	CAYGUSOXJNMPLI-IBGZPJMESA-N	417.425	3.580	5	1	HHBF	
COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1	221594305	FPLRCDJDIPDEFS-HOUBMWHVSA-N	415.449	3.616	5	1	HHBF	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135671	SVLZKEJGBSQWAC-IYBDPMFKSA-N	409.490	3.770	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnc(Cl)[nH]c-2n1	587055864	QXFRZIPYKMIPGB-GFCCVEGCSA-N	409.233	3.647	5	1	HHBF	
CCOC(=O)[C@@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12	100665506	GTQDBWCKNHFWKA-ZCCVYIOPSA-N	406.460	3.960	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1	587867807	BVUSFJVNPMWZIQ-UHFFFAOYSA-N	406.320	3.878	5	1	HHBF	
O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)OCCC1CCCCC1	82084933	IBHLFIADVVJWNK-UHFFFAOYSA-N	417.487	3.962	5	1	HHBF	
O=c1c2cc(Cl)ccc2cnn1-c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	587652217	YOYMBSKESLGXCB-UHFFFAOYSA-N	414.683	3.874	5	1	HHBF	
COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc(OC)c1OC	72109290	GBMQODUKZBQLKC-PMACEKPBSA-N	413.430	3.684	5	1	HHBF	
O=C(c1cc([N+](=O)[O-])ccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1	73199346	AHRZJSOULVQPFT-UHFFFAOYSA-N	402.454	3.537	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)[C@@H](C2)C3=O	587420964	IOFNQTCWEVLPSY-ZBEGNZNMSA-N	407.325	3.702	5	1	HHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1	587649332	RTRXAZVALIOKFV-DEDYPNTBSA-N	419.441	3.588	5	1	HHBF	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431474	FNZPARPKVTZAII-GAJHUEQPSA-N	402.406	3.877	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1	587266050	IUMGFRGKVKLXOO-ZETCQYMHSA-N	407.184	3.710	5	1	HHBF	
CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587532892	QOLGCTMQHSNWQO-SFHVURJKSA-N	401.440	3.584	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1F	587871537	YVJNAOTWSZCWPE-UHFFFAOYSA-N	403.341	3.854	5	1	HHBF	
CCN(CC)CCCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1	27997894	UEULXLJTFYZETN-UHFFFAOYSA-N	408.527	3.524	5	1	HHBF	
COC1=C[C@@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1	45256533	WYGAYLIPQHONKL-VELBRHGASA-N	410.474	3.526	5	1	HHBF	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149371	RBHZTANLBMBQMW-IYBDPMFKSA-N	409.490	3.770	5	1	HHBF	
CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1F	28388469	YOBUBBCBGBJZJX-UHFFFAOYSA-N	400.322	3.672	5	1	HHBF	
COc1cc2cc(C(=O)N(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5	40380443	YCMLYMHZMXUWRD-UHFFFAOYSA-N	404.422	3.989	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccccc4Cl)nn3)s2)o1	73278919	HAMZVWILWVKYTB-UHFFFAOYSA-N	417.838	3.612	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2	115605502	XIKLEESAKIVDNK-LBPRGKRZSA-N	420.347	3.960	5	1	HHBF	
Nc1ncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	587267611	BOIAUUBFZKNVHL-UHFFFAOYSA-N	402.130	3.897	5	1	HHBF	
Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1C	14944744	SLVTZQNLJHWHMX-VKAVYKQESA-N	403.913	3.544	5	1	HHBF	
COC(=O)[C@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@@H](O)CCCC(C)C	40976798	ONEYDSBBYZVTOT-RBUKOAKNSA-N	410.470	3.925	5	1	HHBF	biogenic
O=C(COc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661016	KTIHEDKNSIFBBV-UHFFFAOYSA-N	419.368	3.830	5	1	HHBF	
O=[N+]([O-])c1cccc(-c2nc3ccccc3c(=Nc3ccc(O)c([N+](=O)[O-])c3)[nH]2)c1	1857636612	ZMTKSODLOVKRRC-UHFFFAOYSA-N	403.354	3.984	5	1	HHBF	
NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	13878902	HSRRYQAMGORNRW-LJQANCHMSA-N	410.474	3.686	5	3	HHBF	
O=[N+]([O-])c1ccc(OCc2ccccc2)c(F)c1Cc1ccc2c(O)nc(O)nc2n1	587367959	DBTDQBADZSAZDC-UHFFFAOYSA-N	422.372	3.653	5	1	HHBF	
NC(=O)c1c(F)ccc(OCCCCCCn2cnc3cc([N+](=O)[O-])ccc32)c1F	1772648559	DEMPPJJJUQTNLJ-UHFFFAOYSA-N	418.400	3.961	5	1	HHBF	
O=c1c2ccccc2c(Cc2ccc3c(c2)OCO3)nn1-c1ccc([N+](=O)[O-])cc1	40564888	MYMSTFSNEBAEFF-UHFFFAOYSA-N	401.378	3.613	5	1	HHBF	
CC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1	586984879	JFQKDOUOXKIEIR-CQSZACIVSA-N	403.236	3.654	5	1	HHBF	
CC(C)OC(=O)C1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC(F)(F)C1	587130503	MFVDEDDMTFTTML-UHFFFAOYSA-N	418.194	3.852	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2	587390565	ROCYEUIYQWDJJC-YOKWNPFVSA-N	405.454	3.956	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21	587391724	XSVSISXZGARHJM-QHCPKHFHSA-N	400.390	3.939	5	1	HHBF	
CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2cccc(-c3ccccc3)c21	962661905	AVMYNRCZZIQZAW-QHCPKHFHSA-N	422.506	3.696	5	1	HHBF	
Nc1cc([N+](=O)[O-])ccc1[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963175651	HDUQJYFPIQJGEF-DOMZBBRYSA-N	415.755	3.538	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)o1	72177396	BRNQAWKQRPRATH-UHFFFAOYSA-N	406.221	3.567	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@H]1c1ccc(F)cc1	587343529	UGEFBVYFOKKXOR-AVRDEDQJSA-N	420.352	3.646	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@H]1O	254133202	VBFDKVIOWWFFOQ-ZRBLBEILSA-N	412.438	3.649	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586927223	UJUUFEZVJLZYQX-UHFFFAOYSA-N	405.741	3.612	5	1	HHBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F	587150048	JVYYJDJPUPGUMP-UHFFFAOYSA-N	411.143	3.860	5	1	HHBF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(O)c1	587240364	INPRIRGPIMTIQD-UHFFFAOYSA-N	403.398	3.728	5	1	HHBF	
COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1	587572839	AAMNBQQIOXRVEI-RXVVDRJESA-N	421.361	3.790	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(O)cc2[nH]1	586949404	VYLZIDQVYUKWNO-UHFFFAOYSA-N	424.438	3.953	5	1	HHBF	
CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@@H]5O	253659840	JWNJXPKXYBPWQH-AWPHAMTMSA-N	407.582	3.713	5	1	HHBF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O	587431417	DYEQUQAKVHQRMG-MBSDFSHPSA-N	402.406	3.877	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1	587748718	VVXWJPHNHCXXND-XYZCENFISA-N	423.238	3.907	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc([N+](=O)[O-])c1O	587862432	AHRGMDNSPUNTNB-UHFFFAOYSA-N	407.304	3.880	5	1	HHBF	
CN1CCN(c2cnc3cccc(NC(=O)Nc4cccc([N+](=O)[O-])c4)c3c2)CC1	71316189	VRSKOMUBHPTWKN-UHFFFAOYSA-N	406.446	3.539	5	1	HHBF	
COC(=O)C1=C(C)N=C(SC)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	96272058	IAWAKCIJMCLLBY-OAHLLOKOSA-N	407.448	3.663	5	1	HHBF	
CSc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1	587267462	ZMLUFCUBGMWAFR-ABKXIKBNSA-N	403.420	3.635	5	1	HHBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	587648670	FBYVZQCSTJQBCX-UHFFFAOYSA-N	407.835	3.694	5	1	HHBF	
CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCCC3	13837585	CNDPWIJZPHZPKX-SFHVURJKSA-N	409.442	3.812	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(F)cc2[nH]1	587262841	IHYCLJYLQSZCBL-SNVBAGLBSA-N	403.366	3.970	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(OC)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587432699	KUZUMFGASSDJHN-OYHNWAKOSA-N	406.394	3.891	5	1	HHBF	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cc1	586931502	VEFTWQQEHVKYQY-UHFFFAOYSA-N	423.454	3.667	5	1	HHBF	
CS(=O)(=O)Nc1ccccc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1	586948148	DEYDXQHMJSWIQX-UHFFFAOYSA-N	403.467	3.622	5	1	HHBF	
CC[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)n1cc(I)c(C)n1	587185710	WPXSQSPQOSYUFE-ZDUSSCGKSA-N	411.203	3.580	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(F)cc(Br)c4[nH]3)nn2)c1	587268802	ASHJBFTVPRORTJ-UHFFFAOYSA-N	403.171	3.620	5	1	HHBF	
Cc1cc(=O)oc2c1ccc1c(OCC(=O)Nc3cccc(C(=O)O)c3)cccc12	84632402	VXXUQGGMYRBOMB-UHFFFAOYSA-N	403.390	3.970	5	1	HHBF	
COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC	586974143	BWBYTBVBZWACPS-INIZCTEOSA-N	421.251	3.607	5	1	HHBF	
COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1	587054921	NDJNDKQCNWCTIX-INIZCTEOSA-N	403.826	3.655	5	1	HHBF	
COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12	14969848	PVFHCQGAYHDIOF-UHFFFAOYSA-N	404.518	3.781	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587747911	STSNTWQWXXSWLB-BCTVWOGZSA-N	409.211	3.638	5	1	HHBF	
CC1(C)C=Cc2c(c([C@H](O)[C@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1	14768891	MDJODYOPXIPBEH-GHTZIAJQSA-N	410.422	3.752	5	1	HHBF	biogenic
COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	587745508	HKZXFQXXPLQQGC-XLFHBGCDSA-N	423.238	3.907	5	1	HHBF	
Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(F)cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1O	1857536073	MSZILWMSIQRIMB-STMQIEDPSA-N	401.438	3.794	5	1	HHBF	
CCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	45339462	GBUPAHJHIJULEM-LJQANCHMSA-N	402.447	3.736	5	1	HHBF	
COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCC[N+](C)(C)C	28477970	HLRNFCSSCGXPKX-HJWRWDBZSA-N	402.511	3.976	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2c(Br)ccc(Br)c2[nH]1	587273566	IOZATGPLHLKROJ-UHFFFAOYSA-N	415.045	3.549	5	1	HHBF	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586934525	AZNMPLXZHWEDDL-CQSZACIVSA-N	420.516	3.552	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12	587002630	XRWGJZGTRNAMQB-UPHRSURJSA-N	403.192	3.570	5	1	HHBF	
O=C(c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1)n1nc2cc1Oc1ccc(F)cc1-2	587875498	PFCIEBKPUCGYBV-UHFFFAOYSA-N	405.345	3.636	5	1	HHBF	
COC(=O)C[C@]1(Cc2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587512903	POXZGSMMGDRIEZ-QHCPKHFHSA-N	409.438	3.983	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2	587031105	LOWRBWGXLWKUGV-DKBJHAQFSA-N	416.488	3.993	5	1	HHBF	
CCOC(=O)[C@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1cc([N+](=O)[O-])ccc12	100665550	WOSXQVHCZORUMF-RAQPGAAPSA-N	406.460	3.960	5	1	HHBF	
COc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OCCc2ccc([N+](=O)[O-])cc2)N3C)cc1	101221880	LEPURUCOXXLEER-ADHNFCLRSA-N	424.497	3.956	5	1	HHBF	
O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCC1	473121713	QXMWOOHDGANNCS-UHFFFAOYSA-N	407.766	3.628	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2	587031103	LOWRBWGXLWKUGV-DAVUEJTQSA-N	416.488	3.993	5	1	HHBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587573346	BGCWZJPMVOPISQ-UTKZUKDTSA-N	409.350	3.718	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587754664	ZXJJVXSDROPZJF-QPFGOUBPSA-N	409.211	3.849	5	1	HHBF	
CNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-]	13726481	GUSIEDDJDIMRDC-UHFFFAOYSA-N	409.468	3.545	5	1	HHBF	
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1)c1cccc2c1OCCO2	169337281	XYPXASTXMCNXRC-KTKRTIGZSA-N	421.409	3.590	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(I)ccc3Cl)nc2c1	587182539	KLOOWDBDMHIYLZ-UHFFFAOYSA-N	400.563	3.791	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)nn2)c1	587269753	OGSFKCNGHYCYCI-UHFFFAOYSA-N	420.614	3.530	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(Cl)c(O)c3)cc1)C2	45283996	NXXFNRCPRYQJFX-HNNXBMFYSA-N	401.806	3.795	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc([N+](=O)[O-])ccc12	587579125	YXBLSZAJRSZMOB-DENIHFKCSA-N	405.362	3.940	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cnc4ccccc4c3[nH]2)cc([N+](=O)[O-])c1Cl	586926388	OHPAKQGUNRVFAE-UHFFFAOYSA-N	402.819	3.743	5	1	HHBF	
COC(=O)c1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2c1	587148480	ATVNBGFVZOCTHV-UHFFFAOYSA-N	424.182	3.738	5	1	HHBF	
O=C(NCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCc1ccccc1	587228734	QMCJPXMDKCGDGQ-UHFFFAOYSA-N	419.235	3.703	5	1	HHBF	
Cc1c(Cl)ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12	587263913	HWERHHQIWXVFMV-JDNHERCYSA-N	405.798	3.875	5	1	HHBF	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748728	YDZGMNFUEDVETK-BCTVWOGZSA-N	411.227	3.834	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@H](O)[C@@H](CCC(C)C)C(=O)OC)cccc3nc12	2356805565	ZWDLNJITQHGPIV-IERDGZPVSA-N	410.470	3.828	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148964	BGFGCDZOJAGIKD-HUUCEWRRSA-N	409.490	3.674	5	1	HHBF	
Cc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Cl	587263621	XDAKPOSNSYGBCD-UHFFFAOYSA-N	413.865	3.916	5	1	HHBF	
C[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	587275845	HBUSWZBTRLJZTP-ZCFIWIBFSA-N	415.045	3.802	5	1	HHBF	
CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2ccc(S(C)(=O)=O)cc12	587648543	AZVVMJKUYQXVIA-UHFFFAOYSA-N	422.846	3.977	5	1	HHBF	
CC[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1	587184248	GVQRCPSVLVOQQV-NSHDSACASA-N	411.203	3.580	5	1	HHBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21	587745246	GZMUIWLSSJEXFQ-ZMZPIMSZSA-N	409.255	3.921	5	1	HHBF	
COc1ccc([C@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1857565700	SVMNZIAURFYTRU-HKUYNNGSSA-N	401.444	3.505	5	1	HHBF	
COc1nn(CCOCCN(C)C/C=C/c2ccccc2)c2ccc([N+](=O)[O-])cc12	49808320	YXVGOELMKPIYPS-RMKNXTFCSA-N	410.474	3.615	5	1	HHBF	
O=[N+]([O-])c1c(Br)ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12	586927165	UXRJNUNPULPGPL-CMDGGOBGSA-N	408.233	3.678	5	1	HHBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	587746143	JHLNMWJTJPIGOQ-MGNBDDOMSA-N	407.239	3.863	5	1	HHBF	
COc1cc2c(c3oc4cc(OC(C)=O)c(OC(C)=O)cc4c(=O)c13)C=CC(C)(C)O2	14780252	JSAPLENOPLKLFH-UHFFFAOYSA-N	424.405	3.990	5	1	HHBF	biogenic,in-vitro
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2c3ccc(F)cc3C[C@H]3CCCN32)CC1	963108337	OULOGHCBSOYXKN-WZONZLPQSA-N	410.493	3.596	5	1	HHBF	
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC3	35079604	CWDRVGKNJWGVJS-GOSISDBHSA-N	408.458	3.845	5	1	HHBF	
CCCNC(=O)c1ccc(N2CCC3(CC2)CC(c2ccccc2)=NO3)c([N+](=O)[O-])c1	15937320	ZZYAJMKBGYYWJH-UHFFFAOYSA-N	422.485	3.898	5	3	HHBF	
CCc1c(Sc2ccccc2)n(C/C=C/c2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O	6424960	MYSQAQXSZUIWTI-RMKNXTFCSA-N	415.496	3.933	5	1	HHBF	
CC(C)(C)SC[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1	169321956	SSGMHQUEHNKZOC-ZDUSSCGKSA-N	402.468	3.916	5	1	HHBF	
COc1cc(O)c2c(=O)c3c(O/C=C\C(C)C)c(OC)c(OC)c(O)c3oc2c1	238746996	NRUJCMSCVVQZOF-SREVYHEPSA-N	402.399	3.932	5	1	HHBF	
COc1cc(OC)c2c(=O)c3c(O)c4c(c(OC)c3oc2c1OC)OC(C)(C)C=C4	15148363	UGQGBKCQHMQDQW-UHFFFAOYSA-N	414.410	3.870	5	1	HHBF	endogenous,in-man
COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	587230558	HWCNFXQQPPWHNT-HUUCEWRRSA-N	403.486	3.696	5	1	HHBF	
Cc1csc(SC[C@@](C)(O)C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1	28106891	QOYHJQHAECSGML-CQSZACIVSA-N	421.422	3.860	5	1	HHBF	
CC(C)N(CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12)C(C)C	169349321	UTMWPORTWADFBY-UHFFFAOYSA-N	416.525	3.850	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587265703	WPOFMEAJJUPJDF-LBPRGKRZSA-N	400.398	3.516	5	1	HHBF	
Cc1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCn2cc(-c3ccccn3)nn2)cc1	1857651301	UYMHAYIJWXNSKG-MDZDMXLPSA-N	401.430	3.624	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)ncnc2[nH]1	587053839	HCFBEPWDIIFBFR-NSHDSACASA-N	409.233	3.695	5	1	HHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-]	587260563	UTSFNWOOMRYHJT-JEZHCXPESA-N	400.660	3.639	5	1	HHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1	587263868	HEMXIRAYZYVJHD-WJWGPLDTSA-N	409.761	3.706	5	1	HHBF	
CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-])CCCC3	169686280	LLPKFYZXCQQVTR-QZTJIDSGSA-N	408.458	3.868	5	1	HHBF	
Cc1cc(Br)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	586919758	GOAVHXLNCBZIDY-UHFFFAOYSA-N	410.249	3.516	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587748899	BKJRGIBFGYUANB-VVVCHXIZSA-N	423.238	3.987	5	1	HHBF	
CN1C(=O)C[C@@H]2CN[C@H](c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)c3cccc1c32	963028283	MATJRQWRUQKQLM-ADLMAVQZSA-N	407.348	3.636	5	1	HHBF	
O=C(CSc1nc(Cc2c(F)cccc2F)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1	40404095	GRWPFOGIWCLWEM-UHFFFAOYSA-N	417.393	3.522	5	1	HHBF	
O=C(CSCc1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccc(C(F)(F)F)cc1	587113344	HWYOYQNVXIXFER-UHFFFAOYSA-N	411.365	3.757	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587750147	GWLMDINCHRAJNQ-RBHXEPJQSA-N	409.211	3.849	5	1	HHBF	
COc1ccccc1NC(=O)c1c(N)cccc1[S@](=O)c1ccc([N+](=O)[O-])cc1	1772570963	RLPYZPHXEXUCSV-GDLZYMKVSA-N	411.439	3.605	5	1	HHBF	
CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	773742	HOUVFIVGJAYSLU-UHFFFAOYSA-N	413.361	3.923	5	1	HHBF	
COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	36473690	FPLKPCDFYRVZMC-QGZVFWFLSA-N	413.294	3.841	5	1	HHBF	
Cc1cccc(NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)c1	103292076	HYUQDGIQFUOWNJ-UHFFFAOYSA-N	407.857	3.756	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc([N+](=O)[O-])cc12	587574650	GEDPSSBJBNDYCD-KNQAVFIVSA-N	405.362	3.940	5	1	HHBF	
O=[N+]([O-])c1ccc(OCc2nc3cccc(I)c3[nH]2)cc1F	587148925	NAARTPAJVNDTTM-UHFFFAOYSA-N	413.146	3.794	5	1	HHBF	
O[C@H]1[C@H](O)CO[C@@H](n2c3ccc(Cl)cc3c3ccc4c5ccccc5[nH]c4c32)[C@@H]1O	85599975	OYTSBTTZMCNVKQ-YJSIEXFISA-N	422.868	3.694	5	1	HHBF	
O=[N+]([O-])c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12	586959218	JRVBNUNMQQCQNY-XMMPIXPASA-N	408.277	3.974	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)cc(Br)c2[nH]1	587264755	JCEBLXWGJAFADV-JTQLQIEISA-N	411.643	3.835	5	1	HHBF	
CCOC(=O)Cn1c(=O)c2cc(C)cc3c(Cl)nc4c(OC)c(OC)cc1c4c32	1656640	YINBCGHUQUNTGC-UHFFFAOYSA-N	414.845	3.683	5	1	HHBF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1	586937914	HHLSYSPEAZPTDD-ZDUSSCGKSA-N	405.483	3.642	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c(OC)c1OC(F)F)[C@@H](C2)C3=O	587420963	IOFNQTCWEVLPSY-MEDUHNTESA-N	407.325	3.702	5	1	HHBF	
CC1(C)CC(=O)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)CC(C)(C)CC2=O)C(=O)C1	4720869	XOCREJQTYCVXOJ-UHFFFAOYSA-N	413.470	3.827	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)O2	587388396	AUFIZZWBZSBHHM-LJQANCHMSA-N	408.414	3.733	5	1	HHBF	
O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	962973275	JTGUJGHBBGEKPT-PXAZEXFGSA-N	407.760	3.696	5	1	HHBF	
COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587749183	XTTLQYDURBJEND-XLFHBGCDSA-N	423.238	3.907	5	1	HHBF	
COc1cc2sc3cc(NCCCN4CCOCC4)ccc3c(=O)c2cc1OC	102815439	VWZNKSAWFPKJGQ-UHFFFAOYSA-N	414.527	3.566	5	3	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc([N+](=O)[O-])cn1	587866206	XOCDGKLVYMBAOC-UHFFFAOYSA-N	423.351	3.803	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)OC)cc2[nH]1	587263735	NYVWYYJEPKZKQM-NSHDSACASA-N	413.386	3.609	5	1	HHBF	
CCN(c1ccc(-c2csc(-c3ccc(N)c([N+](=O)[O-])c3)n2)cc1)S(C)(=O)=O	587923506	UFXDRVOFFFBYDM-UHFFFAOYSA-N	418.500	3.753	5	1	HHBF	
Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc12	587037780	NFAWTPXINUTMIM-MRVPVSSYSA-N	418.866	3.872	5	1	HHBF	
NC(=O)c1cc(N2CCC(c3nc4ccc5ncccc5c4[nH]3)CC2)ccc1[N+](=O)[O-]	587262593	DENRCZCJSTYKKC-UHFFFAOYSA-N	416.441	3.502	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])ccc(O)c21	587391837	ZKCZFNXQFIJNFS-QHCPKHFHSA-N	416.389	3.644	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587743968	CCPXKASDFHPURW-MLCYQJTMSA-N	423.238	3.553	5	1	HHBF	
CN1C(=O)C[C@H]2CN[C@H](c3cc(Br)c(F)cc3[N+](=O)[O-])c3cccc1c32	963032743	VEOVFVFVMHLBSU-YYSFKGJASA-N	420.238	3.639	5	1	HHBF	
CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cccc2[nH]1	587180001	BSSFEPUCVSTEKD-QMMMGPOBSA-N	411.203	3.910	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	587577992	VINLHTGEAIMOAI-UZLBHIALSA-N	424.321	3.617	5	1	HHBF	
Cc1c(F)ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl	653861610	BHAFKZYJOYGKLL-UHFFFAOYSA-N	406.845	3.700	5	1	HHBF	
CC(C)=CCc1c2c(c3oc4c(O)ccc(O)c4c(=O)c3c1O)C[C@H](C(C)(C)O)O2	14610228	MAMGYTJNIKXGLJ-OAHLLOKOSA-N	412.438	3.646	5	1	HHBF	biogenic
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1I	299859807	IKDAEBPDMYWFDJ-UHFFFAOYSA-N	421.194	3.770	5	1	HHBF	
O=[N+]([O-])c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1[N+](=O)[O-]	586995376	FYSZPKZUXYQPCW-UHFFFAOYSA-N	406.196	3.796	5	1	HHBF	
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(F)cc(C2C3CC4CC(C3)CC2C4)c1O	29479498	MSZILWMSIQRIMB-CDHIVISHSA-N	401.438	3.794	5	1	HHBF	
COc1cc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1[N+](=O)[O-]	587262886	GYTUXUUEIRBYGF-UHFFFAOYSA-N	422.191	3.519	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C	587863412	ZVCJSAWKTOEPDZ-UHFFFAOYSA-N	423.351	3.721	5	1	HHBF	
COc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1OC	587269235	JAQKWOLRWQHZTF-UHFFFAOYSA-N	410.430	3.508	5	1	HHBF	
COc1ccccc1CNc1nc2ccc([N+](=O)[O-])cc2nc1NCCCN(C)C	1857584162	AMMCXIKPJMXJSS-UHFFFAOYSA-N	410.478	3.522	5	1	HHBF	
Cc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc([N+](=O)[O-])c2)sc1C	82163704	GTRVNCKEUAAJMU-UHFFFAOYSA-N	411.487	3.753	5	1	HHBF	
COc1cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c(O)c([C@H](O)c2ncc([N+](=O)[O-])n2C)c1	1857536180	XWBGHGYYCLBLJR-RYIGPXSYSA-N	413.474	3.664	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCC(C)C)cccc3nc12	40954329	LKJADGCHDSZYKE-MOPGFXCFSA-N	410.470	3.623	5	1	HHBF	biogenic
CCN(CC)CCCNC(=O)c1nncc2oc3c(C)c4oc(=O)cc(C)c4cc3c12	58660768	PBQFPTAXNPWHAF-UHFFFAOYSA-N	422.485	3.561	5	1	HHBF	
Cc1ccc(Cn2c(=N)n(C[C@H](O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	473087922	MIYVURXVYAQAOK-QFIPXVFZSA-N	402.454	3.921	5	1	HHBF	
O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](OCc2ccccc2)CC1	35272693	VYAHKSRYQIJYLI-LJQANCHMSA-N	400.866	3.635	5	1	HHBF	
COc1ccc(CN2C[C@@H]3CCC[N+]4([O-])CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1	72113480	RKZMAOCKVVYHIY-RHUQAWMLSA-N	402.535	3.638	5	1	HHBF	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1SC	137210243	WDNUOVJKQOKDLD-UHFFFAOYSA-N	420.487	3.678	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1	587342302	MSJAPWVKYZLDHR-IRLDBZIGSA-N	409.369	3.686	5	1	HHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723551	WHUYBWWQPAXKBJ-PKOBYXMFSA-N	412.398	3.553	5	1	HHBF	
CC1=NC(=O)N(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)C	169730053	IWJIBGYBGASQKY-JKSUJKDBSA-N	405.407	3.645	5	1	HHBF	
O=C(O)c1cccnc1SCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586967415	WNQDHQHDLZYTBP-UHFFFAOYSA-N	409.221	3.619	5	1	HHBF	
O=C(c1cc([N+](=O)[O-])nn1Cc1ccccc1)n1nc2cc1Oc1ccc(F)cc1-2	587874652	HIESIOFAMCYNLD-UHFFFAOYSA-N	405.345	3.636	5	1	HHBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C(=O)[C@@H](O)C(C)(C)O2	26826106	QXDHGZCXAXLEMG-HSZRJFAPSA-N	403.434	3.568	5	1	HHBF	
CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N(C)C	771943	BZIIUHIROJSEOV-HKUYNNGSSA-N	417.849	3.827	5	1	HHBF	
CN1CCN(c2ccc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3c2)CC1	587269711	MQNQMQRMSXEVKS-UHFFFAOYSA-N	414.469	3.952	5	1	HHBF	
CCN(CC)c1ccc2cc(C3=NN[C@H](c4ccc([N+](=O)[O-])cc4)C3)c(=O)oc2c1	1857759580	KZTIMZLDXFLCEX-IBGZPJMESA-N	406.442	3.986	5	1	HHBF	
CCCC[C@H](/C=C1/C[C@@](CO)(COC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O)CC	40915305	VVJHXKZXFGSSSC-CTXCMQQJSA-N	405.447	3.572	5	1	HHBF	
O=[N+]([O-])c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1[N+](=O)[O-]	587077293	UXNRPFNFBILUIO-UHFFFAOYSA-N	414.765	3.868	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1	587270625	XDBPLGUCEIKTLG-UHFFFAOYSA-N	419.363	3.905	5	1	HHBF	
CCOC(=O)[C@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1c2cccc1[N+](=O)[O-]	100665511	FUOPUIXPFABMRT-LMNKAFMYSA-N	406.460	3.960	5	1	HHBF	
COCCNC(=O)c1ccc(NCc2ccccn2)c2c(O)c3cccc(C)c3nc12	299868378	RGVHYXXHQHEUHW-UHFFFAOYSA-N	416.481	3.785	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587422614	PHMIPRFPHICHNM-YUNKPMOVSA-N	421.352	3.745	5	1	HHBF	
O=C(O)c1cc([N+](=O)[O-])ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587573958	DRKYMVZBEBVKKB-XLIONFOSSA-N	407.334	3.702	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	587574290	DZPYLQCGUJVGGZ-FXAWDEMLSA-N	408.322	3.912	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587753334	VBLGKZIBPBOTFK-NIVTXAMTSA-N	423.238	3.891	5	1	HHBF	
CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C	4294954	ZDELKZWYCZVJOB-RBUKOAKNSA-N	407.467	3.714	5	1	HHBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1	587275128	VXNZNVZQOYGDPJ-UHFFFAOYSA-N	406.118	3.533	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1	587862935	MBBABTXQSDVGIL-UHFFFAOYSA-N	423.351	3.721	5	1	HHBF	
Cc1ccccc1-c1cc(C(=O)O)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	36387277	RZMABDKTFBDVMD-MRXNPFEDSA-N	406.398	3.658	5	3	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl	586925344	GZDJJEYIGZSPQS-UHFFFAOYSA-N	421.649	3.897	5	1	HHBF	
CCCCC[C@@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356797432	NXJCUNHZZLXCNH-IIBYNOLFSA-N	410.470	3.973	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)cc1)C2	66251785	XNCQSDZPSYNLJS-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134586	SDRGMDUIYFVEIA-KXBFYZLASA-N	409.490	3.961	5	1	HHBF	
COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1	587745948	IOQRMZGJLVLGTE-XLFHBGCDSA-N	423.238	3.907	5	1	HHBF	
COc1ccc([C@@H]2[C@@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1857565701	SVMNZIAURFYTRU-IEBWSBKVSA-N	401.444	3.505	5	1	HHBF	
COc1cc([N+](=O)[O-])c([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1Cl	962765141	MDYYLVPTHBPAGZ-BBRMVZONSA-N	414.767	3.992	5	1	HHBF	
O=C(O)CCCC(=O)Nc1ccc(C[P@](=O)(O)Nc2ccc([N+](=O)[O-])cc2)cc1	87528571	UXPGGDODXIFVDJ-UHFFFAOYSA-N	421.346	3.586	5	1	HHBF	in-vitro
O=[N+]([O-])c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1[N+](=O)[O-]	587004518	VSPKSMXWGHGLHK-UHFFFAOYSA-N	403.152	3.685	5	1	HHBF	
Cc1c(Cl)ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12	587263231	OXKCNKOKJAZVKK-UHFFFAOYSA-N	413.865	3.916	5	1	HHBF	
CCCCC[C@H](C(=O)OC)[C@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356797430	NXJCUNHZZLXCNH-HRAATJIYSA-N	410.470	3.973	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149354	LEJQJTPYRTZNMQ-HUUCEWRRSA-N	409.490	3.992	5	1	HHBF	
COc1cc([C@H]2Oc3ccc4c(=O)c5ccccc5oc4c3O[C@H]2CO)ccc1O	98084690	NPNAAJZAXIAJHN-PZJWPPBQSA-N	406.390	3.534	5	1	HHBF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	586983824	CTFFXEIKTPZXBR-INIZCTEOSA-N	417.263	3.962	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC2=O	587473582	YBZBIJABAODHEL-IBGZPJMESA-N	415.398	3.511	5	1	HHBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C)c1	36190318	FUECOLSPNDMJOV-UHFFFAOYSA-N	420.491	3.825	5	1	HHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	80479395	BEJFKXPICQIWOE-TZIWHRDSSA-N	422.437	3.960	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587423287	TZTGSDOCUULSCX-VOJFVSQTSA-N	407.325	3.702	5	1	HHBF	
COc1cc([N+](=O)[O-])ccc1C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587576414	OKCRFSOHAKPDSG-WOJBJXKFSA-N	407.378	3.882	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587263245	KWDLPQXSUHMPIK-SNVBAGLBSA-N	400.347	3.731	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587264143	CCYBLCSKQPBYOX-ZETCQYMHSA-N	407.289	3.874	5	1	HHBF	
CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1	587267846	SIYUUGNQXHAECR-SECBINFHSA-N	422.239	3.525	5	1	HHBF	
CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	40828566	USKYFSGILQIYQA-MRXNPFEDSA-N	404.785	3.654	5	1	HHBF	
Cc1cc(OCC(=O)c2c(CO)oc3cc(Br)cnc23)ccc1[N+](=O)[O-]	587274146	TZKDSPUNBCEZMJ-UHFFFAOYSA-N	421.203	3.561	5	1	HHBF	
COc1ccccc1N1CCN(CC[C@@H]2CCc3ccc([N+](=O)[O-])cc3C2=O)CC1	103233596	UPGNMHWUCFSKGJ-SFHVURJKSA-N	409.486	3.561	5	1	HHBF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3nc4ccccc4nc3cc2[nH]1	587230557	HWCNFXQQPPWHNT-GJZGRUSLSA-N	403.486	3.696	5	1	HHBF	
O=C(O)c1ccc([N+](=O)[O-])c(-c2nc3ccccc3n(Cc3ccccc3)c2=O)c1	1772635798	WHACVYAMQAWGOS-UHFFFAOYSA-N	401.378	3.718	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148997	QXJUUAPESWIGMC-HZPDHXFCSA-N	409.490	3.770	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587422611	PHMIPRFPHICHNM-FKIZINRSSA-N	421.352	3.745	5	1	HHBF	
CC1(C)C=Cc2c(c(C[C@@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1	87529364	IMTVDLTVVRHMPA-QRQCRPRQSA-N	424.449	3.622	5	1	HHBF	in-vitro
CCCCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	169722818	VXCGEYIUZXUVAV-MJGOQNOKSA-N	402.447	3.950	5	1	HHBF	
O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1)c1cccc(O)c1	587019860	QXHKLNDWFAIJTH-UHFFFAOYSA-N	413.390	3.615	5	1	HHBF	
NC(=O)c1cc(N2CCC(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263327	RLWBELUNHFNNDY-UHFFFAOYSA-N	417.828	3.747	5	1	HHBF	
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1	82082838	UIRCWNWOPZDSNW-ZDUSSCGKSA-N	416.503	3.533	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135563	GPPPLTKPYMQGEK-HUUCEWRRSA-N	409.490	3.992	5	1	HHBF	
COc1ccc(NC(=S)Nn2c(-c3ccc([N+](=O)[O-])cc3)cnc2S)cc1	103196548	AJACZCOXBKQJDY-UHFFFAOYSA-N	401.473	3.696	5	1	HHBF	
Cc1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1	587091081	AGGNHZFIEUOQPG-UHFFFAOYSA-N	404.146	3.968	5	1	HHBF	
COc1cc([C@H]2Oc3ccc4c(=O)c5ccccc5oc4c3O[C@@H]2CO)ccc1O	34167699	NPNAAJZAXIAJHN-TZIWHRDSSA-N	406.390	3.534	5	1	HHBF	
CC(C)COc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br	587267968	KORLQTFYTSNRHV-UHFFFAOYSA-N	406.240	3.913	5	1	HHBF	
CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1	28526765	CJABSKLEBRIZKZ-MRXNPFEDSA-N	402.863	3.680	5	1	HHBF	
COc1cc2ccc3c4c(OC)cc(OC)c(OC)c4c(O)[n+](C)c3c2cc1OC	1629551	MPXWNNCONPUOGM-UHFFFAOYSA-O	410.446	3.719	5	1	HHBF	
CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C	4294953	ZDELKZWYCZVJOB-MOPGFXCFSA-N	407.467	3.714	5	1	HHBF	
COc1cc2c(C(=O)N(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	40953918	FPHZFKDORFNABO-UHFFFAOYSA-N	404.422	3.989	5	1	HHBF	
Cc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587660551	GWANIIVEUSPTNV-CYBMUJFWSA-N	421.388	3.517	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1	587863282	XFOPQGGYWWAVQH-LLVKDONJSA-N	423.351	3.659	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC2=O	587473583	YBZBIJABAODHEL-LJQANCHMSA-N	415.398	3.511	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc([N+](=O)[O-])c1Cl	586927890	XGEOFXJPTMZBLC-UHFFFAOYSA-N	421.649	3.897	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135673	SVLZKEJGBSQWAC-HZPDHXFCSA-N	409.490	3.770	5	1	HHBF	
O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(S)s3)[nH]c12	587025299	KUJKHOOAPGSWQL-UHFFFAOYSA-N	404.296	3.666	5	1	HHBF	
O=c1c2ccc(O)cc2oc2cc(OCCCCCCCO[N+](=O)[O-])cc(O)c12	1857746641	RVCIOXRBWWIWCI-UHFFFAOYSA-N	403.387	3.895	5	1	HHBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC	776286	BOQODFHRLOAHPE-UHFFFAOYSA-N	405.451	3.950	5	1	HHBF	
CCS(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1	587110155	UOXXMCFJZCRSEI-UHFFFAOYSA-N	413.377	3.874	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587752626	SLJGVNDDAMTPPS-VVVCHXIZSA-N	423.238	3.987	5	1	HHBF	
CCCC[C@@H](/C=C1/C[C@](CO)(COC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O)CC	40915311	VVJHXKZXFGSSSC-FOIWNUPJSA-N	405.447	3.572	5	1	HHBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(F)cc1	299849705	RBTFRNKAFXLRHY-CUDBPUKSSA-N	403.413	3.747	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1	586983676	AYEKGOFSFRPVMG-OAHLLOKOSA-N	402.252	3.814	5	1	HHBF	
Cc1cc(Cl)cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12	587263647	YGPODLFXNPQBKE-UHFFFAOYSA-N	413.865	3.916	5	1	HHBF	
Cc1nn(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-]	587748492	VBFOXETYHZWLDT-VVVCHXIZSA-N	411.275	3.759	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C	587871979	RNXOYSRGPJDRKL-ZDUSSCGKSA-N	401.398	3.711	5	1	HHBF	
CNC(=O)c1cc(Oc2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])cc4)=NN3)cc2)ccn1	1857766922	RIDYWAYUVJCNDC-FQEVSTJZSA-N	417.425	3.580	5	1	HHBF	
COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1	587232127	UJHABBPGOVRLEP-GJZGRUSLSA-N	403.486	3.696	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21	587391738	YAZYFPXEZAYWIH-QHCPKHFHSA-N	400.390	3.939	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)o1)[C@@H](C2)C3=O	587421515	MVMOQRXZEXGYAS-SGTLLEGYSA-N	415.789	3.583	5	1	HHBF	
COC(=O)[C@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	169730095	ODEUVICSUAVJHG-HOCLYGCPSA-N	405.407	3.503	5	1	HHBF	
CN(C)c1ccc(C(C)(C)NC(=O)c2cc3[nH]c4ccccc4c(=O)c3cc2F)cn1	14970350	SQRHVAMQEULLBK-UHFFFAOYSA-N	418.472	3.947	5	1	HHBF	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134583	SDRGMDUIYFVEIA-BEFAXECRSA-N	409.490	3.961	5	1	HHBF	
O=C(NCc1ccccc1)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82150007	FPIVOKAWQWYGID-UHFFFAOYSA-N	403.442	3.582	5	1	HHBF	
CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	586923020	WBSIJMNTSOUYQP-UHFFFAOYSA-N	424.276	3.618	5	1	HHBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1	587265560	FYJLMZGMXIRLBA-QFYYESIMSA-N	414.422	3.606	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	587342223	MEMQFHPLGDUDDM-UGKGYDQZSA-N	420.352	3.646	5	1	HHBF	
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3CCN(C)C	40875233	BCYUHCKBDZWBHD-UHFFFAOYSA-N	410.470	3.549	5	1	HHBF	
C[C@](O)(c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(F)(F)F	64548715	OYMRQWMCPFIIRM-AWEZNQCLSA-N	409.769	3.851	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586924508	AWTRDYDFXMNJGM-UHFFFAOYSA-N	404.206	3.988	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)O2	587391256	UABACJRWNDUGBF-FQEVSTJZSA-N	405.410	3.761	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587752630	SLJGVNDDAMTPPS-XYZCENFISA-N	423.238	3.987	5	1	HHBF	
O=C(c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1	82135493	IKJCWUSZUDHJLZ-UHFFFAOYSA-N	403.442	3.900	5	1	HHBF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2cccc([N+](=O)[O-])c2)(c2ccccc2F)N1	962892913	FIVIYCCTUGLFRG-UGKGYDQZSA-N	410.376	3.764	5	1	HHBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCN(C(C)C)C(C)C)cn3c(=O)c2c1	29401375	FMLXULHHNIGTJM-UHFFFAOYSA-N	408.546	3.820	5	1	HHBF	
CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1	100706006	WIJFZKCSWGYRDC-UHFFFAOYSA-N	424.438	3.794	5	1	HHBF	
CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-])CCCC3	169686281	LLPKFYZXCQQVTR-ZWKOTPCHSA-N	408.458	3.868	5	1	HHBF	
COc1cc2c(cc1OC)C[N@+](C)(CCCCCCc1cccc(OC)[n+]1C)CC2	299844508	BLEMVENWQNSXTK-HHHXNRCGSA-N	414.590	3.843	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc([N+](=O)[O-])c1Cl	586926427	PERTUPHVAHXPKI-UHFFFAOYSA-N	420.756	3.609	5	1	HHBF	
CC(=O)SCc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O	587943712	OOJUELQLTFWYBY-UHFFFAOYSA-N	419.228	3.786	5	1	HHBF	
Cc1c(Br)ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	586920517	SRBYEMWBYHOISX-UHFFFAOYSA-N	410.249	3.516	5	1	HHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1	586920799	YPKLRYLXYPFHHL-UHFFFAOYSA-N	403.313	3.603	5	1	HHBF	
CC(=O)OCc1cc(OC(C)=O)c2cc3c(OC(C)=O)cccc3c(OC(C)=O)c2c1	1636651	LPFAXMMDGZKAHD-UHFFFAOYSA-N	424.405	3.832	5	1	HHBF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1	586936588	IXVCRQRSWNCYOV-OAHLLOKOSA-N	408.867	3.800	5	1	HHBF	
O=C1C[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F	587147863	CGUSMHGCVOISKZ-JTQLQIEISA-N	406.776	3.919	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587274688	RYJNAZWGKHOQND-UHFFFAOYSA-N	404.146	3.806	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(C(F)(F)F)cc3)c1)C2	72125226	HLSSQUGCQRFFGM-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
Nc1ccc(-c2ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3c2)cc1N	587270454	YKZGXDGEHFJDDK-UHFFFAOYSA-N	403.398	3.694	5	1	HHBF	
COc1cc2ccc(=O)oc2cc1OC(=O)c1c(C)noc1-c1ccc([N+](=O)[O-])cc1	1772645528	MRHOTBHZEZEGID-UHFFFAOYSA-N	422.349	3.892	5	1	HHBF	
O=[N+]([O-])c1ccc(OCC(COc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1	2178320093	GPQLKBISORJULG-UHFFFAOYSA-N	401.419	3.815	5	1	HHBF	
CCCCC[C@@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356797431	NXJCUNHZZLXCNH-IERDGZPVSA-N	410.470	3.973	5	1	HHBF	
CC(C)=CCc1c(O)c(C(=O)CC(C)(C)O)c2oc3cccc(O)c3c(=O)c2c1O	238785114	DEKFVIIXNSUUIC-UHFFFAOYSA-N	412.438	3.915	5	1	HHBF	
CCOC(=O)[C@@H](CC)n1c(=O)c2cc(OC)c(OC)cc2c2c[nH]c3nccc-3c21	1857655575	GKSIIYKLDPQIAR-MRXNPFEDSA-N	409.442	3.514	5	1	HHBF	
CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2n1	586927755	WAYDHZDJDCUZGT-UHFFFAOYSA-N	408.867	3.888	5	1	HHBF	
CCOC(=O)CN(Cc1ccccc1)c1nc(Nc2ccccc2)ncc1[N+](=O)[O-]	653893447	NJFUELWERWYCJY-UHFFFAOYSA-N	407.430	3.698	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c(-c2nc3ccccc3n(Cc3ccccc3)c2=O)c1	1772573789	LGJHIKHWNHXUQH-UHFFFAOYSA-N	415.405	3.807	5	1	HHBF	
CS(=O)(=O)c1ccc([C@H](CC2CCCC2)C(=O)Nc2nccs2)cc1[N+](=O)[O-]	38853478	JGIVQCXQTGYATL-AWEZNQCLSA-N	423.516	3.757	5	1	HHBF	
COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O	587576871	PXOMDFDROUYFLX-OXQOHEQNSA-N	409.350	3.718	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCC(C)C)cccc3nc12	40954325	LKJADGCHDSZYKE-RTBURBONSA-N	410.470	3.623	5	1	HHBF	biogenic
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc2c1OCOC2	587575307	IYUZAEJYEIZIOB-AVRDEDQJSA-N	421.361	3.870	5	1	HHBF	
Cc1nn(C(=O)Cc2ccccc2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2	17221734	UIWGFTMBLUGWKZ-GOSISDBHSA-N	407.455	3.765	5	1	HHBF	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1	587231487	RSGPPNGCPVJGPE-UHFFFAOYSA-N	418.413	3.755	5	1	HHBF	
Cn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)C(C)(C)C)cc4c(=O)c3c2)cn1	72108125	SEKSKAHLHZNVJO-UHFFFAOYSA-N	422.510	3.689	5	1	HHBF	
O=[N+]([O-])c1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1[N+](=O)[O-]	587029474	PLFUVFGCXMSQEY-UHFFFAOYSA-N	421.398	3.901	5	1	HHBF	
O=C(c1cc([N+](=O)[O-])ccc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660137	CJRALZWJKLPDOF-UHFFFAOYSA-N	405.341	3.505	5	1	HHBF	
Cc1c(O)ccc2c1[C@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)N[C@H](C(=O)O)C2	963506817	GDARUZVEPVCGTQ-RDPSFJRHSA-N	418.449	3.694	5	1	HHBF	
COc1cc([C@@H]2C3=C(COC3=O)Nc3ccc4nc(C)sc4c32)ccc1[N+](=O)[O-]	71316621	FAGRREKQTAMEDT-INIZCTEOSA-N	409.423	3.890	5	1	HHBF	
NS(=O)(=O)c1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12	587272204	PTXWOPUXSQZMQK-UHFFFAOYSA-N	410.411	3.578	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587750349	HTNBVVNQQGLSAV-YYSFKGJASA-N	423.238	3.891	5	1	HHBF	
COCCOc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-]	587266417	WYPPWIXRRHEYSY-UHFFFAOYSA-N	408.208	3.631	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1	587745505	HKZXFQXXPLQQGC-VVVCHXIZSA-N	423.238	3.907	5	1	HHBF	
Cc1onc(-c2nc3c(Cl)ncc(C)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079895	OSXBDWFNNMFLPB-UHFFFAOYSA-N	408.205	3.690	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587263243	KWDLPQXSUHMPIK-JTQLQIEISA-N	400.347	3.731	5	1	HHBF	
COc1cc2c(cc1[N+](=O)[O-])C[C@H](C(=O)c1ccc(OC)c(OC)c1OC)CC2	1857761157	YOEQWINNEWKNSJ-CYBMUJFWSA-N	401.415	3.617	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587273594	IYPWJWHVGOBMBC-UHFFFAOYSA-N	404.146	3.806	5	1	HHBF	
O=C(NCc1ccccc1)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82135761	ZSKRFWWJQWRFQN-UHFFFAOYSA-N	417.469	3.972	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587748924	BQVRYPWORZTYHW-BCTVWOGZSA-N	405.227	3.996	5	1	HHBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(C)cc1	36190277	OCHYFFNCZZBMRX-UHFFFAOYSA-N	421.475	3.874	5	1	HHBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	169722819	VXCGEYIUZXUVAV-HKUYNNGSSA-N	402.447	3.950	5	1	HHBF	
CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]23	1772651247	VSKUJCMZTZIOSE-OOSNJVJTSA-N	421.563	3.649	5	1	HHBF	
O=[N+]([O-])c1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)N=C3N=CNN32)c1	2914527	ICCOBLFCYKSGTC-HOTGVXAUSA-N	400.236	3.748	5	1	HHBF	
COP(=O)(OC)[C@@H](OC(=O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1	103220856	QCAAWFUEOFZUKO-QGZVFWFLSA-N	413.294	3.841	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587742799	AZQXUYZKMKNZPB-BCTVWOGZSA-N	409.211	3.638	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(Oc4nn(C)cc4[N+](=O)[O-])cc1)[C@@H](C2)C3=O	587431350	DJFBHMOGFYJYDG-MGPUTAFESA-N	407.382	3.618	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751440	MJSSTVRCTDTLIJ-LZVRBXCZSA-N	405.223	3.861	5	1	HHBF	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149373	RBHZTANLBMBQMW-HOTGVXAUSA-N	409.490	3.770	5	1	HHBF	
O=[N+]([O-])c1cccc(NC(=S)N2CCCN(Cc3ccc(F)cc3F)CC2)c1	45190331	HCZOVHTZJCSKKT-UHFFFAOYSA-N	406.458	3.778	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc([N+](=O)[O-])c2[nH]1	587261902	DVZSMTHSLICULV-JTQLQIEISA-N	400.347	3.731	5	1	HHBF	
O=C1Nc2c(cc(F)c(F)c2[N+](=O)[O-])[C@@]12NCCc1c(Cl)cc(Cl)cc12	963101342	AQAPBHCBMGRKCY-MRXNPFEDSA-N	400.168	3.521	5	1	HHBF	
CN(C)/C=C(/c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)n1cc([N+](=O)[O-])cn1	587105281	WMWOFFVZTRSYAG-BKUYFWCQSA-N	411.421	3.959	5	1	HHBF	
C[C@@H]1CCCN([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)C1	36067083	XSRGLQSRXPRKSS-VLIAUNLRSA-N	403.479	3.545	5	3	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@H]1O	254086016	COFDSERLUVMGOX-WWNPGLIZSA-N	412.438	3.649	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)cc(OC)c2[nH]1	587263340	LOKWAEJFMZYOKC-LLVKDONJSA-N	415.402	3.840	5	1	HHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3	587267395	YGYVRQVVNRFJGJ-ADLMAVQZSA-N	411.418	3.792	5	1	HHBF	
O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)C2)ccc1CO	1857770515	BFPNKWNLPSACDB-INIZCTEOSA-N	411.380	3.672	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586924648	DSMICMVJQAOFAL-UHFFFAOYSA-N	404.206	3.988	5	1	HHBF	
NC(=O)c1c(F)ccc(OCCCCCn2cnc3cc([N+](=O)[O-])ccc32)c1F	1772628990	UOXQBJBOJIDBQU-UHFFFAOYSA-N	404.373	3.571	5	1	HHBF	
O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587645699	IGYXSXFMWDVTMZ-UHFFFAOYSA-N	422.178	3.975	5	1	HHBF	
O=[N+]([O-])c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F	587001754	GRGCMNVDVWKFMI-UHFFFAOYSA-N	404.199	3.965	5	1	HHBF	
Cc1cccc(C)c1Cn1c(C)c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc1=O	61895517	SJAHBUJODLZSSS-UHFFFAOYSA-N	411.483	3.722	5	3	HHBF	
COc1cc(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC	40863076	CRCDSSNETKMUKH-UHFFFAOYSA-N	400.412	3.975	5	1	HHBF	
CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	49114091	OXBFBPQXYBLXFZ-UHFFFAOYSA-N	413.481	3.763	5	1	HHBF	
CC(C)Oc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1	587266745	NYJQICXCRPTSRI-ZMZPIMSZSA-N	415.406	3.701	5	1	HHBF	
COC(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587744739	FJRQSVYTDODPDA-JDNHERCYSA-N	423.238	3.907	5	1	HHBF	
CCOC(=O)C1=C(C)NC(SCC)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	148376033	GODISNLWEDTPGJ-INIZCTEOSA-N	420.487	3.647	5	1	HHBF	
COc1cc([N+](=O)[O-])cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O	587577470	SFUGHHKIPBOKFP-UTKZUKDTSA-N	409.350	3.718	5	1	HHBF	
O=[N+]([O-])c1ccc(SC(=S)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	95580600	JTPMAMSWVIIMJN-UHFFFAOYSA-N	404.473	3.702	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	587575608	JRMMJRJYDZWCBP-FXAWDEMLSA-N	408.322	3.912	5	1	HHBF	
CCN(CC)CCn1c2cc(Cl)c(N)cc2c(=O)c2c(OC)cc(OC)cc21	26263438	WKIDSVKFUWMHPV-UHFFFAOYSA-N	403.910	3.749	5	1	HHBF	
O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccc([N+](=O)[O-])cc1	96922655	FZTZLRGWBRXYIJ-UHFFFAOYSA-N	407.411	3.975	5	1	HHBF	
O=C(COc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1)Nc1ccccc1F	587153739	BMAGBLGKFKILSM-UHFFFAOYSA-N	407.361	3.690	5	1	HHBF	
COc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)C)cc1OC	36184616	YEHNIBYWEVRCKV-KRWDZBQOSA-N	402.511	3.646	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@@H]1O	169292365	COFDSERLUVMGOX-PMVMPFDFSA-N	412.438	3.649	5	1	HHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)c(F)c(F)c2[nH]1	587270471	ZEWBDPCEKTYJES-UHFFFAOYSA-N	412.146	3.903	5	1	HHBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c12	587644336	VNHOUSNZXCSPAU-UHFFFAOYSA-N	401.264	3.915	5	1	HHBF	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@@H](C[N+](=O)[O-])c1ccccc1	1857767818	ADMRXWRESJLJDV-JYJNAYRXSA-N	423.560	3.716	5	1	HHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)nc2[nH]1	587265561	FYJLMZGMXIRLBA-QLJPJBMISA-N	414.422	3.606	5	1	HHBF	
O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2cccc([N+](=O)[O-])c2)n1	169328425	NIRBWQFGZKDWFO-UHFFFAOYSA-N	407.386	3.564	5	1	HHBF	
Cc1csc([C@@](O)(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(F)(F)F)n1	587095220	ZEERIZZGBYBTJC-ZDUSSCGKSA-N	406.773	3.882	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](Cc1ccc(F)cc1)CCO2	1857590091	QBKCJNOMOVTFGV-MRXNPFEDSA-N	402.422	3.971	5	1	HHBF	
CC[C@H](OC)[C@@H]1CCC[C@@H]2[C@@H]3C(=CCC[N@@+]12[O-])OC(=C1OC(=O)C(C)=C1OC)[C@H]3C	2356311694	AZADMFYAIAVDAJ-CIGARERRSA-N	419.518	3.906	5	1	HHBF	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccc(OC)c(OC)c3)c[n+]12	299844635	MGFLMPJYPYXHMX-UHFFFAOYSA-O	402.430	3.654	5	1	HHBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@]1(C(=O)O)CCCN1C3	95601393	RNWFGBUAEDLZBA-DEOSSOPVSA-N	407.466	3.994	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12	587002627	XRWGJZGTRNAMQB-OWOJBTEDSA-N	403.192	3.570	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587754663	ZXJJVXSDROPZJF-CQLKUDPESA-N	409.211	3.849	5	1	HHBF	
CC[C@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)n1cc(I)c(C)n1	587184247	GVQRCPSVLVOQQV-LLVKDONJSA-N	411.203	3.580	5	1	HHBF	
COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Cl	587264578	NUXDBXDEEDHPSR-ZKANADHPSA-N	421.797	3.575	5	1	HHBF	
COc1c(O)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587574961	HKPQGFQIQJTTDX-JXFKEZNVSA-N	409.350	3.718	5	1	HHBF	
CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12	587648505	GAXKAQQHIJTSSR-GFCCVEGCSA-N	403.435	3.977	5	1	HHBF	
N=c1n(CC(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2n1CC(=O)c1ccccc1	473081292	BWDKBSKHARZQMM-UHFFFAOYSA-N	414.421	3.596	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1	587264992	BIFZNBYVCRIPCR-ZETCQYMHSA-N	407.184	3.710	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587750877	KAPJICIJDKXPIH-WNWIJWBNSA-N	405.227	3.996	5	1	HHBF	
COc1cc(OC)c2c(=O)c3c(O)c(OC)c4c(c3oc2c1OC)C=CC(C)(C)O4	96085614	BSWKVMNQZNMVIO-UHFFFAOYSA-N	414.410	3.870	5	1	HHBF	in-vitro
CCN(CC)[C@H]1CCN(C(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)C1	169349313	OAJTVMLBAZMIAU-IBGZPJMESA-N	414.509	3.557	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)nn1CC(F)(F)F	587092438	OUGYDPUJYSVGHI-UHFFFAOYSA-N	408.109	3.799	5	1	HHBF	
O=C(c1cc([N+](=O)[O-])ccc1Cl)c1c(CO)oc2cc(Br)cnc12	587276698	RXJZHLASHWRHLM-UHFFFAOYSA-N	411.595	3.875	5	1	HHBF	
NC[C@@H]1CCC[C@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])C1	28898835	UMWYQPRNJCZAEF-KGLIPLIRSA-N	404.902	3.827	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(OC(F)(F)F)cc3)n1)C2	72142758	PWXPKUBKNYAOKU-ZDUSSCGKSA-N	422.319	3.592	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)cc(OC)c2[nH]1	587263343	LOKWAEJFMZYOKC-NSHDSACASA-N	415.402	3.840	5	1	HHBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21	587745673	IDKXPLRWUKUHHH-ADLMAVQZSA-N	409.255	3.921	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1	587939423	CJSNYFUOPHEBNU-UHFFFAOYSA-N	404.220	3.981	5	1	HHBF	
Cc1nccn1CCCCNC(=O)c1ccc2nc3ccc(C(C)C)cc3c(=O)n2c1	29562043	HXAIEPAJUDSFBB-UHFFFAOYSA-N	417.513	3.686	5	1	HHBF	
CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1C	40827910	BNPRWKQFTZFMFY-UHFFFAOYSA-N	420.491	3.825	5	1	HHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	80479400	BEJFKXPICQIWOE-PZJWPPBQSA-N	422.437	3.960	5	1	HHBF	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)c1ccc(F)cc1C[C@H]1CCCN12	963115226	VHAULKGWOOEVHD-LJQANCHMSA-N	409.461	3.886	5	1	HHBF	
O=C1C[C@H](Cc2nc3cccc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1	587002489	HCOROKNUKHJFHT-VIFPVBQESA-N	402.204	3.869	5	1	HHBF	
CNC(=O)c1cc(Oc2ccc(C3=NN[C@H](c4cccc([N+](=O)[O-])c4)C3)cc2)ccn1	1857641442	UMBAEVIYFDHVBJ-FQEVSTJZSA-N	417.425	3.580	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H](C2)C3=O	587414518	VZRJEAVTXSCAAK-DYZYQPBXSA-N	406.188	3.560	5	1	HHBF	
CCCCc1nc2c(N)nc3ccc([N+](=O)[O-])cc3c2n1Cc1ccc(CN)cc1	84620026	KWSGZZPRRPCJET-UHFFFAOYSA-N	404.474	3.925	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587747913	STSNTWQWXXSWLB-VPTHRUTESA-N	409.211	3.638	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	587265181	LZKALBOHWKZWOS-VIFPVBQESA-N	416.743	3.971	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o1)O2	587378682	DEEFICMEKMKGOQ-MRXNPFEDSA-N	402.794	3.683	5	1	HHBF	
COc1ccc([C@@]2(Cn3cc([N+](=O)[O-])nc3C)NCCc3ccc(F)c(C)c32)cc1	962297746	KXFCAUJZFIUARP-JOCHJYFZSA-N	410.449	3.645	5	1	HHBF	
CC[N+](CC)=c1ccc2nc3c(cc(NCCC(=O)OC)c4ccccc43)oc-2c1	29058710	KBBZTKKUSFQBPF-UHFFFAOYSA-O	404.490	3.873	5	1	HHBF	
Nc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1N	587118336	MJEQDYRWGFLESM-UHFFFAOYSA-N	417.351	3.566	5	1	HHBF	
CNC(=O)c1cc(Oc2ccc(C3=NN[C@@H](c4ccc([N+](=O)[O-])cc4)C3)cc2)ccn1	1857640495	CAYGUSOXJNMPLI-LJQANCHMSA-N	417.425	3.580	5	1	HHBF	
CC(C)=CCc1c2c(c(O)c3c(=O)c4c(O)ccc(O)c4oc13)C[C@H](C(C)(C)O)O2	14610218	BOLYIYCSCKSMCJ-OAHLLOKOSA-N	412.438	3.646	5	1	HHBF	biogenic
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1c(F)cccc1F	473124191	WUPLUWMVYPZJNY-UHFFFAOYSA-N	417.368	3.814	5	1	HHBF	
Nc1cc([N+](=O)[O-])ccc1[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963175658	HDUQJYFPIQJGEF-SWLSCSKDSA-N	415.755	3.538	5	1	HHBF	
CN(C)c1ccc2c(-c3ccc(C(N)=O)s3)c3ccc(=[N+](C)C)cc-3sc2c1	40951515	WXVJXYKQURRORW-UHFFFAOYSA-O	408.572	3.931	5	1	HHBF	
COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)c([N+](=O)[O-])cc41)[C@@H](C2)C3=O	587419986	VJXMRJOHNZVRLA-ORAYPTAESA-N	416.227	3.955	5	1	HHBF	
O=C(NCc1ccccc1)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82135755	FMCAFHZWNUIRQM-UHFFFAOYSA-N	403.442	3.582	5	1	HHBF	
CC[C@H]1C[N+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@H]3[C@H]5O	195037278	JWNJXPKXYBPWQH-ZSEFDPPSSA-N	407.582	3.713	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc([N+](=O)[O-])cc12	587574649	GEDPSSBJBNDYCD-DENIHFKCSA-N	405.362	3.940	5	1	HHBF	
C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC(c2ccc(F)cc2)=NN1	28710406	AAWCPYZRCZFYOV-QGZVFWFLSA-N	410.327	3.848	5	1	HHBF	
NC[C@@H]1CCC[C@@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])C1	28898824	UMWYQPRNJCZAEF-ZIAGYGMSSA-N	404.902	3.827	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cc(F)c(F)c(F)c3)cc1)C2	45258252	HKXOOLHTONMYHD-AWEZNQCLSA-N	405.332	3.853	5	1	HHBF	
COc1c(O)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587746332	MQZFZUYOZINZGN-VXJOIVPMSA-N	411.227	3.834	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCC(C)C)cccc3nc12	40954327	LKJADGCHDSZYKE-OALUTQOASA-N	410.470	3.623	5	1	HHBF	biogenic
O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1[N+](=O)[O-]	587119251	ANMIYULEEYRREV-UHFFFAOYSA-N	410.312	3.522	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1[N+](=O)[O-]	587266993	DFZLDODISMOZMV-UHFFFAOYSA-N	409.377	3.837	5	1	HHBF	
CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(Br)cc1	586985584	PHFFHJYGPLLCNT-AWEZNQCLSA-N	417.263	3.962	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C	587862594	DRLYMQAQZCWRBD-LLVKDONJSA-N	423.351	3.892	5	1	HHBF	
CC(C)=CCC[C@@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@@H](O)[C@@H]1O	84756842	VBFDKVIOWWFFOQ-XPWALMASSA-N	412.438	3.649	5	1	HHBF	
COc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587260975	NQTHYRRORNNPPR-UHFFFAOYSA-N	422.191	3.616	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CCO)cc2[nH]1	587055354	OXYVWBSKGWHNHN-SFHVURJKSA-N	416.865	3.786	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2c1OCOC2	587575310	IYUZAEJYEIZIOB-XMSQKQJNSA-N	421.361	3.870	5	1	HHBF	
Cc1nn(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-]	587748493	VBFOXETYHZWLDT-XLFHBGCDSA-N	411.275	3.759	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@H](O)[C@H](CCC(C)C)C(=O)OC)cccc3nc12	2356805573	ZWDLNJITQHGPIV-KKSFZXQISA-N	410.470	3.828	5	1	HHBF	
CCCSC[C@@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F	28085683	RQXYJQNTRHMCOU-GFCCVEGCSA-N	420.331	3.989	5	1	HHBF	
O=[N+]([O-])c1cnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1	587090880	AZMFPHCWKUDXCS-UHFFFAOYSA-N	407.230	3.888	5	1	HHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587260561	UTSFNWOOMRYHJT-FKTZTGRPSA-N	400.660	3.639	5	1	HHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3	587267396	YGYVRQVVNRFJGJ-BBATYDOGSA-N	411.418	3.792	5	1	HHBF	
Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NC(C)(C)C	36190410	NHHSZFFUNUCPFW-UHFFFAOYSA-N	420.491	3.742	5	1	HHBF	
COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2n(C)c2ccccc12	469740567	WGMQEWPAWRZGLI-UHFFFAOYSA-N	407.495	3.944	5	1	HHBF	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135672	SVLZKEJGBSQWAC-HOTGVXAUSA-N	409.490	3.770	5	1	HHBF	
COC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	587511298	OUJJYRMNGJWZLE-FQEVSTJZSA-N	411.410	3.732	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(Cc1cccc([N+](=O)[O-])c1)CC2=O	587473560	XRGFFGSVINJQIR-JOCHJYFZSA-N	413.426	3.763	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21	66262299	IXJXZCQVJAKVQF-UHFFFAOYSA-N	423.406	3.547	5	1	HHBF	
COc1cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c(O)c([C@@H](O)c2ncc([N+](=O)[O-])n2C)c1	1857536179	XWBGHGYYCLBLJR-GZRKFDBDSA-N	413.474	3.664	5	1	HHBF	
CCOC(=O)C1=C(C)N(O)C(=S)N[C@@H]1c1cccc(-c2ccc([N+](=O)[O-])cc2)c1	1857773309	NDOBFRNIAPVMPT-GOSISDBHSA-N	413.455	3.719	5	1	HHBF	
CC[C@@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cccc2[nH]1	587179999	BSSFEPUCVSTEKD-MRVPVSSYSA-N	411.203	3.910	5	1	HHBF	
O=C(NCCCCc1cccnc1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1	29559450	DKVCJHBRBBPIGM-UHFFFAOYSA-N	406.873	3.649	5	1	HHBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573371	BJCKDMOTSNUKFZ-UWJYYQICSA-N	409.350	3.718	5	1	HHBF	
Cc1nn(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-]	587748544	VMPUDQBPWCDDGV-XYZCENFISA-N	411.275	3.759	5	1	HHBF	
COc1cc2c(cc1[N+](=O)[O-])C[C@@H](C(=O)c1ccc(OC)c(OC)c1OC)CC2	1857761158	YOEQWINNEWKNSJ-ZDUSSCGKSA-N	401.415	3.617	5	1	HHBF	
COc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260869	JVYXQJRTMPBQJF-UHFFFAOYSA-N	413.615	3.966	5	1	HHBF	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O	587747921	QWNWHVIGEUANNB-CQLKUDPESA-N	411.227	3.834	5	1	HHBF	
C[C@]1(COc2ccc(-c3ccc(F)cc3F)cn2)CCn2cc([N+](=O)[O-])nc2O1	1772632141	PXOQSDPMDFOLTP-LJQANCHMSA-N	402.357	3.752	5	1	HHBF	
CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)cc1	3814591	NIMMNBHTAIIQRY-UHFFFAOYSA-N	411.361	3.870	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C	587871977	RNXOYSRGPJDRKL-CYBMUJFWSA-N	401.398	3.711	5	1	HHBF	
O=C(c1cc([N+](=O)[O-])ccc1O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587655919	DMPCQUTUGQPQAI-UHFFFAOYSA-N	423.331	3.644	5	1	HHBF	
CC1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149775	IPRMNSVKXMGFDV-UHFFFAOYSA-N	409.490	3.914	5	1	HHBF	
CC(=O)Nc1nc(C)c(-c2nn(CNc3cccc([N+](=O)[O-])c3)c(=S)o2)s1	96914071	OQKIBYOHOPHFFF-UHFFFAOYSA-N	406.449	3.574	5	1	HHBF	
Cn1c2ccccc2c(=Nc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])cc21	378063496	SIFOOVWKUYQDRN-UHFFFAOYSA-N	422.466	3.844	5	1	HHBF	
CC1(C)C=Cc2c(c(O)cc3c(=O)c4c(O)c5c(cc4oc23)O[C@@H](CO)C5(C)C)O1	1772578773	NPEWBWXNUSJMFK-HNNXBMFYSA-N	410.422	3.573	5	1	HHBF	
C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1Oc1ccc([N+](=O)[O-])cc1	1772627773	ILZIIKVZKMXDQE-KXBFYZLASA-N	419.478	3.965	5	1	HHBF	
Cc1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2cc1[N+](=O)[O-]	586953969	VGZJZOCIWGRASY-UHFFFAOYSA-N	415.456	3.704	5	1	HHBF	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587043335	PMYIEOGPFFUFST-NSHDSACASA-N	413.297	3.854	5	1	HHBF	
COCCNC(=O)c1ccc(NCc2ccccc2)c2c(=O)c3cccc(C)c3[nH]c12	1772619745	ZLCZIZZBVANRHX-UHFFFAOYSA-N	415.493	3.978	5	1	HHBF	
O=C1Nc2c(COc3ccc([N+](=O)[O-])cc3)ccnc2N(C2CC2)c2ncccc21	5933765	SCKIIHAKGWQILD-UHFFFAOYSA-N	403.398	3.830	5	1	HHBF	
COc1cc([C@@H]2Oc3ccc4c(=O)c5ccccc5oc4c3O[C@H]2CO)ccc1O	98084691	NPNAAJZAXIAJHN-FPOVZHCZSA-N	406.390	3.534	5	1	HHBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccc(F)cc1	299849707	RBTFRNKAFXLRHY-YYTDSSBASA-N	403.413	3.747	5	1	HHBF	
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=S)S[C@H](C[N+](=O)[O-])c1ccccc1	1857767817	ADMRXWRESJLJDV-HRCADAONSA-N	423.560	3.716	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)cc3)n1)C2	66263773	JEXMFHYWCFHYPO-HNNXBMFYSA-N	420.347	3.850	5	1	HHBF	
Cc1c(Br)cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1C	586920858	ZTPAWCJIVLNMIK-UHFFFAOYSA-N	424.276	3.824	5	1	HHBF	
C[C@@H]1CN(CCCn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1	26578174	SSWKMYAPMFQZNI-HUUCEWRRSA-N	411.462	3.683	5	1	HHBF	
CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC3	169686293	RUOMRVIJJPUZCT-ROUUACIJSA-N	408.458	3.868	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2	587031108	LOWRBWGXLWKUGV-TZZQWBKVSA-N	416.488	3.993	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(CO)cc2[nH]1	587053543	GHKUBZYWSGPLAR-KRWDZBQOSA-N	402.838	3.744	5	1	HHBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587747474	OBEVUALHCKYCMK-YPMLDQLKSA-N	407.239	3.863	5	1	HHBF	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1O	587748836	WTJLRUCXWTXFDA-RBHXEPJQSA-N	411.227	3.834	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2	66262715	XTAPWFPFCADWTR-INIZCTEOSA-N	420.347	3.850	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)[C@@H](C2)C3=O	587414517	VZRJEAVTXSCAAK-BTDLBPIBSA-N	406.188	3.560	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	587573070	BALDVQUMKPWAJJ-GHTZIAJQSA-N	407.334	3.732	5	1	HHBF	
COCCOC(O)=C1C(C)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	2356813599	FXLASALIDJKUIQ-LJQANCHMSA-N	418.446	3.811	5	1	HHBF	
COC(=O)[C@@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@H](O)CCCC(C)C	40976804	ONEYDSBBYZVTOT-MOPGFXCFSA-N	410.470	3.925	5	1	HHBF	biogenic
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)CCCCCCCCCCCCC(=O)O	96094910	AHBCTRVDGQMKHC-GOSISDBHSA-O	402.552	3.845	5	1	HHBF	in-vitro
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3c(c2[nH]1)CCCC3	587267398	YGYVRQVVNRFJGJ-ZMZPIMSZSA-N	411.418	3.792	5	1	HHBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573369	BJCKDMOTSNUKFZ-UTKZUKDTSA-N	409.350	3.718	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	587265250	VFOVKQYXLGPXFI-LLVKDONJSA-N	424.413	3.707	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1	587270136	QMPJSEFSIQHCAY-UHFFFAOYSA-N	413.365	3.538	5	1	HHBF	
COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1	587643440	FJYRDUPPOSPEMF-UHFFFAOYSA-N	403.188	3.856	5	1	HHBF	
Cc1c2ccccc2nc2c1c1cc(NC(=O)[C@@H]3CCCN3)ccc1n2CCN(C)C	653760857	HKRXVIWZPBCMTQ-NRFANRHFSA-N	415.541	3.903	5	1	HHBF	
CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@@H]3[C@H]5O	253659846	JWNJXPKXYBPWQH-JZISVFEBSA-N	407.582	3.713	5	1	HHBF	
COC(=O)c1cc2c([N+](=O)[O-])cccc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O	1772639035	XHRMSHKGGDXWFY-UHFFFAOYSA-N	422.315	3.643	5	1	HHBF	
COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1	587743884	BXPNVAODRARBLK-XLFHBGCDSA-N	423.238	3.907	5	1	HHBF	
CC[C@H](CO)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ncn(C(C)C)c2c1	61949040	QYAWNUPCMVUZOM-MRXNPFEDSA-N	412.446	3.927	5	3	HHBF	
O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1ccccc1[N+](=O)[O-]	96922647	ATLGHGMQRAHWIL-UHFFFAOYSA-N	407.411	3.975	5	1	HHBF	
Cc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Cl	587265767	XHKHUZXOQBDKBQ-ABKXIKBNSA-N	405.798	3.875	5	1	HHBF	
O=[N+]([O-])c1c(Br)ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12	586927169	UXRJNUNPULPGPL-HJWRWDBZSA-N	408.233	3.678	5	1	HHBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(I)cnc3[nH]2)c1F	587139877	RBPPUSAAXDWQTH-UHFFFAOYSA-N	418.553	3.930	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1[N+](=O)[O-]	587121179	WGGMTXRCWOQVBQ-UHFFFAOYSA-N	410.190	3.807	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1	587269912	GDRMVGCBFNWWQX-UHFFFAOYSA-N	422.441	3.652	5	1	HHBF	
CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC3	169686287	QHRIUVOIKYNLOD-ZWKOTPCHSA-N	408.458	3.868	5	1	HHBF	
COc1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1OCC(=O)NC(C)C	587223095	MAMNSTSMNOGKQK-UHFFFAOYSA-N	418.837	3.704	5	1	HHBF	
CCN(CC)c1ccc2cc(C3=NN[C@@H](c4ccc([N+](=O)[O-])cc4)C3)c(=O)oc2c1	1857759581	KZTIMZLDXFLCEX-LJQANCHMSA-N	406.442	3.986	5	1	HHBF	
CC(=O)Nc1nc(C)c(-c2nn(CNc3ccccc3[N+](=O)[O-])c(=S)o2)s1	96914070	WILLDCNRZRQXME-UHFFFAOYSA-N	406.449	3.574	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1	587577332	RWFPTRLZWIZHEX-RXVVDRJESA-N	421.361	3.790	5	1	HHBF	
COc1c(O)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587746328	MQZFZUYOZINZGN-AYVTZFPOSA-N	411.227	3.834	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)c(F)cc4[nH]3)nn2)c1	587269245	JGIGECWATGGIEJ-UHFFFAOYSA-N	403.171	3.620	5	1	HHBF	
C[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@]12C=CC(=O)O2	299830997	HWEOOMJLQPABIA-ZTZKXTLQSA-N	412.354	3.735	5	1	HHBF	
COc1ccc([C@@H]2[C@H]3CCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1857565703	SVMNZIAURFYTRU-PKOBYXMFSA-N	401.444	3.505	5	1	HHBF	
NC[C@H]1CC[C@@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1	101101645	TUJUZVJICDSNLY-HDJSIYSDSA-N	404.902	3.827	5	1	HHBF	
O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587203098	NNNFBRQXEOZRFR-CQSZACIVSA-N	418.793	3.567	5	1	HHBF	
Nc1ncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	587267873	HNIXRJSFDZWAIW-UHFFFAOYSA-N	402.130	3.897	5	1	HHBF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12	962903653	MRKOMYFNEBGPCA-HTAPYJJXSA-N	406.369	3.730	5	1	HHBF	
O=[N+]([O-])c1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587264918	QEFWUXMNMAMPGH-UHFFFAOYSA-N	412.587	3.781	5	1	HHBF	
COCCOc1ccc2oc3c4ccccc4oc(=O)c3c2c1CN1CCCC1=O	1857587106	UXCMZOHDISXJAJ-UHFFFAOYSA-N	407.422	3.840	5	1	HHBF	
COc1ccc(OC)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1OC	587791819	HDVWYALMYAOLMT-UHFFFAOYSA-N	408.208	3.926	5	1	HHBF	
O=[N+]([O-])c1cccc(CN2[C@@H](COCc3ccccc3)CCC=CS2(=O)=O)c1	13831016	MYIOMOCVTRFSNP-HXUWFJFHSA-N	402.472	3.620	5	1	HHBF	
COc1cccc(NC(=O)c2cnc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)c1	299859088	VXINCKGSVHFTRL-UHFFFAOYSA-N	404.426	3.813	5	1	HHBF	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1	587277558	YJXZMMYDZSBKMD-GFCCVEGCSA-N	407.386	3.856	5	1	HHBF	
COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587577715	UFYYNGAVTUIWDM-XMSQKQJNSA-N	423.377	3.892	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751418	MGBIPXGQGSHVSN-YYSFKGJASA-N	405.223	3.861	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1	587863112	RAUYYRLRXBSXMN-LLVKDONJSA-N	423.351	3.892	5	1	HHBF	
Oc1c(I)cc(Br)c2nc3ccccc3nc12	653894992	COBNKMOODLHBOV-UHFFFAOYSA-N	401.001	3.856	5	1	HHBF	
CC(C)C[C@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553684	FIRFMWADFZBSPE-MRXNPFEDSA-N	410.861	3.628	5	1	HHBF	
C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	587275263	AVXUNFKXAKAWKQ-LURJTMIESA-N	420.145	3.938	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)o1)[C@@H](C2)C3=O	587421500	MVMOQRXZEXGYAS-KPZWWZAWSA-N	415.789	3.583	5	1	HHBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1	653833359	FJYJCKJDRVGQFG-AWEZNQCLSA-N	408.414	3.719	5	1	HHBF	
C[C@@]1(COc2ccc(-c3ccc(F)cc3F)nc2)CCn2cc([N+](=O)[O-])nc2O1	1772635185	VNSRIXOXOAGRPH-IBGZPJMESA-N	402.357	3.752	5	1	HHBF	
O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)C2)ccc1CO	1857770516	BFPNKWNLPSACDB-MRXNPFEDSA-N	411.380	3.672	5	1	HHBF	
CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1cccc([N+](=O)[O-])c1)CCCC3	169686288	QHRIUVOIKYNLOD-MSOLQXFVSA-N	408.458	3.868	5	1	HHBF	
COc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1	587054915	NBMUZZGWORKVAY-OAHLLOKOSA-N	403.826	3.655	5	1	HHBF	
COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1	587745950	IOQRMZGJLVLGTE-XYZCENFISA-N	423.238	3.907	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](Cc1ccc(F)cc1)CCO2	1857590090	QBKCJNOMOVTFGV-INIZCTEOSA-N	402.422	3.971	5	1	HHBF	
O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	2482170	RCIOTBSTIHKOHH-UHFFFAOYSA-N	422.224	3.946	5	1	HHBF	
O=c1[nH]n([C@H](c2ccccn2)C2CCCC2)c(=O)c2c(O)c3ccc(Cl)cc3nc12	13553687	VIURRUCEASJZMV-IBGZPJMESA-N	422.872	3.772	5	1	HHBF	
O=C1CCOc2c(OCCNCCCCc3ccc([N+](=O)[O-])cc3)cc(F)cc21	13780402	PBVJEFZQGVFFBO-UHFFFAOYSA-N	402.422	3.690	5	1	HHBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1	587269456	NUFDPHSSEQMLGL-UHFFFAOYSA-N	407.474	3.571	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587750874	KAPJICIJDKXPIH-QPFGOUBPSA-N	405.227	3.996	5	1	HHBF	
C[C@](O)(CSc1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	13554380	FWRSZVPNBCWJAI-INIZCTEOSA-N	415.393	3.678	5	1	HHBF	
Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)c3cccc(-c4ccccc4)c3)CC2)n1	473249336	UWYHWNJXCVWKRM-UHFFFAOYSA-N	402.454	3.928	5	1	HHBF	
COC(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587578275	VRZPSWAWIDJAMO-UTKZUKDTSA-N	421.361	3.790	5	1	HHBF	
CC(C)(C)OC(=O)NCc1[nH]c2cccc([N+](=O)[O-])c2c1CCCC1OCCO1	587646753	KBZGVOCBMZPVBK-UHFFFAOYSA-N	405.451	3.796	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2	587030786	IHIHGYQRVSCQQF-DKBJHAQFSA-N	416.488	3.993	5	1	HHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1	587649475	VQZAQWIVPFNUBH-UYRXBGFRSA-N	419.441	3.588	5	1	HHBF	
CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C=C([N+](=O)[O-])C(C)(C)O2	28705778	NPYDAGYBAOBXGT-UHFFFAOYSA-N	409.442	3.708	5	1	HHBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4cncnc4)cn3c(=O)c2c1	29553910	RUAOGLCGDIBHJR-UHFFFAOYSA-N	415.497	3.514	5	1	HHBF	
O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc([N+](=O)[O-])s2)no1	299859753	YKJURUDIGXXHML-CQSZACIVSA-N	414.443	3.839	5	1	HHBF	
COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1	587054923	NDJNDKQCNWCTIX-MRXNPFEDSA-N	403.826	3.655	5	1	HHBF	
O=[N+]([O-])c1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c([N+](=O)[O-])c1	587263826	FUDFIFUKVNQNQO-UHFFFAOYSA-N	412.587	3.781	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc(C(=O)c4ccc([N+](=O)[O-])cc4)cn1C)[C@@H](C2)C3=O	587434671	YDSMHEKFNGPFTI-SBUREZEXSA-N	418.405	3.662	5	1	HHBF	
C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575966	LOBHJDLKCZDFRG-UGKGYDQZSA-N	421.361	3.906	5	1	HHBF	
C[C@@]1(CCc2ccccc2[N+](=O)[O-])N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962636166	PFNQZUDMNNKLRQ-KUHUBIRLSA-N	424.375	3.940	5	1	HHBF	
O=C(O)[C@@H]1CCCC[C@@H]1C[C@@]1(c2cccc([N+](=O)[O-])c2)NCCc2ccc(O)cc21	963340055	FPGJZBCMTOGXKF-LQNXUBFPSA-N	410.470	3.971	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1ccc(F)c(F)c1	473123211	UGIWIRLEDSKWGU-UHFFFAOYSA-N	417.368	3.814	5	1	HHBF	
COc1ccccc1CCNC[C@@H](O)COc1cccc2c(=O)c3ccccc3oc12	1857538486	FWWXMKNXNARAHK-GOSISDBHSA-N	419.477	3.527	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3	587265256	VFOVKQYXLGPXFI-NSHDSACASA-N	424.413	3.707	5	1	HHBF	
CC(=O)N/C(=C\c1ccccc1[N+](=O)[O-])C(=O)n1nc2cc1Oc1ccc(F)cc1-2	587874718	IZMHIUCGGSEBFG-PXNMLYILSA-N	408.345	3.521	5	1	HHBF	
COc1c(C(=O)OC(F)(F)F)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12	29043479	BOKVFPHZBOIKMY-UHFFFAOYSA-N	419.311	3.781	5	1	HHBF	
O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1cccc([N+](=O)[O-])c1	103210217	HTFZHKDTMWLQSC-HXUWFJFHSA-N	412.409	3.858	5	1	HHBF	
N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1F	587143977	GRODMFPJWTXLKN-SNVBAGLBSA-N	424.186	3.523	5	1	HHBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1	587264666	PGTVFGOPDVCMIG-MLXNANBUSA-N	409.761	3.706	5	1	HHBF	
CN(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1	586929248	RTDOWZQMMBSZQZ-UHFFFAOYSA-N	415.258	3.599	5	1	HHBF	
O=C(N[C@@H]1CCCCN(Cc2cccc(Cl)c2)C1=O)c1cccc([N+](=O)[O-])c1	199358546	UASZTHIZRXLNEQ-GOSISDBHSA-N	401.850	3.559	5	3	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c(F)c4[nH]3)nn2)c1	587270642	XTURDJHSQZODHK-UHFFFAOYSA-N	403.171	3.620	5	1	HHBF	
CCCCn1c(=O)c2cc(OC)c(OC)cc2c2nnc3cc4c(cc3c21)OCO4	13649128	QXUQPFPSECBSJC-UHFFFAOYSA-N	407.426	3.644	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587423286	TZTGSDOCUULSCX-BBATYDOGSA-N	407.325	3.702	5	1	HHBF	
CCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	45339460	GBUPAHJHIJULEM-IBGZPJMESA-N	402.447	3.736	5	1	HHBF	
COc1cc(C(=O)Nc2ccc(Br)cc2[N+](=O)[O-])cc(OC)c1OC	82155531	BIYFVVFQLBECRQ-UHFFFAOYSA-N	411.208	3.635	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1[C@H](CO)CC3	14945600	OIWOJECTXFWECL-LBPRGKRZSA-N	413.408	3.931	5	1	HHBF	
COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586980118	JSTZRJOWUJDWKJ-UHFFFAOYSA-N	424.182	3.773	5	1	HHBF	
Cc1c(Cl)ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12	587263907	HWERHHQIWXVFMV-ABKXIKBNSA-N	405.798	3.875	5	1	HHBF	
C[C@@]1(Cc2ccc(Cl)cc2[N+](=O)[O-])N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963229618	PPTSZIYEGSLMCI-RXVVDRJESA-N	411.845	3.853	5	1	HHBF	
CCOC(=O)c1cc(-c2ccccc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	12477070	KPMGZZPMNYKWSE-SFHVURJKSA-N	420.425	3.828	5	3	HHBF	
CC(C)C[C@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553705	WQYYIHSCYVKVIN-MRXNPFEDSA-N	410.861	3.628	5	1	HHBF	
COc1c(O)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587574962	HKPQGFQIQJTTDX-OXJNMPFZSA-N	409.350	3.718	5	1	HHBF	
Cc1cc([N+](=O)[O-])nn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587341049	IPEGRVPGMWCUEK-CTNGQTDRSA-N	411.389	3.762	5	1	HHBF	
COCCOc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)cc1[N+](=O)[O-]	587265796	RDLFVSRIFWKBDI-UHFFFAOYSA-N	407.224	3.629	5	1	HHBF	
Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc(C(F)(F)F)c1	653843495	IWFJBPCGCWAHPS-UHFFFAOYSA-N	422.407	3.926	5	1	HHBF	
O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	1772625015	MOKJARNULUKWDZ-QFIPXVFZSA-N	418.449	3.929	5	1	HHBF	
O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1	66076309	QZVAULBQLGJGEN-UHFFFAOYSA-N	423.904	3.951	5	3	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(OC(F)(F)F)cc3)ccn1)C2	72124650	QMHIQOITEXMUFW-AWEZNQCLSA-N	422.319	3.592	5	1	HHBF	
COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)s2)cc1F	45246084	KJHSMTNMASTYBF-LBPRGKRZSA-N	405.407	3.645	5	1	HHBF	
COc1cc(C(=O)c2sc(-c3ccc([N+](=O)[O-])cc3)nc2N)cc(OC)c1OC	84669611	RPJBFTALERTWTD-UHFFFAOYSA-N	415.427	3.557	5	1	HHBF	
COc1ccc([C@@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1	169321810	FPLRCDJDIPDEFS-PIATZUFCSA-N	415.449	3.616	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587743971	CCPXKASDFHPURW-YPMLDQLKSA-N	423.238	3.553	5	1	HHBF	
C[N+]1(CCCF)[C@H]2CC[C@H]1CC(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	1857603764	ARMJUIHNEFCOOI-SRRHAGQNSA-N	412.525	3.965	5	1	HHBF	
O=C1c2c(nc3ccccn23)NC(c2ccc([N+](=O)[O-])cc2)=N[C@H]1Cc1ccccc1	200213034	SEJIFAGMTFMAEN-SFHVURJKSA-N	411.421	3.909	5	1	HHBF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1	586939783	WZDYKVQEIVSHLU-MRXNPFEDSA-N	408.867	3.800	5	1	HHBF	
CCc1cc(O)nc(SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)n1	586967852	GCQJKTDFFDAZPE-UHFFFAOYSA-N	410.253	3.584	5	1	HHBF	
C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-]	586988110	ZIMIGFLWQCLNSO-BPNCWPANSA-N	418.405	3.720	5	1	HHBF	
CN1C(=O)C[C@H]2CN[C@H](c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)c3cccc1c32	963028297	MATJRQWRUQKQLM-BBATYDOGSA-N	407.348	3.636	5	1	HHBF	
COc1cc2c3c(c4ccc(OCC(N)=O)cc4c2cc1OC)CN1CCCC[C@@H]1C3	1772626723	VFMKKJHUVGQTNX-OAHLLOKOSA-N	420.509	3.785	5	1	HHBF	
Cc1c(N2CCc3ccccc3C2)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(C3CC3)c12	27518949	NSJJLSZVDLRPMW-UHFFFAOYSA-N	419.437	3.814	5	1	HHBF	
CS(=O)(=O)c1ccc(-c2cc(/C=C/C[N+](=O)[O-])nn2CC2CCCCC2)cc1	26288605	ODYPFHIIYKVBCO-VMPITWQZSA-N	403.504	3.824	5	1	HHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587264361	QTABXMUHWSZAJE-HRDYMLBCSA-N	405.760	3.775	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587749769	FOPHBDGVLZPEMC-LZVRBXCZSA-N	405.223	3.861	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	103190950	MUXFZNFDJGUEAY-UHFFFAOYSA-N	406.203	3.919	5	1	HHBF	
COc1ccc([N+](=O)[O-])cc1-c1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(F)ccc32)o1	962917545	HITJVYIHKYKHSB-JXFKEZNVSA-N	412.373	3.691	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2	115605540	AMDZXSOAYLNZSB-AWEZNQCLSA-N	422.319	3.592	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587752625	SLJGVNDDAMTPPS-HUTHGQBESA-N	423.238	3.987	5	1	HHBF	
Cc1cnc(-c2cccnc2)n1CCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	1857772485	DWXNENDIFZVRGB-UHFFFAOYSA-N	409.446	3.697	5	1	HHBF	
COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1	27845105	XFBLOXBZPBPFOI-URXFXBBRSA-N	423.513	3.756	5	1	HHBF	
CN1C(=O)C[C@@H]2CN[C@H](c3cc(Br)c(F)cc3[N+](=O)[O-])c3cccc1c32	963032728	VEOVFVFVMHLBSU-LZVRBXCZSA-N	420.238	3.639	5	1	HHBF	
COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C(=O)[C@H](O)C(C)(C)O2	26826101	QXDHGZCXAXLEMG-QHCPKHFHSA-N	403.434	3.568	5	1	HHBF	
CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-])CCCC3	35079575	OWDDOOZVDQHYQH-GOSISDBHSA-N	408.458	3.845	5	1	HHBF	
CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587043331	PMYIEOGPFFUFST-LLVKDONJSA-N	413.297	3.854	5	1	HHBF	
NS(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1	587271788	ISELXYIEOSJEHR-UHFFFAOYSA-N	410.411	3.578	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@](CO)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1	587342304	MSJAPWVKYZLDHR-RBBKRZOGSA-N	409.369	3.686	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cncc([N+](=O)[O-])c3[nH]1)N2	587030784	IHIHGYQRVSCQQF-DAVUEJTQSA-N	416.488	3.993	5	1	HHBF	
COC(=O)c1ccc(Oc2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)cc1	587268370	UARUODSKHUFKKJ-UHFFFAOYSA-N	405.370	3.694	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1	587748717	VVXWJPHNHCXXND-XLFHBGCDSA-N	423.238	3.907	5	1	HHBF	
COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1Nc1ccc(C)cc1	653687428	FCLFAWALTWFASK-UHFFFAOYSA-N	419.437	3.903	5	1	HHBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)CC1	963108334	OULOGHCBSOYXKN-MBSDFSHPSA-N	410.493	3.596	5	1	HHBF	
CCOc1c2c3c(c(OCC)c1OC)-c1cc(CO)c(O)cc1C[C@@H]3[N+](C)(C)CC2	59587402	SLCHKMYHZYNJRS-SFHVURJKSA-O	414.522	3.587	5	1	HHBF	biogenic,in-vitro
COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1	587743886	BXPNVAODRARBLK-XYZCENFISA-N	423.238	3.907	5	1	HHBF	
CC(=O)Nc1cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc([N+](=O)[O-])c1	1772620157	FSKSBZVKEVDYFK-UHFFFAOYSA-N	415.387	3.804	5	1	HHBF	
CC(C)OC(=O)C1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC(F)(F)C1	587131137	ZJBBKANWQFSKHD-UHFFFAOYSA-N	418.194	3.852	5	1	HHBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577959	VBPHZBWPDKBROM-UGKGYDQZSA-N	405.362	3.747	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C	587865734	HCZGXWAFJNHUFK-UHFFFAOYSA-N	423.351	3.721	5	1	HHBF	
O=[N+]([O-])c1cc2c(c([C@H]3NC4(CC4)Cc4ccc(Br)cc43)c1)OCOC2	961319481	IRDOQIZZEWEVRU-KRWDZBQOSA-N	417.259	3.992	5	1	HHBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577957	VBPHZBWPDKBROM-KNQAVFIVSA-N	405.362	3.747	5	1	HHBF	
O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1F	586970374	YOZQHOIAUQZHGZ-UHFFFAOYSA-N	415.362	3.681	5	1	HHBF	
COC(=O)c1cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc([N+](=O)[O-])c1	961616173	RFGAHQMSWGOVSY-KRWDZBQOSA-N	417.259	3.912	5	1	HHBF	
COc1cc2c(cc1OCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12	14969855	ILSVJHIUADSCQN-UHFFFAOYSA-N	405.502	3.748	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1	587058066	ZZZHJIFAHHXXEC-AWEZNQCLSA-N	418.797	3.555	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587275016	ZMPDXTTWPLGFQH-UHFFFAOYSA-N	404.146	3.806	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCn1nc([N+](=O)[O-])cc1C)O2	587388571	DIKWVBGIZRRUJS-IBGZPJMESA-N	408.414	3.733	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4nn(C)cc4[N+](=O)[O-])c1)[C@@H](C2)C3=O	587434358	UBZNLILTRTYHTN-YWZLYKJASA-N	407.382	3.618	5	1	HHBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577038	QTZUYQHRBLHFIC-DENIHFKCSA-N	407.378	3.804	5	1	HHBF	
CC[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1	587660706	JFKBSFVHKTWXOF-SFHVURJKSA-N	421.388	3.599	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3ccc4ncccc4c3[nH]2)cc([N+](=O)[O-])c1Cl	586927884	XEYFERVEZRFFOW-UHFFFAOYSA-N	402.819	3.743	5	1	HHBF	
COCCNC(=O)c1ccc(NCc2cccnc2)c2c(O)c3cccc(C)c3nc12	299863631	LGTKMCJQEYXVMR-UHFFFAOYSA-N	416.481	3.785	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587754666	ZXJJVXSDROPZJF-WNWIJWBNSA-N	409.211	3.849	5	1	HHBF	
COC(=O)c1cc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2cc1OC	587270756	SJKBGPBGPMDHBD-UHFFFAOYSA-N	404.382	3.995	5	1	HHBF	
O=C(O)c1ccc(Nc2ccnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1	1857551195	BKDCDWJONLUJHM-UHFFFAOYSA-N	410.411	3.802	5	1	HHBF	
O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1c(F)ccc([N+](=O)[O-])c1F	5140247	SXWANEUGKHOYOT-UHFFFAOYSA-N	414.368	3.562	5	3	HHBF	
O=C(OCCN1CCN(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	13737404	NVAXCGQTHLNGBC-UHFFFAOYSA-N	423.513	3.772	5	1	HHBF	
CCCC[C@H](c1ccccn1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553682	VSLPJYBMFGCEFG-MRXNPFEDSA-N	410.861	3.772	5	1	HHBF	
CC(C)=CCc1c2c(c3oc4c(O)ccc(O)c4c(=O)c3c1O)C[C@@H](C(C)(C)O)O2	14610226	MAMGYTJNIKXGLJ-HNNXBMFYSA-N	412.438	3.646	5	1	HHBF	biogenic
O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c([N+](=O)[O-])cccc32)[C@@H]1c1ccc(F)cc1	587343533	UGEFBVYFOKKXOR-XMSQKQJNSA-N	420.352	3.646	5	1	HHBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCC1CCCCC1	82083051	YZDXYSXDBANJRV-ZDUSSCGKSA-N	416.503	3.533	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2	587578318	WBTOLHGDLIOMKI-DENIHFKCSA-N	421.361	3.775	5	1	HHBF	
O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cccc([N+](=O)[O-])c34)cc2N1	587645025	HSKSRSFXTTZVOO-UHFFFAOYSA-N	405.288	3.657	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(F)c(Br)c2[nH]1	587118965	VIPSEUUQNWTKNA-UHFFFAOYSA-N	422.136	3.945	5	1	HHBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cncc(C)c2[nH]1	586948693	KSJNIBUVIMCDLT-UHFFFAOYSA-N	423.454	3.951	5	1	HHBF	
Cc1cc([N+](=O)[O-])nn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587341064	IPEGRVPGMWCUEK-TZIWHRDSSA-N	411.389	3.762	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)O2	587388686	GGJWKVSVPTUPOF-QFIPXVFZSA-N	405.410	3.545	5	1	HHBF	
COc1ccc([C@@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	43075695	CRMROGYPHOVPFX-AZUAARDMSA-N	415.471	3.895	5	1	HHBF	
O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccccc1	587225986	ZVFKAMPFYRDVOA-IBGZPJMESA-N	417.381	3.899	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(F)cc2[nH]1	587262840	IHYCLJYLQSZCBL-JTQLQIEISA-N	403.366	3.970	5	1	HHBF	
COC(=O)c1cc(Br)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1	587269412	CGXDKIGVEQCYJV-UHFFFAOYSA-N	404.220	3.805	5	1	HHBF	
COc1ccc2c(c1)c1cc3c(C(=O)NCCCN(C)C)nccc3c(C)c1n2C	26485545	JRDGAKCFHLHYET-UHFFFAOYSA-N	404.514	3.878	5	1	HHBF	
COc1ccc(-n2ccc(C(=O)c3cc(OC)c(OC)c(OC)c3)c2)cc1[N+](=O)[O-]	299826535	HSRRNVOBNNARGL-UHFFFAOYSA-N	412.398	3.651	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	587262230	GMRUAVYEKHVJGN-MGNBDDOMSA-N	413.390	3.546	5	1	HHBF	
CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587043684	UEIOLBLZEOOPFK-JTQLQIEISA-N	413.297	3.854	5	1	HHBF	
CC1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82135667	IIGMRAFNTOUOCH-UHFFFAOYSA-N	409.490	3.914	5	1	HHBF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	586999473	BWKHNRWMFBMKNI-UHFFFAOYSA-N	420.150	3.852	5	1	HHBF	
COC(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1	587267169	GFFVGAPVHRKIMN-UHFFFAOYSA-N	405.414	3.786	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc([N+](=O)[O-])ccc12	587579127	YXBLSZAJRSZMOB-SIKLNZKXSA-N	405.362	3.940	5	1	HHBF	
COc1c(O)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587746330	MQZFZUYOZINZGN-GLEZIHRCSA-N	411.227	3.834	5	1	HHBF	
CC[C@H](OC)[C@@H]1CCC[C@@H]2[C@@H]3C(=CCC[N@+]12[O-])OC(=C1OC(=O)C(C)=C1OC)[C@H]3C	2356311702	AZADMFYAIAVDAJ-XTDNTHDDSA-N	419.518	3.906	5	1	HHBF	
CC(=O)Oc1cc(OC(C)=O)c2c(ccc3ccc(OC(C)=O)c(OC(C)=O)c32)c1	14650953	AKYZNPWQGSIGDJ-UHFFFAOYSA-N	410.378	3.694	5	1	HHBF	biogenic
COc1c([N+](=O)[O-])c(CCCO)cc2c([N+](=O)[O-])c(-c3ccc4c(c3)OCO4)oc12	66074376	MLUOXHJNDYDFBU-UHFFFAOYSA-N	416.342	3.578	5	1	HHBF	
CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1	587020376	QACLLTHUZJCOAO-UHFFFAOYSA-N	420.407	3.774	5	1	HHBF	
COC(=O)c1cc(Br)c2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1	587159198	MNVLJQGTPLKNJA-UHFFFAOYSA-N	424.182	3.738	5	1	HHBF	
O=[N+]([O-])c1cc(N[C@@H]2CCN(Cc3ccccc3OC(F)(F)F)C2)ccc1CO	1857772899	AJMFYYDAJDVMJJ-MRXNPFEDSA-N	411.380	3.672	5	1	HHBF	
CC[C@@H](CO)Oc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c2ncn(C(C)C)c2c1	61949034	NUOMLRKKUJXDMJ-INIZCTEOSA-N	412.446	3.927	5	3	HHBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(F)cc1	169321843	RBTFRNKAFXLRHY-OQLXKQOESA-N	403.413	3.747	5	1	HHBF	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1	587043660	SKBSQYQHIQCVNC-KRWDZBQOSA-N	416.434	3.897	5	1	HHBF	
O=[N+]([O-])c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12	587119613	ZIMLFHBOSNXJHJ-UHFFFAOYSA-N	404.146	3.692	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCn3nc([N+](=O)[O-])cc3C)c1)O2	587388395	AUFIZZWBZSBHHM-IBGZPJMESA-N	408.414	3.733	5	1	HHBF	
O=C(O)[C@@H]1CCC[C@H]1C[C@@]1(c2ccccc2[N+](=O)[O-])NCCc2nc3ccccn3c21	962983119	APNZFJUKQDRDMR-PXAQALGRSA-N	420.469	3.523	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586925082	FGJKQRFUZRJSGA-UHFFFAOYSA-N	423.731	3.751	5	1	HHBF	
Nc1ccc(-c2ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)cc1N	587264933	QLCPLFZLYKEFLL-UHFFFAOYSA-N	404.386	3.802	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	587745504	HKZXFQXXPLQQGC-HUTHGQBESA-N	423.238	3.907	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(-c3cc(Cl)cc(I)c3)[nH]c12	587185225	ZQNQRIPYQKLIMY-UHFFFAOYSA-N	400.563	3.791	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1	587266263	ZRSKGKUUFSVTMN-SECBINFHSA-N	417.349	3.660	5	1	HHBF	
CC(C)=CCC[C@@]1(C)Oc2cc(O)c3c(=O)c4ccc(O)cc4oc3c2[C@H](O)[C@@H]1O	169292364	COFDSERLUVMGOX-ACIOBRDBSA-N	412.438	3.649	5	1	HHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587264363	QTABXMUHWSZAJE-IWSPIJDZSA-N	405.760	3.775	5	1	HHBF	
COc1cc(OC[C@@H]2COC(=O)O2)cc2c1c(=O)c1cc3ccccc3cc1n2C	45245965	AABMKVVVRJULIT-MRXNPFEDSA-N	405.406	3.768	5	1	HHBF	
COC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Nc2ccccc2-c2ccnc3[nH]cc1c23	45374082	YRKCZRGFAVTARH-JOCHJYFZSA-N	400.394	3.980	5	1	HHBF	
COc1c(O)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587746293	MEHROEYJWMOCCL-VXJOIVPMSA-N	411.227	3.834	5	1	HHBF	
Cc1nn(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1[N+](=O)[O-]	586987895	ULYAHDUNAMNVLN-UHFFFAOYSA-N	400.394	3.922	5	1	HHBF	
CCCC[C@H](/C=C1/C[C@](CO)(COC(=O)c2ccc([N+](=O)[O-])cc2)OC1=O)CC	40915309	VVJHXKZXFGSSSC-XCJQDBAWSA-N	405.447	3.572	5	1	HHBF	
O=[N+]([O-])c1cc(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12	587119544	ZCUPTEUJQWYTPM-UHFFFAOYSA-N	404.146	3.692	5	1	HHBF	
O=C1COc2ccc(-c3[nH]c4cccc([N+](=O)[O-])c4c3C(=O)C(F)(F)F)cc2N1	587645289	OESNGJGVBQMCCT-UHFFFAOYSA-N	405.288	3.819	5	1	HHBF	
COc1cc(OC)cc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1	653849091	PGZHWLBOSGYXNG-UHFFFAOYSA-N	418.387	3.863	5	1	HHBF	
CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)s1	587022985	HHMKNAHZJHNNLI-UHFFFAOYSA-N	406.380	3.850	5	1	HHBF	
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-]	13560027	RMNVGONASFTVGC-UHFFFAOYSA-N	422.463	3.930	5	1	HHBF	
CSc1ccccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1	28898461	UVZVWLFSZNPMBS-UHFFFAOYSA-N	416.551	3.896	5	1	HHBF	
COP(=O)(OC)[C@@H](OC(=O)COc1cccc(F)c1)c1cccc([N+](=O)[O-])c1	35901560	AGKPWMDGQATYLR-QGZVFWFLSA-N	413.294	3.841	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o1)[C@@H](C2)C3=O	587430683	AUKFLLRDVYZESY-BTYIYWSLSA-N	409.398	3.547	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1nc([N+](=O)[O-])cc1C	587871579	KHIQJPMELJFHHO-INIZCTEOSA-N	401.398	3.793	5	1	HHBF	
COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587745196	GTXPAWNYTSMLRI-HUTHGQBESA-N	423.238	3.907	5	1	HHBF	
O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12	587024986	HNINUBHXRZVUTJ-UHFFFAOYSA-N	404.296	3.666	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	587871682	NFPKZMYTRVESDN-UHFFFAOYSA-N	400.322	3.593	5	1	HHBF	
Cc1cc(C2=C[C@@H](c3cccc([N+](=O)[O-])c3)N(C(=O)c3ccncc3)N2)ccc1O	103197734	ORLQUFGBFWXDCJ-FQEVSTJZSA-N	402.410	3.747	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc([N+](=O)[O-])c1Cl	586927694	VMUFIKNDLLAPTE-UHFFFAOYSA-N	420.756	3.609	5	1	HHBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2=O	587473406	UBSYENFGSDHPGG-OAQYLSRUSA-N	412.442	3.796	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587577653	UAUNGQAQAQKGBS-PXNSSMCTSA-N	408.322	3.912	5	1	HHBF	
O=C(COc1ccccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661118	MSVRKAAWFRGDMF-UHFFFAOYSA-N	419.368	3.830	5	1	HHBF	
COC(=O)c1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2c(F)c1Nc1ccccc1	587273369	HSSZGTGURILKPP-UHFFFAOYSA-N	424.392	3.694	5	1	HHBF	
C[C@@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575963	LOBHJDLKCZDFRG-KNQAVFIVSA-N	421.361	3.906	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744841	GBYVKGQKGNTJNZ-YPMLDQLKSA-N	423.238	3.553	5	1	HHBF	
CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@H]5O	253659843	JWNJXPKXYBPWQH-HERJAVJSSA-N	407.582	3.713	5	1	HHBF	
CS(=O)(=O)c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc([N+](=O)[O-])c1Cl	586924565	BZQZOBJURKMUCM-UHFFFAOYSA-N	421.649	3.897	5	1	HHBF	
CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1-n1nnn(-c2ccccc2Cl)c1=O	587645206	ZIRJEVHXOSVGIR-UHFFFAOYSA-N	412.837	3.759	5	1	HHBF	
O=C(/N=c1\[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)Nc1ccccc1[N+](=O)[O-]	28012270	CHILHPCHBJPUJF-UHFFFAOYSA-N	401.382	3.768	5	1	HHBF	
O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2cccc([N+](=O)[O-])c12	587645973	PCDAGZBPLPAIDJ-UHFFFAOYSA-N	422.178	3.975	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O	587433076	NDZHVVDFCWYQID-NYHFZMIOSA-N	406.394	3.891	5	1	HHBF	
C[N@@+]1(CCCF)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2	1772602041	ARMJUIHNEFCOOI-ACOKJQCSSA-N	412.525	3.965	5	1	HHBF	
COC(=O)c1cc(Cl)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1	587137166	RBYJYQBWSIPFOQ-UHFFFAOYSA-N	406.801	3.995	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12	587167271	KRVJRTSZVFMJRH-UHFFFAOYSA-N	419.419	3.535	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccc(OCn4nc([N+](=O)[O-])cc4C)cc1)[C@@H](C2)C3=O	587430222	FXABJGCCDVPKEV-HTAPYJJXSA-N	421.409	3.634	5	1	HHBF	
Cc1cccc(C)c1Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)NCC(C)C	40564880	DAMIJTGHIWNUMF-UHFFFAOYSA-N	420.491	3.599	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])cc2c1OCOC2	587575309	IYUZAEJYEIZIOB-PGRDOPGGSA-N	421.361	3.870	5	1	HHBF	
COC(=O)N1C(SC)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	96272071	LKMPQVKFYZRLGB-OAHLLOKOSA-N	407.448	3.663	5	1	HHBF	
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCN1CCOCC1)C2	473154662	JYEVOWRQOSGRPW-LJQANCHMSA-N	417.509	3.683	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587754084	XOUAMTNMERTNFG-VPTHRUTESA-N	405.227	3.996	5	1	HHBF	
COc1ccc(OC)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1OC	587792466	HUKXPUNMWNHHMN-UHFFFAOYSA-N	408.208	3.926	5	1	HHBF	
O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OC(F)(F)F)cc1	1857638251	FKBOZSKVVKDBIX-UHFFFAOYSA-N	423.391	3.888	5	1	HHBF	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1	24980987	SOFGQQQVQZQJFS-MRXNPFEDSA-N	417.531	3.792	5	1	HHBF	in-vivo
O=C(O)c1ccc(Cn2cc(-c3ccc(-c4cccc(O)c4)cc3)nn2)c([N+](=O)[O-])c1	84727874	GGLSETAIBBMJEC-UHFFFAOYSA-N	416.393	3.972	5	1	HHBF	
O=[N+]([O-])c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12	586959216	JRVBNUNMQQCQNY-DEOSSOPVSA-N	408.277	3.974	5	1	HHBF	
C[C@]1(COc2cccc(-c3ccc(F)cc3F)n2)CCn2cc([N+](=O)[O-])nc2O1	1772633447	ZYPNOCAZMHAWKD-LJQANCHMSA-N	402.357	3.752	5	1	HHBF	
COc1cc2ccc3cc(OC(C)=O)c(OC(C)=O)cc3c2c(OC(C)=O)c1OC	14650721	SANJTRZBUXXKLH-UHFFFAOYSA-N	412.394	3.786	5	1	HHBF	biogenic
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1	587511573	HVPJMEVCMZPKFK-HSZRJFAPSA-N	421.497	3.932	5	1	HHBF	
COc1cccc2c3c(cnc12)CCN[C@@]31COc2cc([N+](=O)[O-])ccc2SC1	963059275	QIZFUUMECCWZIM-OAQYLSRUSA-N	409.467	3.677	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C=O)c(O)c([N+](=O)[O-])c2)N1	587747915	STSNTWQWXXSWLB-ZKANADHPSA-N	409.211	3.638	5	1	HHBF	
COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O	587747926	QWNWHVIGEUANNB-WNWIJWBNSA-N	411.227	3.834	5	1	HHBF	
C[C@H]1CN(C(=O)CC2CCCCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1	1857618472	JMILRIMTJMHFKW-HNNXBMFYSA-N	404.536	3.795	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587750348	HTNBVVNQQGLSAV-NIVTXAMTSA-N	423.238	3.891	5	1	HHBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)CC1	963108314	OULOGHCBSOYXKN-FDDCHVKYSA-N	410.493	3.596	5	1	HHBF	
COC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1	28635264	JJMGVDUEBPUOGG-ZJSXRUAMSA-N	408.498	3.980	5	1	HHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587270428	XOYAIZZTUQEJQM-UHFFFAOYSA-N	421.163	3.533	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12	587576877	QAOVAKSYVXUZQN-DYESRHJHSA-N	403.350	3.880	5	1	HHBF	
COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587749185	XTTLQYDURBJEND-XYZCENFISA-N	423.238	3.907	5	1	HHBF	
CCOC(=O)[C@@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1cc([N+](=O)[O-])ccc12	100665552	WOSXQVHCZORUMF-ZCCVYIOPSA-N	406.460	3.960	5	1	HHBF	
CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccccc1[N+](=O)[O-])CCCC3	169686283	LLPKFYZXCQQVTR-ROUUACIJSA-N	408.458	3.868	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(F)cc(Br)c2[nH]1	587119065	WQINCNKUMKTLOF-UHFFFAOYSA-N	422.136	3.945	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1cccc([N+](=O)[O-])c1	587868738	QYYITFYVFVTKJQ-UHFFFAOYSA-N	421.335	3.633	5	1	HHBF	
O=C(N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1	199717442	JEKUORWLHYEPIY-GOSISDBHSA-N	401.850	3.559	5	3	HHBF	
C[C@@](O)(c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(F)(F)F	64548714	OYMRQWMCPFIIRM-CQSZACIVSA-N	409.769	3.851	5	1	HHBF	
COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1	221594366	FPLRCDJDIPDEFS-JTOYRKQZSA-N	415.449	3.616	5	1	HHBF	
COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC	586974147	BWBYTBVBZWACPS-MRXNPFEDSA-N	421.251	3.607	5	1	HHBF	
COc1c([N+](=O)[O-])ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O	587576865	PXOMDFDROUYFLX-JXFKEZNVSA-N	409.350	3.718	5	1	HHBF	
COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12	587648462	DXUREWZBMXTTAB-GFCCVEGCSA-N	403.435	3.977	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2C(=O)O)N1	587748077	SEXRKAWANMRFNH-ZKANADHPSA-N	409.211	3.818	5	1	HHBF	
CC(C)=CCC[C@]1(C)Oc2cc3oc4cc(O)ccc4c(=O)c3c(O)c2[C@H](O)[C@@H]1O	169292284	VBFDKVIOWWFFOQ-VABKMULXSA-N	412.438	3.649	5	1	HHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263360	LWFCZEWWTTTYOO-FKTZTGRPSA-N	400.660	3.639	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCCO2	587578322	WBTOLHGDLIOMKI-SIKLNZKXSA-N	421.361	3.775	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nc(-c3cc4ccccc4nc3N3CCOCC3)no2)cc1	1772614562	QHQPYBULOZLWGO-UHFFFAOYSA-N	403.398	3.697	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)nn1CC(F)(F)F	587091143	BOQXJXDFWLLOMO-UHFFFAOYSA-N	408.109	3.799	5	1	HHBF	
CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587223256	BBNWNOJJGACMCM-UHFFFAOYSA-N	417.809	3.623	5	1	HHBF	
COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12	587649377	TVKFBLABQMKGQM-LBPRGKRZSA-N	403.435	3.977	5	1	HHBF	
Cc1ccc(NC(=O)CSCCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	586970256	JSDVFQHCDSDQSP-UHFFFAOYSA-N	415.431	3.602	5	1	HHBF	
O=C(NCCc1c[nH]c2ccccc12)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1	653884558	AOFKRLHLJQSQAU-UHFFFAOYSA-N	406.486	3.647	5	1	HHBF	
CC(=O)Nc1cc(C)c(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)s1	28826956	FRLPUUILIGCJSG-UHFFFAOYSA-N	400.445	3.756	5	1	HHBF	
Nc1ncc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(-c2ccccc2Cl)n1	587061279	UHWBHTBTPQXMHL-UHFFFAOYSA-N	411.765	3.739	5	1	HHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	49088243	UIIANYIDJXJZMR-NRFANRHFSA-N	422.437	3.746	5	1	HHBF	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587041458	BZTWUKHHEHHUOC-CQSZACIVSA-N	419.806	3.688	5	1	HHBF	
O=[N+]([O-])c1ccc(Cc2nc3ccc(I)cc3[nH]2)c([N+](=O)[O-])c1	587264652	OYIHOCZZNFXQNJ-UHFFFAOYSA-N	424.154	3.575	5	1	HHBF	
COc1cc(O)c2c(=O)c3c(OC=CC(C)C)c(OC)c(OC)c(O)c3oc2c1	2356653647	NRUJCMSCVVQZOF-UHFFFAOYSA-N	402.399	3.932	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)nn1CC(F)(F)F	587092186	NRBQMNCFXFFBDD-UHFFFAOYSA-N	413.319	3.993	5	1	HHBF	
Cc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1[N+](=O)[O-]	587112851	FFBDKHWMKDFDCH-UHFFFAOYSA-N	403.324	3.500	5	1	HHBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	962973278	JTGUJGHBBGEKPT-SJCJKPOMSA-N	407.760	3.696	5	1	HHBF	
Cn1c(=O)nc2n(-c3cccc4cc5ccccc5cc34)c3ccccc3nc-2c1=O	13755541	VLNSXBWEWLDIIM-UHFFFAOYSA-N	404.429	3.891	5	1	HHBF	
COC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1	28635269	JJMGVDUEBPUOGG-XUZZJYLKSA-N	408.498	3.980	5	1	HHBF	
COc1cccc2c3c(cnc12)CCN[C@]31COc2cc([N+](=O)[O-])ccc2SC1	963059274	QIZFUUMECCWZIM-NRFANRHFSA-N	409.467	3.677	5	1	HHBF	
O=C(N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1	199717455	JEKUORWLHYEPIY-SFHVURJKSA-N	401.850	3.559	5	3	HHBF	
Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(F)cc(C2C3CC4CC(C3)CC2C4)c1O	29479495	MSZILWMSIQRIMB-HOFLUKCYSA-N	401.438	3.794	5	1	HHBF	
Cc1cc(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12	587092564	ROWNYWCILFAGLF-UHFFFAOYSA-N	404.146	3.968	5	1	HHBF	
Nc1ncc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cn1	587255013	VDDMECJOHXMETH-UHFFFAOYSA-N	411.219	3.940	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587273746	LBPFJWFXUPHLNE-UHFFFAOYSA-N	404.146	3.806	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1O[C@H]3C[C@H]1CO	29336073	NVSJOASGKCGXBZ-FEJSSTPCSA-N	423.428	3.826	5	1	HHBF	
Nc1ncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1[N+](=O)[O-]	587267675	DAMAZOBDLGCYAW-UHFFFAOYSA-N	402.130	3.897	5	1	HHBF	
CN1C(=O)c2c(c3c4ccccc4n(C[C@@H](O)CO)c3c3cc4ccccc4cc23)C1=O	28477806	ZHCVRYJIKJFALH-MRXNPFEDSA-N	424.456	3.680	5	1	HHBF	
COc1nccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587118463	NGSPRYXFYFRVAR-UHFFFAOYSA-N	418.335	3.805	5	1	HHBF	
Ic1nccnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1	587186676	OGZNOJXPYKLDPK-UHFFFAOYSA-N	424.205	3.721	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587264406	RHIYRWISMPLDMA-SECBINFHSA-N	418.337	3.870	5	1	HHBF	
COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12	587648463	DXUREWZBMXTTAB-LBPRGKRZSA-N	403.435	3.977	5	1	HHBF	
O=C(Cn1c(=O)oc2ccc(C(=O)c3ccc(F)cc3)cc21)c1ccc([N+](=O)[O-])cc1	1645302	HYMAOOQZQWFHLP-UHFFFAOYSA-N	420.352	3.756	5	1	HHBF	
Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc([N+](=O)[O-])cnc3[nH]1)N2	587031106	LOWRBWGXLWKUGV-TXEUWIOXSA-N	416.488	3.993	5	1	HHBF	
Cc1ccc2c(ccc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c32)n1	587265837	HNUSAHFDRNXCCG-ADLMAVQZSA-N	422.401	3.770	5	1	HHBF	
CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	40938785	NFYQXZKSAPIOMI-MRXNPFEDSA-N	404.785	3.654	5	1	HHBF	
NS(=O)(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1	587272601	WAEFMHAIIKKFEN-UHFFFAOYSA-N	410.411	3.578	5	1	HHBF	
COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748730	YDZGMNFUEDVETK-PWJLMRLQSA-N	411.227	3.834	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587753364	VJMYKADUAXGOLM-DYBLOJMWSA-N	405.223	3.861	5	1	HHBF	
CN1C(=O)C[C@@H]2CN[C@H](c3cc(F)c(Br)cc3[N+](=O)[O-])c3cccc1c32	963023189	LLOFWTHGGGDTMY-LZVRBXCZSA-N	420.238	3.639	5	1	HHBF	
O=C(c1ccccc1)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1	587268799	ARYFBOOGUXQFCW-UHFFFAOYSA-N	410.393	3.950	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C\c2ccccc2[N+](=O)[O-])N2CCC1CC2	587390563	ROCYEUIYQWDJJC-NWKGEQBZSA-N	405.454	3.956	5	1	HHBF	
CC1(C)C=Cc2c(c(O)cc3oc4c5c(cc(O)c4c(=O)c23)O[C@@H](CO)C5(C)C)O1	1772578709	HHYIUZRFZMOKDE-HNNXBMFYSA-N	410.422	3.573	5	1	HHBF	
CC1(C)C=Cc2c(c([C@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1	14768887	MDJODYOPXIPBEH-RXVVDRJESA-N	410.422	3.752	5	1	HHBF	biogenic
Cc1onc(C(=O)N2CCCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-]	73280241	XSAMWZKQTXQYBR-UHFFFAOYSA-N	420.469	3.829	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(Br)cc1F)[C@@H](C2)C3=O	587424351	NNKHLGSKKGEISL-BTDLBPIBSA-N	408.179	3.994	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(N)cc([N+](=O)[O-])c1	587862993	OUPSPZGTSHVLMI-UHFFFAOYSA-N	406.320	3.756	5	1	HHBF	
O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)N1	962973282	JTGUJGHBBGEKPT-YVEFUNNKSA-N	407.760	3.696	5	1	HHBF	
CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N(C)C	4205028	BZIIUHIROJSEOV-IEBWSBKVSA-N	417.849	3.827	5	1	HHBF	
CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CCNCC1)O2	39318377	WUBOPBYZSXVHBH-UHFFFAOYSA-N	415.339	3.637	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)OC)cc2[nH]1	587263734	NYVWYYJEPKZKQM-LLVKDONJSA-N	413.386	3.609	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc([N+](=O)[O-])c21	587391723	XSVSISXZGARHJM-HSZRJFAPSA-N	400.390	3.939	5	1	HHBF	
CCOC(=O)CCOCCCOCCc1nc2c3cccnc3c3ncccc3c2[nH]1	587570721	XIXCTSMFRIATPM-UHFFFAOYSA-N	422.485	3.578	5	1	HHBF	
COc1ccc(C=O)c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c1OC	587785599	CWJZPLBWAZNZGU-UHFFFAOYSA-N	406.192	3.730	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(C(F)(F)F)cc3)c1)C2	66263135	INVISNUJFNRVRQ-INIZCTEOSA-N	420.347	3.850	5	1	HHBF	
Cc1cccc([C@@H]2CC(=O)N(Cc3cccnc3)[C@H](c3ccc(O)cc3)[C@H]2[N+](=O)[O-])c1	13521544	MKAMQGNYEYHIKP-QTJGBDASSA-N	417.465	3.998	5	1	HHBF	
COC(=O)c1ccc([N+](=O)[O-])c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1	587745511	HKZXFQXXPLQQGC-XYZCENFISA-N	423.238	3.907	5	1	HHBF	
CCCCC[C@H](C(=O)OC)[C@@H](O)c1cccc2nc3c(C(=O)OC)cccc3nc12	2356797433	NXJCUNHZZLXCNH-KKSFZXQISA-N	410.470	3.973	5	1	HHBF	
CNC(=O)NCCCn1ccc2c(C(=O)OC)c3nc4ccccc4c3c(C)c2c1	136550948	HTSFZIXTNKDGCS-UHFFFAOYSA-N	404.470	3.757	5	1	HHBF	
CC[C@@H](C)n1ncc(I)c1-c1nc2cc([N+](=O)[O-])ccc2[nH]1	587181637	XZTPLPUBHQHVFA-MRVPVSSYSA-N	411.203	3.910	5	1	HHBF	
CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]1)(C3)C2	587951359	TVNBHWGBHNQLMB-ORMMXULVSA-N	400.391	3.533	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1C[C@H](CO)CC3	14945610	MWZYWTLBRIPMSY-GFCCVEGCSA-N	409.445	3.867	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)nc1)C2	653722469	NYFKJKHVUJQZES-CQSZACIVSA-N	406.320	3.712	5	1	HHBF	
O=C(Nc1ccccc1[N+](=O)[O-])N[C@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O	199718025	RZPYGHZHIVBDNL-KRWDZBQOSA-N	416.865	3.951	5	3	HHBF	
NCC1CCC(CNc2nc(NCCCCc3ccccc3)ncc2[N+](=O)[O-])CC1	28898785	NZDNZFDJXBYRBZ-UHFFFAOYSA-N	412.538	3.997	5	1	HHBF	
COc1cc(OC)c(/C=C/[S@](=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1	84597144	LYQIIQSDPIJKQU-UWSNOUECSA-N	407.444	3.549	5	1	HHBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)nc1C(F)(F)F	587118585	PKWVSCNLSCHFAM-UHFFFAOYSA-N	423.742	3.797	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	587573086	BALDVQUMKPWAJJ-NQIIRXRSSA-N	407.334	3.732	5	1	HHBF	
CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2	1863808	RFEFWUFWVXXAPJ-QGZVFWFLSA-N	408.414	3.736	5	1	HHBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(N(C)C)CN1C3	72113335	LWABWEIXJKCMFO-MRXNPFEDSA-N	421.541	3.885	5	1	HHBF	
Cc1c2ccccc2nc2c1c1cc(NC(=O)CN(C)C)ccc1n2CCN(C)C	84741295	SHBMUPAWMNNIJG-UHFFFAOYSA-N	403.530	3.713	5	1	HHBF	
COc1ccc(C[C@@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)cc1	1857534629	OAFHICDFMDIUQI-KRWDZBQOSA-N	414.458	3.841	5	1	HHBF	
CCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1	39285987	DLCJSLAKWSVTCY-GOSISDBHSA-N	402.447	3.736	5	1	HHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2C=CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	49088242	JCTRWHCGIWSFAF-YLJYHZDGSA-N	412.442	3.655	5	1	HHBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587264370	QTABXMUHWSZAJE-VGMNWLOBSA-N	405.760	3.775	5	1	HHBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587661588	RMSBYHCXZXSUBB-UHFFFAOYSA-N	401.357	3.976	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C	587871160	BUOHVQVYUBAZIN-LBPRGKRZSA-N	415.425	3.786	5	1	HHBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1ccc([N+](=O)[O-])n1	587859774	IGXCDVDTZBPEKN-UHFFFAOYSA-N	410.217	3.701	5	1	HHBF	
O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1	1772610662	PGOXSKIZECWIDL-UHFFFAOYSA-N	403.507	3.899	5	1	HHBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cc(F)c2[nH]1	587263866	HEMXIRAYZYVJHD-NXSYQRQQSA-N	409.761	3.706	5	1	HHBF	
CC(C)Oc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br	587273497	CIHKSXFDOIOVSN-UHFFFAOYSA-N	408.256	3.850	5	1	HHBF	
Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c1	15935115	YYDPHDADJRUNKK-HXUWFJFHSA-N	424.501	3.913	5	3	HHBF	
Cc1cc2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2cc1[N+](=O)[O-]	587185830	OKGXMEIMWWTHKT-LBPRGKRZSA-N	422.226	3.627	5	1	HHBF	
O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1	72177137	XCHXNTRTVYFKPT-HNENSFHCSA-N	413.861	3.945	5	1	HHBF	
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1	653847525	PIVBJVWKUZNPMZ-UHFFFAOYSA-N	409.273	3.906	5	1	HHBF	
NC(=O)c1cc(N2CCC(c3nc4cnc5ccccc5c4[nH]3)CC2)ccc1[N+](=O)[O-]	587263074	KIAHVHOINXTDAV-UHFFFAOYSA-N	416.441	3.502	5	1	HHBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)nc1C(F)(F)F	587118128	KGTIWZHWVMOZPY-UHFFFAOYSA-N	406.299	3.936	5	1	HHBF	
CCOC(=O)c1cc2cc3c(cc2nc1NC(=O)Nc1ccc([N+](=O)[O-])cc1)OCO3	84668907	OFXKMTZEWHHLKK-UHFFFAOYSA-N	424.369	3.692	5	1	HHBF	
COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1	169321807	FPLRCDJDIPDEFS-GBEXAXCTSA-N	415.449	3.616	5	1	HHBF	
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c([C@]3(C)NCCc4nc5ccccn5c43)c2)C1	962989503	RAWKQWBWHZUKSG-MWTRTKDXSA-N	405.502	3.888	5	1	HHBF	
Cc1cc([N+](=O)[O-])nn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587341059	IPEGRVPGMWCUEK-PZJWPPBQSA-N	411.389	3.762	5	1	HHBF	
COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1	587743833	BXPNVAODRARBLK-HUTHGQBESA-N	423.238	3.907	5	1	HHBF	
C[C@@]1(COc2cccc(-c3ccc(F)cc3F)n2)CCn2cc([N+](=O)[O-])nc2O1	1772633446	ZYPNOCAZMHAWKD-IBGZPJMESA-N	402.357	3.752	5	1	HHBF	
CN1CCN(c2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)CC1	587109869	OVPDSDWNGGGVSR-UHFFFAOYSA-N	419.407	3.833	5	1	HHBF	
Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1[N+](=O)[O-]	587267280	IBFANLORPBSBEJ-UHFFFAOYSA-N	405.414	3.771	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc([N+](=O)[O-])cc1	587868502	NIXHEJBYNCQORX-UHFFFAOYSA-N	406.320	3.764	5	1	HHBF	
O=C(c1ccccc1)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1	586920390	PFMRZEYEWUSNBS-UHFFFAOYSA-N	421.434	3.676	5	1	HHBF	
O=C(Nc1ncc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1	96269773	YQONVVWDOUUEGH-UHFFFAOYSA-N	408.421	3.862	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1nccn1C)O2	587374686	IXMVKYDFXNOVBO-FQEVSTJZSA-N	412.833	3.781	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c([N+](=O)[O-])cccc21	587391737	YAZYFPXEZAYWIH-HSZRJFAPSA-N	400.390	3.939	5	1	HHBF	
O=C(Cc1ccccc1[N+](=O)[O-])n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660627	IBGFYRZMIYRRNM-UHFFFAOYSA-N	403.369	3.994	5	1	HHBF	
COC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587744737	FJRQSVYTDODPDA-FVMDXXJSSA-N	423.238	3.907	5	1	HHBF	
Nc1ncc(-c2nc3cc(Br)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587268420	WXTDLCKDXNLMAJ-UHFFFAOYSA-N	413.029	3.640	5	1	HHBF	
NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	13878875	OZIZUOSOUDCYTE-FQEVSTJZSA-N	418.453	3.553	5	3	HHBF	
O=c1c2ccccc2nc(-c2ccccc2)n1NCCNc1ccc([N+](=O)[O-])cc1	103172254	YVTODPQOZWCMOO-UHFFFAOYSA-N	401.426	3.627	5	1	HHBF	
COc1cc2c(cc1O)oc(=O)c1c2c(C=O)c2c3cc(OC)c(O)cc3ccn21	138057251	SOVZXUOTBSDZHB-UHFFFAOYSA-N	405.362	3.593	5	1	HHBF	
COC(=O)[C@@H]1C(C(C)C)=NC(=O)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	169730092	ODEUVICSUAVJHG-GDBMZVCRSA-N	405.407	3.503	5	1	HHBF	
COc1cccc2c(=O)c3c(OC[C@H]4CS4)cc(OC[C@@H]4CS4)cc3oc12	198496305	JKMAGCYHUGRTJH-OLZOCXBDSA-N	402.493	3.943	5	1	HHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587159789	YTPFRPBKDMZPBD-UHFFFAOYSA-N	411.143	3.860	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)nn2)c1	587270680	YPCLEFZISLBBJS-UHFFFAOYSA-N	408.381	3.815	5	1	HHBF	
COc1cccc2c1CC[C@H](N1CCCC1)[C@H]2N(C)C(=O)Cc1ccccc1[N+](=O)[O-]	27845752	TZWXHRRJBAYSQH-URXFXBBRSA-N	423.513	3.756	5	1	HHBF	
O=C(NCCCN1CCOCC1)c1cc2c3cccc(Cl)c3[nH]c2c2ncccc12	43062327	JHBIXZYLDUDOLX-UHFFFAOYSA-N	422.916	3.975	5	1	HHBF	
N[C@@H](CCc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587270549	MYTRJCBVMQZZDR-ZDUSSCGKSA-N	408.245	3.677	5	1	HHBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1	587273693	FQBYHOSTSKYCPT-UHFFFAOYSA-N	406.118	3.533	5	1	HHBF	
O=C(NCC1CCCCC1)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134697	JRCZVELVGBUPBJ-UHFFFAOYSA-N	409.490	3.962	5	1	HHBF	
COc1ccc(Nc2ncnc3cc(OC(C)C)c4c(c23)OCCO4)cc1[N+](=O)[O-]	653874508	FPTALKMKVJRZRL-UHFFFAOYSA-N	412.402	3.849	5	1	HHBF	
O=C(CN1CCCC1)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	49783963	YHMBQJOVILGZDZ-UHFFFAOYSA-N	411.465	3.517	5	1	HHBF	
CC(=O)N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	587205488	BEBNQKPWUSZEDL-HNNXBMFYSA-N	417.263	3.962	5	1	HHBF	
CC[C@@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc([N+](=O)[O-])cn1	587863216	VHKOWEVOYPDNAB-HNNXBMFYSA-N	423.351	3.974	5	1	HHBF	
COc1cccc2oc3cc(OCCCCCCO[N+](=O)[O-])cc(O)c3c(=O)c12	1857752272	YOFCVSURHREGNL-UHFFFAOYSA-N	403.387	3.808	5	1	HHBF	
CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC1CCCC1	775520	DBOJEGMLPACWLB-UHFFFAOYSA-N	401.419	3.948	5	1	HHBF	
CCCC[C@@H](c1ccncc1)n1[nH]c(=O)c2nc3cc(Cl)ccc3c(O)c2c1=O	13553702	MPEDBZJPDXRPGZ-INIZCTEOSA-N	410.861	3.772	5	1	HHBF	
CCOC(=O)C1=C(C)NC(SCC)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	148375831	GODISNLWEDTPGJ-MRXNPFEDSA-N	420.487	3.647	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc([N+](=O)[O-])c2[nH]1	587058067	ZZZHJIFAHHXXEC-CQSZACIVSA-N	418.797	3.555	5	1	HHBF	
COc1cc([N+](=O)[O-])c([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1Cl	962765150	MDYYLVPTHBPAGZ-CZUORRHYSA-N	414.767	3.992	5	1	HHBF	
CCc1cc(O)nc(SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)n1	586967333	XVILVSCZVIZCPY-UHFFFAOYSA-N	410.253	3.584	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)cc2[nH]1	587117526	TYKJDVFZHHKUPP-UHFFFAOYSA-N	404.146	3.806	5	1	HHBF	
COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C2	587245903	AUAIZFHYCROZAZ-GOSISDBHSA-N	417.263	3.585	5	1	HHBF	
C[C@H]1CCCN(c2ccc([N+](=O)[O-])c([C@]3(C)NCCc4nc5ccccn5c43)c2)C1	962989501	RAWKQWBWHZUKSG-HJPURHCSSA-N	405.502	3.888	5	1	HHBF	
C[C@@H]1CN(C(=O)CC2CCCCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1	1857618473	JMILRIMTJMHFKW-OAHLLOKOSA-N	404.536	3.795	5	1	HHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1	169723553	WHUYBWWQPAXKBJ-HKUYNNGSSA-N	412.398	3.553	5	1	HHBF	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(C2CC2)n1	587231715	FRQUJKIVEGFMFM-UHFFFAOYSA-N	410.434	3.830	5	1	HHBF	
Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	586941467	UCULEBVYXFOJTN-VOTSOKGWSA-N	406.851	3.523	5	1	HHBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1	587273480	BHXSMSMLYPTULD-UHFFFAOYSA-N	406.118	3.533	5	1	HHBF	
COc1ccc(CN2C[C@@H]3CCC[N@+]4([O-])CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1	299811225	RKZMAOCKVVYHIY-JJCHBBGLSA-N	402.535	3.638	5	1	HHBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587055944	RLUQKGDUKDZADU-AWEZNQCLSA-N	418.797	3.555	5	1	HHBF	
COc1ccc(-n2c(-c3cc(OC)c(OC)c(OC)c3)csc2=O)cc1[N+](=O)[O-]	45245342	AOLKBFVLOSQIRY-UHFFFAOYSA-N	418.427	3.509	5	1	HHBF	
COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c(O)c1	299840861	ZQGRKIOAZJITGH-SFHVURJKSA-N	411.417	3.866	5	1	HHBF	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2C1	587034966	QSGGEZADVQVEAP-UHFFFAOYSA-N	401.448	3.888	5	1	HHBF	
C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587576982	QNETYDJUOQFNQY-PGRDOPGGSA-N	405.362	3.904	5	1	HHBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCN(N(C)C)CN1C3	72112363	LWABWEIXJKCMFO-INIZCTEOSA-N	421.541	3.885	5	1	HHBF	
COc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1	587261216	ZCHSNIXVANNSPY-UHFFFAOYSA-N	423.179	3.826	5	1	HHBF	
CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc12	587264711	KABJXMXSLZRURW-UHFFFAOYSA-N	412.427	3.648	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)/C(=C/c2ccccc2[N+](=O)[O-])N2CCC1CC2	587390562	ROCYEUIYQWDJJC-JUTHHCEFSA-N	405.454	3.956	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c([N+](=O)[O-])cc(Br)cc31)O2	587374364	XGDIOXMMKDHADG-GOSISDBHSA-N	419.231	3.891	5	1	HHBF	
CC[C@@H]1C[N@+]2(CCCC3(C)N=N3)[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@H]1[C@H]3[C@@H]5O	253659849	JWNJXPKXYBPWQH-YMMXIDFKSA-N	407.582	3.713	5	1	HHBF	
COc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587261142	VYTWYVVSFXAQCH-UHFFFAOYSA-N	405.414	3.987	5	1	HHBF	
Nc1ncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	587268338	RYNSNTZYNVROEU-UHFFFAOYSA-N	418.129	3.776	5	1	HHBF	
CCCCCCn1c(O)c(C(=O)NCC[N+](CC)(CC)CC)c(=O)c2ccccc21	6472167	XXJLTPMJNSHXQV-UHFFFAOYSA-O	416.586	3.894	5	1	HHBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148961	BGFGCDZOJAGIKD-GJZGRUSLSA-N	409.490	3.674	5	1	HHBF	
CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587577557	SQEHMTILNVODSU-UGKGYDQZSA-N	420.377	3.962	5	1	HHBF	
CN1C(=O)C[C@H]2CN[C@@H](c3ccc(OC(F)(F)F)c([N+](=O)[O-])c3)c3cccc1c32	963028302	MATJRQWRUQKQLM-VOJFVSQTSA-N	407.348	3.636	5	1	HHBF	
O=C1COc2ccc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3C(=O)C(F)(F)F)cc2N1	587645456	VXJHMHFJCZNFBV-UHFFFAOYSA-N	405.288	3.819	5	1	HHBF	
O=C(c1ccccc1)c1c(-c2ccccc2)nn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1O	1663156	PAUTWNUDQXSEGI-UHFFFAOYSA-N	413.389	3.744	5	1	HHBF	
CCN(CC)C(=O)c1ccc2c(c1)c1ccccc1c(=O)n2CCCC(=O)N(C)C	169328403	GBXDWUPZXUENSM-UHFFFAOYSA-N	407.514	3.505	5	1	HHBF	
Cc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(Br)cc1[N+](=O)[O-]	586979951	LAUIPPDGABEEQK-UHFFFAOYSA-N	403.192	3.540	5	1	HHBF	
CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587577556	SQEHMTILNVODSU-SIKLNZKXSA-N	420.377	3.962	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587752628	SLJGVNDDAMTPPS-XLFHBGCDSA-N	423.238	3.987	5	1	HHBF	
CCCC[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1	72180147	POOYYDWBMWNHSE-DZGCQCFKSA-N	414.384	3.972	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(=O)OC)c2[nH]1	587264815	TWTLYAXQNFJWAK-LLVKDONJSA-N	413.386	3.609	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1	587266266	ZRSKGKUUFSVTMN-VIFPVBQESA-N	417.349	3.660	5	1	HHBF	
COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c(F)c1Nc1ccccc1	587275154	WZTGPJFGXOJRFQ-UHFFFAOYSA-N	410.365	3.541	5	1	HHBF	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc([N+](=O)[O-])ccc1N)[C@@H](C2)C3=O	587431415	DYEQUQAKVHQRMG-FDDCHVKYSA-N	402.406	3.877	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2	653726518	GCGGEVHAFARLJN-AWEZNQCLSA-N	422.319	3.592	5	1	HHBF	
CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Br)cc1	586985607	QCOBMXBQCNIHIH-CYBMUJFWSA-N	421.226	3.793	5	1	HHBF	
CC(C)NC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	775328	FUSDJOUTSAKGJN-UHFFFAOYSA-N	413.361	3.923	5	1	HHBF	
COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)O[C@H]2C=CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723516	FBNLROVTWWRYAA-NLWGTHIKSA-N	412.442	3.868	5	1	HHBF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587431475	FNZPARPKVTZAII-SBUREZEXSA-N	402.406	3.877	5	1	HHBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1	1857570902	XSSJDHVUDMYIMJ-AWEZNQCLSA-N	424.482	3.884	5	1	HHBF	
CN(C)CCCN(C)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23	95575943	FSNPZUVJTKGPOV-UHFFFAOYSA-N	411.509	3.889	5	1	HHBF	
CN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)S(=O)(=O)c1ccc(F)cc1	587171411	ZDBQXKWJOUWXAA-UHFFFAOYSA-N	421.457	3.619	5	1	HHBF	
O=C(O)[C@@H]1CCC[C@H]1C[C@]1(c2ccccc2[N+](=O)[O-])NCCc2nc3ccccn3c21	962983117	APNZFJUKQDRDMR-NXHTTZLHSA-N	420.469	3.523	5	1	HHBF	
CC[C@@H](CO)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ncn(C(C)C)c2c1	61949038	QYAWNUPCMVUZOM-INIZCTEOSA-N	412.446	3.927	5	3	HHBF	
COc1cc(OC)c2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2c1	587270612	WQTLWOCYKSRYEP-UHFFFAOYSA-N	410.430	3.508	5	1	HHBF	
CN(C)c1ccc(N2C(=O)CN(Cc3ccc(F)cc3[N+](=O)[O-])C2=S)cc1Cl	1857643626	GFVNPNAJMUJVHK-UHFFFAOYSA-N	422.869	3.587	5	1	HHBF	
COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1OC)[C@H](O)[C@@H]1CCC[N+]1([O-])C3	85949676	YVKYBZICLJKMQQ-UJWKWBPRSA-N	411.454	3.748	5	1	HHBF	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1	299840704	YVLKZDGETCKFNH-UHFFFAOYSA-N	405.476	3.658	5	1	HHBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(=O)c3ccc([N+](=O)[O-])cc3)cn1C)O2	587391257	UABACJRWNDUGBF-HXUWFJFHSA-N	405.410	3.761	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])ccc1O	587863073	QAWIATNLZMYOSS-UHFFFAOYSA-N	407.304	3.880	5	1	HHBF	
COC1=C[C@H]2CC[C@@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1	45256537	WYGAYLIPQHONKL-GHNFSYLKSA-N	410.474	3.526	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2	72126026	BPIFZYPBBJCUGD-AWEZNQCLSA-N	406.320	3.712	5	1	HHBF	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587576412	OKCRFSOHAKPDSG-VQTJNVASSA-N	407.378	3.882	5	1	HHBF	
C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587576980	QNETYDJUOQFNQY-AVRDEDQJSA-N	405.362	3.904	5	1	HHBF	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149350	LEJQJTPYRTZNMQ-GJZGRUSLSA-N	409.490	3.992	5	1	HHBF	
O=C(c1cc(N2CCCCC2)ccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O	587653509	XQJNTAMAQHGIRM-UHFFFAOYSA-N	412.833	3.637	5	1	HHBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587743969	CCPXKASDFHPURW-XTZNXHDOSA-N	423.238	3.553	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587867908	DUGVPSCXFPVFRM-UHFFFAOYSA-N	409.280	3.778	5	1	HHBF	
CCCSC[C@](O)(C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(F)(F)F	28085691	RQXYJQNTRHMCOU-LBPRGKRZSA-N	420.331	3.989	5	1	HHBF	
CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12	587648268	AWBCYXPTXCVCBT-GFCCVEGCSA-N	403.435	3.977	5	1	HHBF	
O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587657377	VAFXUHSARJUUHD-UHFFFAOYSA-N	407.332	3.938	5	1	HHBF	
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCC/C=C\CCCCCCCC(=O)O	96094905	HXMYXBDOFWDFBU-CNRGFGOASA-O	400.536	3.621	5	1	HHBF	in-vitro
CNCCc1c(Br)c(O)c(OC)c2c1ccc1cc(O)c(OC)cc12	103170567	PFWPUFBKEGTGHR-UHFFFAOYSA-N	406.276	3.946	5	1	HHBF	
CC(C)Oc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1	586924636	DGDIHPYSYGKIQL-UHFFFAOYSA-N	409.851	3.982	5	1	HHBF	
CC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	198851989	ROAASNQMKDEPLP-UHFFFAOYSA-N	417.487	3.658	5	1	HHBF	
COC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-]	587511299	OUJJYRMNGJWZLE-HXUWFJFHSA-N	411.410	3.732	5	1	HHBF	
O=[N+]([O-])c1ccc2c(N3CCNCC3)c(-c3ccc(Br)cc3)[nH]c2c1	587643509	FYECSECTGZBRBE-UHFFFAOYSA-N	401.264	3.915	5	1	HHBF	
O=C(CNc1cccc([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660657	IOCUTJSIXYNSKK-UHFFFAOYSA-N	418.384	3.863	5	1	HHBF	
CC1=Nc2cc(=O)[nH]c(=S)n2[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(\O)OC(C)C	101945591	CUGWHLMDECMHTQ-IBOXJLQUSA-N	402.432	3.704	5	1	HHBF	
CCCCN(c1ccccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	474609730	UCNSYYPVFMXZEU-UHFFFAOYSA-N	409.420	3.507	5	1	HHBF	
C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc2c(O)nc(O)nc2n1	587562579	GGGCKBYDBDKYDX-NSHDSACASA-N	401.378	3.836	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc([N+](=O)[O-])cc23)N1	587748925	BQVRYPWORZTYHW-PWJLMRLQSA-N	405.227	3.996	5	1	HHBF	
Cc1ccccc1NC(=O)Nc1ccc(OC[C@@]2(C)Cn3cc([N+](=O)[O-])nc3O2)cc1	653796373	BHELEIXQDNWRJZ-OAQYLSRUSA-N	423.429	3.974	5	1	HHBF	
C[C@H]1CN(CCCn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1	27517257	SSWKMYAPMFQZNI-GJZGRUSLSA-N	411.462	3.683	5	1	HHBF	
Nc1ccc(-c2ccc(-c3cn(Cc4ccc(C(=O)O)cc4[N+](=O)[O-])nn3)cc2)cc1	84653564	UELXVNSQOCVNFH-UHFFFAOYSA-N	415.409	3.849	5	1	HHBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	169722814	VXCGEYIUZXUVAV-IEBWSBKVSA-N	402.447	3.950	5	1	HHBF	
NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cc(F)c4[nH]3)CC2)ccc1[N+](=O)[O-]	587263617	WZLRUVWXHUHWHA-UHFFFAOYSA-N	417.828	3.747	5	1	HHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	587268481	ZWQBJFVDLHUCSG-UHFFFAOYSA-N	404.299	3.888	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587577652	UAUNGQAQAQKGBS-FXAWDEMLSA-N	408.322	3.912	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	587577989	VINLHTGEAIMOAI-JXFKEZNVSA-N	424.321	3.617	5	1	HHBF	
C[C@@]1(COc2ccc(-c3ccc(F)cc3F)cn2)CCn2cc([N+](=O)[O-])nc2O1	1772632140	PXOQSDPMDFOLTP-IBGZPJMESA-N	402.357	3.752	5	1	HHBF	
Nc1ccc2[nH]c(-c3cc(CC(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2n1	14953807	BVBGZXXLVHYBKI-UHFFFAOYSA-N	404.382	3.720	5	1	HHBF	in-vivo
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587001996	VRIPVKPWNQJSJJ-ZDUSSCGKSA-N	400.236	3.957	5	1	HHBF	
Cc1cc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1[N+](=O)[O-]	587078790	BISFSHSPOLXDSO-UHFFFAOYSA-N	417.769	3.549	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)c(F)c2[nH]1	587119168	ZQRSRDSVJFEYIF-UHFFFAOYSA-N	422.136	3.945	5	1	HHBF	
COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cc([N+](=O)[O-])c3[nH]1)C2	587245904	AUAIZFHYCROZAZ-SFHVURJKSA-N	417.263	3.585	5	1	HHBF	
COC(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587578274	VRZPSWAWIDJAMO-LAUBAEHRSA-N	421.361	3.790	5	1	HHBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	587747470	OBEVUALHCKYCMK-MLCYQJTMSA-N	407.239	3.863	5	1	HHBF	
COc1cc2c[n+](C)c3c4cc5c(cc4c(CC(C)=O)cc3c2cc1OC)OCO5	34086330	VSDFTWNENOTFMG-UHFFFAOYSA-N	404.442	3.848	5	1	HHBF	
Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)c1	35997404	XDKDRKQXCXAISG-UHFFFAOYSA-N	412.475	3.535	5	1	HHBF	
Cc1cc2c(O)nc(CNC(=S)SCc3ccc([N+](=O)[O-])cc3)nc2s1	1857760168	MCYAKJHPXMPREC-UHFFFAOYSA-N	406.514	3.921	5	1	HHBF	
CC(=O)N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(C)cc1	587207807	WNYJBPWYEWJCQR-CQSZACIVSA-N	417.263	3.962	5	1	HHBF	
CCN(CC)c1ccc2c(c1)OC(=O)[C@H](c1nnc(-c3ccc([N+](=O)[O-])cc3)o1)C2	5582948	RFEFWUFWVXXAPJ-KRWDZBQOSA-N	408.414	3.736	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2nc(Cl)c[nH]c-2n1	587055278	OEVFGSGCLZORIA-GFCCVEGCSA-N	409.233	3.647	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc([N+](=O)[O-])cc12	587574652	GEDPSSBJBNDYCD-UGKGYDQZSA-N	405.362	3.940	5	1	HHBF	
Nc1cc([N+](=O)[O-])ccc1[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963175654	HDUQJYFPIQJGEF-IUODEOHRSA-N	415.755	3.538	5	1	HHBF	
COc1ccc(CN2CCC(CCN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)cc1	3814218	RRVRQLRWRWDWBM-UHFFFAOYSA-N	423.469	3.502	5	1	HHBF	
CCCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1	29484648	UOAYHICWJSTYNF-UHFFFAOYSA-N	416.500	3.598	5	1	HHBF	
O=[N+]([O-])c1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Cl	586920660	PIROFCFCTJIKRL-UHFFFAOYSA-N	405.863	3.630	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587431520	GAGIHGHLRTYTJP-XOBRGWDASA-N	407.382	3.618	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@H](O)CCC3	43023832	DIOSBQOHTUDCSB-CYBMUJFWSA-N	409.445	3.941	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCc1ccc(OCc3ccccc3)cc1)C2	72124593	DBBNUQNGDIKGIP-FQEVSTJZSA-N	409.442	3.781	5	1	HHBF	
CC1=NC(=O)N(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]1C(=O)OC(C)C	169730101	IWJIBGYBGASQKY-HOTGVXAUSA-N	405.407	3.645	5	1	HHBF	
COc1c([N+](=O)[O-])ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O	587576868	PXOMDFDROUYFLX-OXJNMPFZSA-N	409.350	3.718	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@@H]1O[C@H]3C[C@@H]1CO	3784268	NVSJOASGKCGXBZ-SYLNULQMSA-N	423.428	3.826	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3cc([N+](=O)[O-])ccc23)N1	587752874	UCICFOAXWYPURY-CQLKUDPESA-N	405.227	3.996	5	1	HHBF	
O=C1C[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1cccnc1	26496508	HODQQHIDWRQCIM-MZYLBHOOSA-N	403.438	3.690	5	1	HHBF	
O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc([N+](=O)[O-])cc2)n2ccccc12	136906455	IKUDHYPWDMXYTH-UHFFFAOYSA-N	400.394	3.655	5	1	HHBF	
O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1ccc2cc3ccccc3cc2c1	1772569820	JZFGNIVEEVIOIY-NRFANRHFSA-N	423.428	3.831	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(OCc3ccccc3)c2[nH]1	587263714	CRLIGAGYEMIJJF-INIZCTEOSA-N	404.426	3.998	5	1	HHBF	
CCOC(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1	587269132	GTRNGSIPFMGDPC-UHFFFAOYSA-N	422.441	3.668	5	1	HHBF	
Cc1cc2occ(/C=C(/c3ccc([N+](=O)[O-])cc3)c3nnn[nH]3)c(=O)c2cc1Cl	40974602	DOVAHFWMZUNBPB-AUWJEWJLSA-N	409.789	3.765	5	1	HHBF	
C[C@]1(c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575960	LOBHJDLKCZDFRG-DENIHFKCSA-N	421.361	3.906	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751416	MGBIPXGQGSHVSN-LZVRBXCZSA-N	405.223	3.861	5	1	HHBF	
O=[N+]([O-])c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1[N+](=O)[O-]	587008650	ZYTMGXWERZKYTG-UHFFFAOYSA-N	403.152	3.685	5	1	HHBF	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)(C)C	587203206	DDXDMAVDKPEBCE-CQSZACIVSA-N	407.427	3.861	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o1)[C@@H](C2)C3=O	587430684	AUKFLLRDVYZESY-YCRPNKLZSA-N	409.398	3.547	5	1	HHBF	
CC1(C)C=Cc2c(c(O)cc3oc4c5c(cc(O)c4c(=O)c23)O[C@H](CO)C5(C)C)O1	1772578710	HHYIUZRFZMOKDE-OAHLLOKOSA-N	410.422	3.573	5	1	HHBF	
COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587644036	LJSGLTSQCUHSAF-UHFFFAOYSA-N	403.188	3.861	5	1	HHBF	
CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12	587648269	AWBCYXPTXCVCBT-LBPRGKRZSA-N	403.435	3.977	5	1	HHBF	
COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O	587745526	JTAHBLYTHQLFHL-VPTHRUTESA-N	411.227	3.834	5	1	HHBF	
COC(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747600	OZMJVSRHUFRSBE-JDNHERCYSA-N	423.238	3.907	5	1	HHBF	
O=C1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)N1Cc1ccccc1	26967460	AAHHHTVBTAPASH-UHFFFAOYSA-N	423.450	3.502	5	1	HHBF	
O=C(CSc1nc2c([N+](=O)[O-])cccc2[nH]1)Nc1cc(C(=O)O)ccc1Cl	103181457	DRQXYGFBNZSYPT-UHFFFAOYSA-N	406.807	3.554	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(OCn4nc([N+](=O)[O-])cc4C)cc1)[C@@H](C2)C3=O	587430223	FXABJGCCDVPKEV-JTSKRJEESA-N	421.409	3.634	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587431518	GAGIHGHLRTYTJP-VBKZILBWSA-N	407.382	3.618	5	1	HHBF	
O=[N+]([O-])c1ccc(-n2ncc3c(O)nc(-c4ccc(Cl)cc4)nc32)c([N+](=O)[O-])c1	45260743	UAWJLJWGRVLLJS-UHFFFAOYSA-N	412.749	3.658	5	1	HHBF	
CC[C@H](C)n1ncc(I)c1-c1nc2cc([N+](=O)[O-])ccc2[nH]1	587181638	XZTPLPUBHQHVFA-QMMMGPOBSA-N	411.203	3.910	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cccc(OCn4nc([N+](=O)[O-])cc4C)c1)[C@@H](C2)C3=O	587432251	VHABTMZURGQDDK-JTSKRJEESA-N	421.409	3.634	5	1	HHBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1	587649474	VQZAQWIVPFNUBH-CPNJWEJPSA-N	419.441	3.588	5	1	HHBF	
COc1ccc([C@H]2CC(Nc3nc4ccc([N+](=O)[O-])cc4s3)=NN2C(C)=O)cc1	45257409	XXJORWRFOBWAIU-MRXNPFEDSA-N	411.443	3.932	5	1	HHBF	
Cc1ccc(NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)cc1	103293508	RTLLAPSQFWABAB-UHFFFAOYSA-N	407.857	3.756	5	1	HHBF	
C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587576981	QNETYDJUOQFNQY-GCJKJVERSA-N	405.362	3.904	5	1	HHBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587746150	JHLNMWJTJPIGOQ-YPMLDQLKSA-N	407.239	3.863	5	1	HHBF	
C[C@]1(CCc2ccccc2[N+](=O)[O-])N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21	962636161	PFNQZUDMNNKLRQ-AUUYWEPGSA-N	424.375	3.940	5	1	HHBF	
Cc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587126279	XAVRUMDLJDDJNG-UHFFFAOYSA-N	400.338	3.708	5	1	HHBF	
Cc1cc2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2cc1[N+](=O)[O-]	587185825	OKGXMEIMWWTHKT-GFCCVEGCSA-N	422.226	3.627	5	1	HHBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1	587262852	YZDKTNPHQXMNOS-UHFFFAOYSA-N	420.219	3.862	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(F)c4[nH]3)nn2)c1	587269304	KNRBYODDTZAGRD-UHFFFAOYSA-N	403.171	3.620	5	1	HHBF	
CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)c([N+](=O)[O-])c1	29479490	CPNHMAXYZFPNEM-UHFFFAOYSA-N	400.748	3.521	5	1	HHBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573368	BJCKDMOTSNUKFZ-LAUBAEHRSA-N	409.350	3.718	5	1	HHBF	
O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587655913	DKRRMBNCVLRJMJ-UHFFFAOYSA-N	407.332	3.938	5	1	HHBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C[C@]1(O)CCCN1C3	14824795	LFODCKPGVPYOQF-XMMPIXPASA-N	409.482	3.868	5	1	HHBF	biogenic
COc1cc2c(cc1OC)C[N@@+](C)(CCCCCCc1cccc(OC)[n+]1C)CC2	299844509	BLEMVENWQNSXTK-MHZLTWQESA-N	414.590	3.843	5	1	HHBF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1	586950252	SKDZKYQAXIXDIN-UHFFFAOYSA-N	409.427	3.642	5	1	HHBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc([N+](=O)[O-])cc12	587576881	QAOVAKSYVXUZQN-UTKZUKDTSA-N	403.350	3.880	5	1	HHBF	
COc1ccc(/C=C/S(=O)(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]	96908614	GMHKSTATTWCPPH-SNAWJCMRSA-N	424.303	3.712	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cn1)C2	115605542	AMDZXSOAYLNZSB-CQSZACIVSA-N	422.319	3.592	5	1	HHBF	
O=[N+]([O-])c1cnc(N[C@@H](CO)Cc2ccccc2)nc1Nc1ccc2ncsc2c1	64553712	RADWHZKVMJXLJZ-OAHLLOKOSA-N	422.470	3.754	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751441	MJSSTVRCTDTLIJ-NIVTXAMTSA-N	405.223	3.861	5	1	HHBF	
CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C[N+](=O)[O-])CC[C@@H]12	49069616	PUYSMDPTBAQFLL-AJBNAHFZSA-N	422.547	3.580	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1	587183494	CYCWPMKRAHIWRJ-UHFFFAOYSA-N	400.563	3.791	5	1	HHBF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2Oc2ccc([N+](=O)[O-])cc21	962926388	BXSJITNVFRSLFK-DEOSSOPVSA-N	415.449	3.840	5	1	HHBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)cc1	40380137	AAOLZGDIONWLEW-UHFFFAOYSA-N	408.439	3.794	5	1	HHBF	
CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587577555	SQEHMTILNVODSU-KNQAVFIVSA-N	420.377	3.962	5	1	HHBF	
CCCCNc1ccc([C@@H](CC(N)=O)NC(=O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-]	15937521	LAHIRSUTQJCNOK-LJQANCHMSA-N	412.490	3.770	5	3	HHBF	
Cc1cc(Cl)cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12	587264907	QCSACSCVPAZYGJ-JDNHERCYSA-N	405.798	3.875	5	1	HHBF	
CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC3	169686290	RUOMRVIJJPUZCT-QZTJIDSGSA-N	408.458	3.868	5	1	HHBF	
COc1ccc([C@]2(Cn3cc([N+](=O)[O-])nc3C)NCCc3ccc(F)c(C)c32)cc1	962297750	KXFCAUJZFIUARP-QFIPXVFZSA-N	410.449	3.645	5	1	HHBF	
COc1ccc(-c2cc(Cn3cc(-c4ccc([N+](=O)[O-])cc4)nn3)on2)cc1OC	1857767282	UZZOCEPPIRBZTB-UHFFFAOYSA-N	407.386	3.574	5	1	HHBF	
O=C(O)c1cccnc1SCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586966348	BZGQBGNCAZIZKC-UHFFFAOYSA-N	409.221	3.619	5	1	HHBF	
Cc1ccccc1CN1CCCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	66156403	MYXDVMGDQLOFDW-HSZRJFAPSA-N	422.529	3.607	5	1	HHBF	
CC(C)=CCc1c(O)cc2oc3cc(O)c4c(c3c(=O)c2c1O)C[C@@H](C(C)(C)O)O4	95099300	MWJTZEZNHBWDNU-KRWDZBQOSA-N	412.438	3.646	5	1	HHBF	biogenic,in-vitro
CCCC[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1	72180146	POOYYDWBMWNHSE-ZFWWWQNUSA-N	414.384	3.972	5	1	HHBF	
CCCC[C@H](CC)CNC(=O)CCCCCO[P@](=O)(O)OCC[N+](C)(C)C	28651090	OKEJQLGGVNVOIB-SFHVURJKSA-O	409.528	3.719	5	1	HHBF	
Cc1c(-c2ccc3c(O)nc(O)nc3n2)c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]	587552651	BFYSZBHPMRVIHN-UHFFFAOYSA-N	413.390	3.834	5	1	HHBF	
O=[N+]([O-])c1ccc(OCc2nc3ccc(I)cc3[nH]2)cc1F	587149496	UAHRUCITMOHWJD-UHFFFAOYSA-N	413.146	3.794	5	1	HHBF	
COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O	587748732	YDZGMNFUEDVETK-VPTHRUTESA-N	411.227	3.834	5	1	HHBF	
CCC[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1	72178046	NCSKRMZUQPZLDL-GXTWGEPZSA-N	400.357	3.582	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1	587274837	UOHACVVUAINTMJ-UHFFFAOYSA-N	408.256	3.822	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587748898	BKJRGIBFGYUANB-HUTHGQBESA-N	423.238	3.987	5	1	HHBF	
COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])[C@@]1(C)NCCc2c(OC)ccc(Cl)c21	963259785	UPVGRCNALFIMBN-FFXXTYGZSA-N	416.861	3.874	5	1	HHBF	
COc1ccccc1NC(=O)c1c(N)cccc1[S@@](=O)c1ccc([N+](=O)[O-])cc1	1772570964	RLPYZPHXEXUCSV-LJAQVGFWSA-N	411.439	3.605	5	1	HHBF	
COc1cc2c(cc1NCCN1CCOCC1)ncc1c(N)nc3c(C)cccc3c12	28825062	UXWHUEVYQQNDOE-UHFFFAOYSA-N	417.513	3.580	5	1	HHBF	
CC[C@@H]1C[N+]2([O-])CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC	29562035	KXNRITUKNSFMGJ-CUKABGIGSA-N	414.502	3.838	5	1	HHBF	
CCN(CC)C[C@@H](O)Cc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12	45337313	OMFNMKXTPRQYGE-HNNXBMFYSA-N	413.474	3.559	5	1	HHBF	
O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587167292	LOPLGIMERDQNHS-AWEZNQCLSA-N	414.353	3.887	5	1	HHBF	
Nc1ncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587268145	LWUBGXVAOHVRAB-UHFFFAOYSA-N	418.129	3.776	5	1	HHBF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O	587430238	GAFOVOHSACYZCI-BXKMTCNYSA-N	413.385	3.839	5	1	HHBF	
CCOC(=O)c1nnn(-c2ccc(Cl)cc2[N+](=O)[O-])c1-c1ccc([N+](=O)[O-])cc1	40872283	LMSBWUMVFGCJNV-UHFFFAOYSA-N	417.765	3.581	5	1	HHBF	
COC1=C[C@H]2CC[C@](Cc3cc([N+](=O)[O-])ccc3OC)(c3cn(C)c(N)n3)[C@H]2C=C1	45256540	WYGAYLIPQHONKL-JVJLVOBOSA-N	410.474	3.526	5	1	HHBF	
COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1O	587747925	QWNWHVIGEUANNB-RBHXEPJQSA-N	411.227	3.834	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cc2[N+](=O)[O-])OCCO3)N1	587750346	HTNBVVNQQGLSAV-LZVRBXCZSA-N	423.238	3.891	5	1	HHBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-]	587859586	FVWPITXMOKMNOL-UHFFFAOYSA-N	424.244	3.894	5	1	HHBF	
CC(C)(C)OC(=O)N1CCN(C(=S)S[C@H](C[N+](=O)[O-])c2ccccc2)CC1	1857651999	YSMCRBPKEUNJIF-OAHLLOKOSA-N	411.549	3.575	5	1	HHBF	
CCN(CC)CCn1[nH]c2c3cc(OC)cc(OC)c3nc3c([N+](=O)[O-])ccc1c32	27527057	JKFKBEXTOVPBLS-UHFFFAOYSA-N	411.462	3.938	5	1	HHBF	
COc1cc(-c2cc(/C=C3\C(=O)Nc4ccc([N+](=O)[O-])cc43)[nH]n2)cc(OC)c1OC	299863673	LJCNPKWIDMFSJN-NVNXTCNLSA-N	422.397	3.503	5	1	HHBF	
COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccccc4[N+](=O)[O-])N4CCC1CC4)[C@@H](C2)C3=O	587434630	XGPNFCLOBSRKRS-QZYLSLPRSA-N	418.449	3.856	5	1	HHBF	
Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1[N+](=O)[O-]	587748480	VBFOXETYHZWLDT-HUTHGQBESA-N	411.275	3.759	5	1	HHBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(OC(F)(F)F)c2[nH]1	587117090	GTZFCIZAKROFIB-UHFFFAOYSA-N	409.246	3.942	5	1	HHBF	
O=C1c2ccc(O)cc2O[C@](CO)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1	587331663	FCQLMYZNZHNULW-IFMALSPDSA-N	409.369	3.686	5	1	HHBF	
O=C1NC(=O)c2c1c1c3cc(F)c(F)cc3[nH]c1c1c2c2cccc3c2n1CCNC3	14945561	NYQTTXRFPWWPJR-UHFFFAOYSA-N	416.387	3.694	5	1	HHBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1	587267013	RTVBIOOMYKXDKZ-ZETCQYMHSA-N	407.184	3.710	5	1	HHBF	
COc1c(O)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587574963	HKPQGFQIQJTTDX-OXQOHEQNSA-N	409.350	3.718	5	1	HHBF	
O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c(=Nc3ccc(O)c([N+](=O)[O-])c3)c2c1	1857636238	WUFWITFQSRNLLX-UHFFFAOYSA-N	403.354	3.984	5	1	HHBF	
O=[N+]([O-])c1cccc(CN2[C@H](COCc3ccccc3)CCC=CS2(=O)=O)c1	13831018	MYIOMOCVTRFSNP-FQEVSTJZSA-N	402.472	3.620	5	1	HHBF	
COCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134343	HXHCHPRAKPVYIC-UHFFFAOYSA-N	413.478	3.563	5	1	HHBF	
Cc1cc(Cl)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c12	587264906	QCSACSCVPAZYGJ-FVMDXXJSSA-N	405.798	3.875	5	1	HHBF	
CCS(=O)(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1	587270313	VIBUJJRFEIZYQG-UHFFFAOYSA-N	408.439	3.994	5	1	HHBF	
COC(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747599	OZMJVSRHUFRSBE-FVMDXXJSSA-N	423.238	3.907	5	1	HHBF	
O=C(c1cccc(Cl)c1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12	587277074	YPNXAWVLVDITNI-UHFFFAOYSA-N	411.595	3.875	5	1	HHBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1nc([N+](=O)[O-])cc1C	587871580	KHIQJPMELJFHHO-MRXNPFEDSA-N	401.398	3.793	5	1	HHBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(N2CCCCC2)ncc1F	587946681	YUSVFTQNSNGIHP-CYBMUJFWSA-N	407.446	3.532	5	1	HHBF	
COC(=O)[C@H](c1cccc2nc3c(C(=O)O)cccc3nc12)[C@H](O)CCCC(C)C	40976800	ONEYDSBBYZVTOT-RTBURBONSA-N	410.470	3.925	5	1	HHBF	biogenic
COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc([N+](=O)[O-])c1O)[C@@H](C2)C3=O	587414880	YCEUQQNPNWWUEY-DYZYQPBXSA-N	406.188	3.560	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1OC)[C@@H](C2)C3=O	587433077	NDZHVVDFCWYQID-OYHNWAKOSA-N	406.394	3.891	5	1	HHBF	
COc1ccccc1N1CCN(CCn2c(=O)c3ccccc3c3ccccc32)CC1	13776799	JZYLJOUKSDSDKA-UHFFFAOYSA-N	413.521	3.986	5	1	HHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587264358	QTABXMUHWSZAJE-HLTSFMKQSA-N	405.760	3.775	5	1	HHBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587268758	DFNPSPADAFHJBF-UHFFFAOYSA-N	421.163	3.533	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751442	MJSSTVRCTDTLIJ-YYSFKGJASA-N	405.223	3.861	5	1	HHBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	169722816	VXCGEYIUZXUVAV-PKOBYXMFSA-N	402.447	3.950	5	1	HHBF	
COc1ccc(S(=O)(=O)Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586921063	WFYGSILXJPXNAJ-UHFFFAOYSA-N	404.451	3.642	5	1	HHBF	
Cc1cc(=O)c(Oc2ccc([N+](=O)[O-])cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1	13581205	ZFAKGXCOCAOOIN-UHFFFAOYSA-N	401.396	3.719	5	1	HHBF	
Nc1ccc(-c2ccc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3c2)cc1N	587091240	COCALOOSKGJQFB-UHFFFAOYSA-N	417.351	3.728	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744838	GBYVKGQKGNTJNZ-MGNBDDOMSA-N	423.238	3.553	5	1	HHBF	
Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2Oc2ccc([N+](=O)[O-])cc21	963513113	YJHRRMGWCHEEDP-MBSDFSHPSA-N	418.405	3.605	5	1	HHBF	
O=C(/N=c1\[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1)Nc1cccc([N+](=O)[O-])c1	27996928	UWWSHWYGPGHZRQ-UHFFFAOYSA-N	401.382	3.768	5	1	HHBF	
CC(C)C(=O)Nc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O	103199936	MRERSKFRCDQXFA-UHFFFAOYSA-N	403.482	3.745	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1	587003015	ZXYWTXIISLHOPM-OWOJBTEDSA-N	403.192	3.570	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1	587168208	VHIVWYUEYVIYAW-UHFFFAOYSA-N	419.419	3.535	5	1	HHBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCC1CCCCC1	82082840	UIRCWNWOPZDSNW-CYBMUJFWSA-N	416.503	3.533	5	1	HHBF	
COP(=O)(OC)[C@H](OC(=O)COc1ccccc1F)c1cccc([N+](=O)[O-])c1	103220854	QCAAWFUEOFZUKO-KRWDZBQOSA-N	413.294	3.841	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)nn1CC(F)(F)F	587092583	RWOMQMPNAPPYLU-UHFFFAOYSA-N	408.109	3.799	5	1	HHBF	
COCCNc1ccc(-c2nc3c(C)c(Br)cnc3[nH]2)cc1[N+](=O)[O-]	587262493	VAPQWZUHLXBWOM-UHFFFAOYSA-N	406.240	3.662	5	1	HHBF	
COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])[C@]1(C)NCCc2c(OC)ccc(Cl)c21	963259786	UPVGRCNALFIMBN-MQGIHEMASA-N	416.861	3.874	5	1	HHBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587158789	JBVJRSRPKDHXCH-UHFFFAOYSA-N	411.143	3.860	5	1	HHBF	
CC1(C)C=Cc2c(c([C@@H](O)[C@@H]3OC3(C)C)c3oc4ccc(O)cc4c(=O)c3c2O)O1	14768884	MDJODYOPXIPBEH-NQIIRXRSSA-N	410.422	3.752	5	1	HHBF	biogenic
COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	72108645	JEMJYLUWMAFVPA-PMACEKPBSA-N	413.430	3.684	5	1	HHBF	
Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1Cl	586968857	XAKMTYLEEAIZLN-UHFFFAOYSA-N	401.839	3.701	5	1	HHBF	
CC(C)(C)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2n1	587262506	BCELXJUJIXSJLQ-UHFFFAOYSA-N	422.489	3.647	5	1	HHBF	
COc1ccc(-c2nnsc2-c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]	28820924	UFKMSDLOWIVJOA-UHFFFAOYSA-N	403.416	3.815	5	1	HHBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nccc4[nH]3)cc2)nc1C(F)(F)F	587117961	HYTKCGCARXXXSI-UHFFFAOYSA-N	404.308	3.502	5	1	HHBF	
O=[N+]([O-])c1cc(N[C@H]2CCN(Cc3cccc(OC(F)(F)F)c3)C2)ccc1CO	1857773631	DOAGFBGRCSVVBV-INIZCTEOSA-N	411.380	3.672	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@@H](O)[C@H](CCC(C)C)C(=O)OC)cccc3nc12	2356805564	ZWDLNJITQHGPIV-HRAATJIYSA-N	410.470	3.828	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(OCc3ccccc3)cc2[nH]1	587264547	NLPJZUGTOBDDLO-KRWDZBQOSA-N	404.426	3.998	5	1	HHBF	
CS(=O)(=O)NC(=O)c1cc(Oc2ccc([C](F)F)cc2Cl)ccc1[N+](=O)[O-]	100045033	OTTBZDQWUNGHBQ-UHFFFAOYSA-N	419.769	3.506	5	1	HHBF	
Cc1cc(Cl)cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c12	587264905	QCSACSCVPAZYGJ-ABKXIKBNSA-N	405.798	3.875	5	1	HHBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587745676	IDKXPLRWUKUHHH-BBATYDOGSA-N	409.255	3.921	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc3c2OCOC3)N1	587748901	BKJRGIBFGYUANB-XYZCENFISA-N	423.238	3.987	5	1	HHBF	
COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCC(C)C)cccc3nc12	40954323	LKJADGCHDSZYKE-RBUKOAKNSA-N	410.470	3.623	5	1	HHBF	biogenic
COc1cc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)ccc1[N+](=O)[O-]	587263105	LTXKOKBKMHHULZ-UHFFFAOYSA-N	413.615	3.870	5	1	HHBF	
Cc1nc(NCc2ccc(C(F)(F)F)cc2F)nc(-n2ccnc2C)c1[N+](=O)[O-]	28821421	FVGAISCJBQAUCC-UHFFFAOYSA-N	410.331	3.957	5	1	HHBF	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149377	RBHZTANLBMBQMW-HZPDHXFCSA-N	409.490	3.770	5	1	HHBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc(Cl)c2[nH]1	587265261	NORBBMZJENBCIQ-JTQLQIEISA-N	411.643	3.835	5	1	HHBF	
O[C@H]1[C@H](O)CO[C@@H](n2c3ccccc3c3ccc4c5cc(Cl)ccc5[nH]c4c32)[C@@H]1O	38512998	SYACLHGRMBPYAS-YJSIEXFISA-N	422.868	3.694	5	1	HHBF	
COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587417915	FREHTWGKNGJUHG-RNODOKPDSA-N	416.817	3.792	5	1	HHBF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586984373	JXNDROKOSYPXOZ-HNNXBMFYSA-N	421.226	3.793	5	1	HHBF	
COc1cc2c3c(cc4cc(OC)c(O)c(OC)c4c3c1)N(CCCN(C)C)C2=O	27102715	SJFVILLOJVALLI-UHFFFAOYSA-N	410.470	3.636	5	1	HHBF	
O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCCOc1ccc([N+](=O)[O-])cc1	28570332	ZZMJLUQOJIUUIE-UHFFFAOYSA-N	422.441	3.628	5	1	HHBF	
NCC1CCC(CNc2nc(NCc3ccc(Cl)cc3)ncc2[N+](=O)[O-])CC1	28898367	LGIWSQQYQRPBQH-UHFFFAOYSA-N	404.902	3.827	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)nc1)C2	72125837	OCQWBUIMDQDJBG-AWEZNQCLSA-N	422.319	3.592	5	1	HHBF	
O=[N+]([O-])c1cncc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12	586985682	ZGZSZOFQVZEVEW-MRXNPFEDSA-N	402.252	3.814	5	1	HHBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587267515	LSRJCEKIMNLJNV-UHFFFAOYSA-N	409.200	3.510	5	1	HHBF	
COc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c([N+](=O)[O-])c1	587260953	MPLWZMXGTMOZJU-UHFFFAOYSA-N	423.179	3.826	5	1	HHBF	
COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587424317	NIYKODYPWSPXEO-BTDLBPIBSA-N	408.179	3.994	5	1	HHBF	
O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1cccc(I)c1	299857057	DRMAJJZCTMJTMU-UHFFFAOYSA-N	421.194	3.770	5	1	HHBF	
N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587079649	JVGMKZLHLFHBDO-LLVKDONJSA-N	400.782	3.757	5	1	HHBF	
CCOC(=O)Cc1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1	587137014	OQVPYMOAQSPXKF-UHFFFAOYSA-N	400.410	3.661	5	1	HHBF	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1	587230858	KFWPYTZVYITNTF-UHFFFAOYSA-N	418.413	3.755	5	1	HHBF	
Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc([N+](=O)[O-])c4)cc3)ccc12	1857537602	HZUIZIMBKPSMMN-UHFFFAOYSA-N	403.414	3.924	5	1	HHBF	
COC(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587744741	FJRQSVYTDODPDA-XXFAHNHDSA-N	423.238	3.907	5	1	HHBF	
O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccc(Br)cc3)N=C3N=CNN32)c1	2914528	ICCOBLFCYKSGTC-HZPDHXFCSA-N	400.236	3.748	5	1	HHBF	
COc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cn1	587118916	RPDUYUCTZHHFLC-UHFFFAOYSA-N	418.335	3.805	5	1	HHBF	
COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587745200	GTXPAWNYTSMLRI-XLFHBGCDSA-N	423.238	3.907	5	1	HHBF	
C[C@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@@]1=O	1772632741	FTUGETCIOLTCQV-OLILMLBXSA-N	413.455	3.680	5	1	HHBF	
O=[N+]([O-])c1ccc(CSc2nn(Cc3ccc([N+](=O)[O-])cc3)cc3ncnc2-3)cc1	1652369	ZQWMMOGZRVXEEP-UHFFFAOYSA-N	422.426	3.935	5	1	HHBF	
O=C1CC=C(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1	587163173	HTWPEZIQLVCFIK-UHFFFAOYSA-N	401.785	3.542	5	1	HHBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2[N+](=O)[O-])(C(=O)O)N1	587744840	GBYVKGQKGNTJNZ-XTZNXHDOSA-N	423.238	3.553	5	1	HHBF	
O=[N+]([O-])c1cc2c(c([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)c1)OCOC2	961319493	IRDOQIZZEWEVRU-QGZVFWFLSA-N	417.259	3.992	5	1	HHBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1	587262233	GMRUAVYEKHVJGN-YPMLDQLKSA-N	413.390	3.546	5	1	HHBF	
CSc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1	587267463	ZMLUFCUBGMWAFR-FVMDXXJSSA-N	403.420	3.635	5	1	HHBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)c3c([N+](=O)[O-])cccc32)N1	587751415	MGBIPXGQGSHVSN-DYBLOJMWSA-N	405.223	3.861	5	1	HHBF	
C(CCCCCN1CC[N+]2(CCCC2)CC1)CCCCN1CC[N+]2(CCCC2)CC1	29464581	CXHNJRAQDFNQHG-UHFFFAOYSA-N	420.730	3.960	5	1	HHBF	
O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1	586966171	IOESUFBPEYPXJE-UHFFFAOYSA-N	407.459	3.676	5	1	HHBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1	586972197	DYARCENNIHHSJG-UHFFFAOYSA-N	406.489	3.534	5	1	HHBF	
N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587258800	DHWNQRLMUXTSBX-AWEZNQCLSA-N	417.853	3.831	5	1	HHBF	
COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587577713	UFYYNGAVTUIWDM-PGRDOPGGSA-N	423.377	3.892	5	1	HHBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(N)c2c1	587621109	ONIXVIICCUZBIY-UHFFFAOYSA-N	418.475	3.765	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1	587863284	XFOPQGGYWWAVQH-NSHDSACASA-N	423.351	3.659	5	1	HHBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(I)c1	587180534	UHYWBKDCSOQCAW-UHFFFAOYSA-N	413.146	3.890	5	1	HHBF	
Cc1c(F)c(C)c(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1F	653857065	YVCXIHVVYPEYGI-UHFFFAOYSA-N	422.407	3.633	5	1	HHBF	
CCCC[C@@H](CC)CNC(=O)CCCCCO[P@](=O)(O)OCC[N+](C)(C)C	28651086	OKEJQLGGVNVOIB-GOSISDBHSA-O	409.528	3.719	5	1	HHBF	
O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cn1)C2	115609093	KKUKKUOZYLQOMW-LBPRGKRZSA-N	420.347	3.960	5	1	HHBF	
COCCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cccc(C)c3nc12	299863777	LLJLRNMPQFDAOA-UHFFFAOYSA-N	416.481	3.785	5	1	HHBF	
COc1cc(C2C3CC4CC(C3)CC2C4)c(O)c([C@@H](O)c2ncc([N+](=O)[O-])n2C)c1	29480271	XWBGHGYYCLBLJR-KXERKUHQSA-N	413.474	3.664	5	1	HHBF	
CCN(CC)C[C@H](O)Cc1c2ccc([N+](=O)[O-])cc2nc2cc(OC)c(OC)cc12	45337311	OMFNMKXTPRQYGE-OAHLLOKOSA-N	413.474	3.559	5	1	HHBF	
O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1	587000104	MBOJIPRZGMIUIM-UHFFFAOYSA-N	402.160	3.713	5	1	HHBF	
COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(Br)cc1F)[C@@H](C2)C3=O	587424354	NNKHLGSKKGEISL-DYZYQPBXSA-N	408.179	3.994	5	1	HHBF	
O=[N+]([O-])c1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)c1	653849108	XUQSBMTVDUKBFA-UHFFFAOYSA-N	403.332	3.754	5	1	HHBF	
CC(C)OCCCNC(=O)[C@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1	82195690	CDZAKIGCSUFQFT-GOSISDBHSA-N	418.519	3.618	5	1	HHBF	
O=c1nc2n(-c3ccc(Cl)cc3)c3c(Br)cccc3cc-2c(=O)[nH]1	96286459	RTONMUYJMUVBKY-UHFFFAOYSA-N	402.635	3.595	5	1	HHBF	
CC(C)(C)OC(=O)NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCC(=O)CC1	587235232	IEWJFZFRTBBUGY-UHFFFAOYSA-N	408.842	3.988	5	1	HHBF	
CC[C@H](OC)[C@@H]1CCC[C@@H]2[C@@H]3C(=CCC[N@+]12[O-])OC(=C1OC(=O)C(C)=C1OC)[C@@H]3C	2356311700	AZADMFYAIAVDAJ-LBBXMZCKSA-N	419.518	3.906	5	1	HHBF	
O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H]1CCCCN(Cc2ccc(Cl)cc2)C1=O	199718003	RZPYGHZHIVBDNL-QGZVFWFLSA-N	416.865	3.951	5	3	HHBF	
Cc1nc(SCCN(C)C)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)OC(C)C	29314824	SEBMCSXQEZAGIM-UHFFFAOYSA-N	404.492	3.579	5	1	HHBF	
CCCOc1cc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2cc1Br	587259129	ALSVGBOGWXKQDJ-WOPDTQHZSA-N	424.295	3.775	5	1	HHBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587745245	GZMUIWLSSJEXFQ-VOJFVSQTSA-N	409.255	3.921	5	1	HHBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	587862466	AVXZFOXFEJTTAR-JTQLQIEISA-N	409.324	3.584	5	1	HHBF	
O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(Cl)cc4)nn3)s2)o1	82157119	PDLYTDKZRXNVLF-UHFFFAOYSA-N	417.838	3.612	5	1	HHBF	
NCCOCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	95584832	CVZQUZQEFXUALQ-UHFFFAOYSA-N	414.245	3.508	5	1	HHBF	
O=C(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1cccc([N+](=O)[O-])c1	96922650	PXYTXLTWTHSBDP-UHFFFAOYSA-N	407.411	3.975	5	1	HHBF	
Cc1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587126251	WNEQPQTUTSFTEQ-UHFFFAOYSA-N	400.338	3.708	5	1	HHBF	
CC[C@H](C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC)n1cc([N+](=O)[O-])cn1	587863220	VHKOWEVOYPDNAB-OAHLLOKOSA-N	423.351	3.974	5	1	HHBF	
O=c1cnn(-c2ccc(-c3ccc4oc5ccc(Cl)cc5c(=O)c4c3)cc2)c(=O)[nH]1	25963315	AXNYGOALTATYES-UHFFFAOYSA-N	417.808	3.501	5	1	HHBF	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135561	GPPPLTKPYMQGEK-GASCZTMLSA-N	409.490	3.992	5	1	HHBF	
CCOC(=O)[C@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1cc([N+](=O)[O-])ccc12	100665555	WOSXQVHCZORUMF-PEHAOLQFSA-N	406.460	3.960	5	1	HHBF	
O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1)c1cccs1	587019354	LBHRQWKNAJWKNI-UHFFFAOYSA-N	403.420	3.971	5	1	HHBF	
COCCOC(O)=C1C(C)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	2356813598	FXLASALIDJKUIQ-IBGZPJMESA-N	418.446	3.811	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(-c3cc(I)ccc3Cl)[nH]c12	587182056	CTHPRRCNYAVEOO-UHFFFAOYSA-N	400.563	3.791	5	1	HHBF	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)F	587381946	IXOYXYQMRSWKEY-HNNXBMFYSA-N	408.357	3.844	5	1	HHBF	
CN1C(=O)C[C@H]2CN[C@H](c3cc(F)c(Br)cc3[N+](=O)[O-])c3cccc1c32	963023191	LLOFWTHGGGDTMY-YYSFKGJASA-N	420.238	3.639	5	1	HHBF	
CCOC(=O)[C@H]1[C@@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1c2cccc1[N+](=O)[O-]	100665519	FUOPUIXPFABMRT-NJDQOJQWSA-N	406.460	3.960	5	1	HHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)O[C@@H]2C=CCCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	169723515	FBNLROVTWWRYAA-WSTZPKSXSA-N	412.442	3.868	5	1	HHBF	
Cc1ccc(C(=O)Nc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1[N+](=O)[O-]	587554146	JCJPSXUZWCBQKX-UHFFFAOYSA-N	417.381	3.572	5	1	HHBF	
O=[N+]([O-])c1cncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12	586966098	DXOCJMUNGFPGMD-UHFFFAOYSA-N	407.459	3.676	5	1	HHBF	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2N1	587124615	NNJAYSDEXGNYMJ-INWYIAFRSA-N	411.300	3.550	5	1	HHBF	
Cc1nn(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1[N+](=O)[O-]	587748539	VMPUDQBPWCDDGV-HUTHGQBESA-N	411.275	3.759	5	1	HHBF	
COc1cc(C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc(OC)c1OC	653686917	KMSDOHXHIPHOQV-UHFFFAOYSA-N	422.389	3.897	5	1	HHBF	
CC1(C)CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1	1772615483	FQCDZESESIXPHE-UHFFFAOYSA-N	423.516	3.719	5	1	HHBF	
COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	80479404	BEJFKXPICQIWOE-FPOVZHCZSA-N	422.437	3.960	5	1	HHBF	
O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)nn1CC(F)(F)F	587093119	VQDQIWOKSCTMLH-UHFFFAOYSA-N	408.109	3.799	5	1	HHBF	
O=C1C[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CN1Cc1ccc(F)cc1F	587147871	CGUSMHGCVOISKZ-SNVBAGLBSA-N	406.776	3.919	5	1	HHBF	
COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1nn(C)cc1[N+](=O)[O-]	587388642	DZGYYCXTMUTGLG-SFHVURJKSA-N	424.413	3.726	5	1	HHBF	
CCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])nn1Cc1ccccc1	84722531	VYTYOARPJASXFA-UHFFFAOYSA-N	413.817	3.901	5	1	HHBF	
COc1cc2c(cc1O)C[C@H]1c3c(c(Br)c(O)c(OC)c3-2)CC[N+]1(C)C	103170572	XLSTYSKVGRBHPE-ZDUSSCGKSA-O	421.311	3.774	5	1	HHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-]	587260564	UTSFNWOOMRYHJT-QNSHHTMESA-N	400.660	3.639	5	1	HHBF	
O=C(COc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)Nc1ccc([N+](=O)[O-])cc1	1857605235	ZSACIESEUVABMV-UHFFFAOYSA-N	416.393	3.516	5	1	HHBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@H]2C=CCCC2)[C@H]1c1cccc([N+](=O)[O-])c1	49088239	JCTRWHCGIWSFAF-PXNSSMCTSA-N	412.442	3.655	5	1	HHBF	
Cc1c(Br)cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1C	587265161	KVQOEPJTDIYYHI-LBPRGKRZSA-N	405.252	3.799	5	1	HHBF	
Cc1ncc([N+](=O)[O-])n1CCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1	1857642457	FWZMTWRLUMFTNQ-UHFFFAOYSA-N	414.897	3.514	5	1	HHBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263363	LWFCZEWWTTTYOO-SZEHBUNVSA-N	400.660	3.639	5	1	HHBF	
CC[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1	587660705	JFKBSFVHKTWXOF-GOSISDBHSA-N	421.388	3.599	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)ncnc2[nH]1	587053836	HCFBEPWDIIFBFR-LLVKDONJSA-N	409.233	3.695	5	1	HHBF	
COC(=O)c1ccc(Oc2ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1	587277559	YJXZMMYDZSBKMD-LBPRGKRZSA-N	407.386	3.856	5	1	HHBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)c3cccc([N+](=O)[O-])c32)N1	587749768	FOPHBDGVLZPEMC-DYBLOJMWSA-N	405.223	3.861	5	1	HHBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)nn2)c1	587270107	PVPAJPLCDWZWAK-UHFFFAOYSA-N	420.614	3.530	5	1	HHBF	
CCCCC(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	27443725	FIGJJVVGKQXSOV-UHFFFAOYSA-N	400.391	3.887	5	1	HHBF	
CCOC(=O)CN(Cc1ccccc1)c1nc(NCc2ccccc2)ncc1[N+](=O)[O-]	653859609	UIKSQHNSLCHWCR-UHFFFAOYSA-N	421.457	3.567	5	1	HHBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)c(F)cc2[nH]1	587264667	PGTVFGOPDVCMIG-NZFNHWASSA-N	409.761	3.706	5	1	HHBF	
C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc2c(O)nc(O)nc2n1	587562578	GGGCKBYDBDKYDX-LLVKDONJSA-N	401.378	3.836	5	1	HHBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	587573087	BALDVQUMKPWAJJ-RXVVDRJESA-N	407.334	3.732	5	1	HHBF	
C[C@]1(COCc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2[S@]1=O	1772632743	FTUGETCIOLTCQV-ACSYHNTCSA-N	413.455	3.680	5	1	HHBF	
CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c2ncn(C(C)C)c2c1	61949024	PQMZPBNFHIGAQN-CQSZACIVSA-N	412.446	3.927	5	3	HHBF	
O=C1NC(=O)c2c1c1c3ccc(F)cc3[nH]c1c1c2c2cccc3c2n1C[C@H](CO)C3	14945602	CUURVHIMRYQQCQ-SNVBAGLBSA-N	413.408	3.616	5	1	HHBF	
CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC3	169686285	QHRIUVOIKYNLOD-QZTJIDSGSA-N	408.458	3.868	5	1	HHBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1	587649333	RTRXAZVALIOKFV-MOSHPQCFSA-N	419.441	3.588	5	1	HHBF	
CCOC(=O)[C@@H]1[C@H]2/C(=C(\O)OCC)C(C)=N[C@]1(C)Sc1ccc([N+](=O)[O-])cc12	100665504	GTQDBWCKNHFWKA-SXOBJVMXSA-N	406.460	3.960	5	1	HHBF	
Cc1ccc(Cn2c(=N)n(C[C@@H](O)c3cccc([N+](=O)[O-])c3)c3ccccc32)cc1	473087920	MIYVURXVYAQAOK-JOCHJYFZSA-N	402.454	3.921	5	1	HHBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C	587865608	DBSYXTFWGYPHAJ-UHFFFAOYSA-N	423.351	3.721	5	1	HHBF	
O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CN2CCc3c([nH]c4ccccc34)C2)nn1	1857563885	PONJARPOWZXBHP-UHFFFAOYSA-N	408.849	3.869	5	1	HHBF	
CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1	82150318	KZQVXSVTZPMTGY-UHFFFAOYSA-N	423.448	3.937	5	1	HHBF	
Cc1c(OCc2ccc3c(O)nc(O)nc3n2)ccc2c1oc(=O)c1ccccc12	587562605	HLYQTJABEGCPPZ-UHFFFAOYSA-N	401.378	3.583	5	1	HHBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573366	BJCKDMOTSNUKFZ-DYESRHJHSA-N	409.350	3.718	5	1	HHBF	
COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12	587649376	TVKFBLABQMKGQM-GFCCVEGCSA-N	403.435	3.977	5	1	HHBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1O	587579117	YVESVHQVMWSZQI-GHTZIAJQSA-N	409.350	3.718	5	1	HHBF	
COc1cc([N+](=O)[O-])c([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1Cl	962765152	MDYYLVPTHBPAGZ-XJKSGUPXSA-N	414.767	3.992	5	1	HHBF	
CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2)NCCc2c1c(C(C)C)nn2C	962906669	HOGYQLBRMITNND-HSZRJFAPSA-N	405.502	3.931	5	1	HHBF	
CN1C(=O)C[C@@H]2CN[C@@H](c3cc(F)c(Br)cc3[N+](=O)[O-])c3cccc1c32	963023188	LLOFWTHGGGDTMY-DYBLOJMWSA-N	420.238	3.639	5	1	HHBF	
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1C[C@@H](CO)CC3	14945611	MWZYWTLBRIPMSY-LBPRGKRZSA-N	409.445	3.867	5	1	HHBF	
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCc3c(cccc3[N+](=O)[O-])C2)c(C(F)(F)F)c1	82151165	HGNVNNFCXPHNOK-UHFFFAOYSA-N	412.280	3.993	5	1	HHBF	
CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1C	1772609528	QTYYFMUHIVCHFM-UHFFFAOYSA-N	404.400	3.627	5	1	HHBF	
CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775912	YYUJMXYKUNZHAO-UHFFFAOYSA-N	409.870	3.949	5	1	HHBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(=O)O)c2[nH]1	587054857	MMGFWCKQJVFXTC-OAHLLOKOSA-N	416.821	3.950	5	1	HHBF	
COC(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587744734	FJRQSVYTDODPDA-ABKXIKBNSA-N	423.238	3.907	5	1	HHBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1nc(N2CCCCC2)ncc1F	587946682	YUSVFTQNSNGIHP-ZDUSSCGKSA-N	407.446	3.532	5	1	HHBF	
C[N+](C)(C)CCC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1	96258311	CNYYVKHGPZFTEI-UHFFFAOYSA-O	414.489	3.517	5	1	HHBF	
COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc([N+](=O)[O-])cc4)c32)cc1	96940441	CRYLYUNOIBYGKU-UHFFFAOYSA-N	409.423	3.857	5	1	HHBF	
CCOC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1	103245442	JBVYAQQIDGBHNB-LFYBBSHMSA-N	424.457	3.525	5	1	HHBF	
COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c([N+](=O)[O-])cc1OCC(F)F	587381947	IXOYXYQMRSWKEY-OAHLLOKOSA-N	408.357	3.844	5	1	HHBF	
O=C(Cc1ccc(O)c([N+](=O)[O-])c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661941	UHYOUBKKJTXLJV-UHFFFAOYSA-N	419.368	3.699	5	1	HHBF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(N1)c1ccccc1Oc1ccc([N+](=O)[O-])cc12	962903676	MRKOMYFNEBGPCA-JTSKRJEESA-N	406.369	3.730	5	1	HHBF	
O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc([N+](=O)[O-])ccc34)cc2N1	587645611	ZPZUZNXCRFMWMY-UHFFFAOYSA-N	405.288	3.657	5	1	HHBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc([N+](=O)[O-])cc1	587868099	GLWLZVNBBJRFFE-UHFFFAOYSA-N	422.319	3.600	5	1	HHBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1	587269655	LEEULSDMZCHRMK-UHFFFAOYSA-N	419.363	3.905	5	1	HHBF