smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(COc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1	40423390	WRRSLLXFFKADJH-VIFPVBQESA-N	402.285	1.646	5	1	HDBF	
CN(CC(=O)N1CCCNCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085697	HTYYEMFHHTUZDT-UHFFFAOYSA-N	403.464	1.612	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(c3cccs3)[C@@]34O[C@H]3C=CS4)C[C@@H]1[C@H]1O[C@@H]21	473234837	BECIZFBLXAODNP-NHUXANPISA-N	408.521	1.592	5	1	HDBF	
COC(=O)C1(C(=O)OC)CC=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	95571288	CCSNUJZXCUJSJS-UHFFFAOYSA-N	412.420	1.268	5	3	HDBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O	82084202	JBABVPSWVVWAGM-LBPRGKRZSA-N	423.476	1.129	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(F)cc2c1=O	299823282	UFTUNGILFNTWOO-ZDUSSCGKSA-N	418.381	1.792	5	1	HDBF	
O=C(O)c1nn(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1I	587184536	BBSYUCHAUUEJFA-UHFFFAOYSA-N	414.119	1.414	5	1	HDBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(N)=O	82084203	JBABVPSWVVWAGM-GFCCVEGCSA-N	423.476	1.129	5	1	HDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12	253636203	QGFBNJWUHRUQMW-COWRSKPRSA-O	409.462	1.351	5	1	HDBF	
Nc1ncnc2c1ncn2CCOC[P@@](=O)(O)OCc1ccc([N+](=O)[O-])cc1	29546458	YZQBTDBAVGRLSR-UHFFFAOYSA-N	408.311	1.693	5	1	HDBF	
Nc1ncc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-]	587268323	REOPOKYURCSNQM-UHFFFAOYSA-N	404.408	1.136	5	1	HDBF	
O=C(c1c(F)cccc1-n1nccn1)N1C[C@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@@H]2C1	116822845	PWDDOGOFADEXFF-STQMWFEESA-N	424.396	1.313	5	1	HDBF	
CN(C)S(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1	586920867	SMRFYFJHNWOZJZ-UHFFFAOYSA-N	424.460	1.695	5	1	HDBF	
CC(C)(C)NC(=O)NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	3301325	YEJHAKYOOQPUGQ-UHFFFAOYSA-N	414.802	1.146	5	3	HDBF	
Cn1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc32)c([N+](=O)[O-])c1	27101011	PCWUUMDSPFWXSJ-UHFFFAOYSA-N	415.381	1.484	5	1	HDBF	
Nc1onc(-c2ccccc2[N+](=O)[O-])c1C(=O)Nc1ccc(S(N)(=O)=O)cc1	1772626692	TXYMBLPAHOHHLQ-UHFFFAOYSA-N	403.376	1.732	5	1	HDBF	
COCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1	82148166	OSQVOAIAFFBHIQ-UHFFFAOYSA-N	401.423	1.655	5	1	HDBF	
CN1CCN(CCOc2cccc3cc4c(=O)nc(N5CCOCC5)oc4cc23)CC1	72175384	APBYTSJJXGOTBP-UHFFFAOYSA-N	424.501	1.804	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1	586934361	GQZADSKHWFBBDD-BONVTDFDSA-N	406.420	1.880	5	1	HDBF	
C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)O)cc1	13840045	XRDCEFYZBWNYJD-NSHDSACASA-N	408.388	1.957	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2nc(Br)c[nH]c-2n1	587271652	DWZFVYJYOLKTMW-UWVGGRQHSA-N	423.183	1.008	5	1	HDBF	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N/C(C)=O	12469930	JBYMTZHPNZIZJG-YMVIQGDUSA-N	410.430	1.452	5	1	HDBF	
CC(=O)O[C@@H]1[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O	13139322	FFSQKNAKTIJTOA-YRXWBPOGSA-N	422.390	1.109	5	3	HDBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NS(=O)(=O)c1ccccc1OC(F)(F)F)C2	82156920	XKPHLGZRCIOAAT-QMMMGPOBSA-N	408.314	1.429	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCN1CCN(c2ccc(F)cc2)CC1	49521938	NLDJJTVUTHASJV-UHFFFAOYSA-N	405.430	1.994	5	1	HDBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82214832	KCKQTIPKXAVYLE-OAHLLOKOSA-N	424.461	1.893	5	1	HDBF	
O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1	586945838	BZMAEHDVYUFFMS-ZDUSSCGKSA-N	403.420	1.990	5	1	HDBF	
CCCCCCN1C[C@@H](S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(=O)NC1=O	618015048	VAMWALKALUFSKE-CQSZACIVSA-N	416.431	1.976	5	1	HDBF	
Cc1c2cc[n+]([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12	28757791	QGFBNJWUHRUQMW-GEFFGTOZSA-O	409.462	1.351	5	1	HDBF	
COc1ccc(-n2nnnc2[S@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169331778	VTHIXFZWIBHACB-MUUNZHRXSA-N	404.364	1.795	5	1	HDBF	
C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(C(C)C)C(C)(C)O)[C@H]12	238773676	PBLWIGATYNBPII-BHPKJIICSA-N	411.495	1.593	5	1	HDBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1N1CCc2cc([N+](=O)[O-])ccc21	13139320	FFSQKNAKTIJTOA-AKHDSKFASA-N	422.390	1.109	5	1	HDBF	
O=[N+]([O-])c1cnc2[nH]c(-c3nc(O)nc(O)c3I)nc2c1	587182429	OPJQCQITZCFLBI-UHFFFAOYSA-N	400.092	1.339	5	1	HDBF	
O=C(Cc1ccc(-c2nnn[nH]2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	96938239	WDLIPJHUMBTVAT-UHFFFAOYSA-N	421.461	1.704	5	1	HDBF	
CN(CC(=O)N1CCCNCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085741	XGGSYKFJGOUGBL-UHFFFAOYSA-N	403.464	1.612	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O	299825674	ZRWUHINQZNVKLH-LLVKDONJSA-N	404.354	1.483	5	1	HDBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135390	DMXQLGHMTQNVPD-HNNXBMFYSA-N	424.461	1.990	5	1	HDBF	
CC(=O)N[C@@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O	15264113	CBXHEDPBKOZZSI-NSHDSACASA-N	401.400	1.369	5	1	HDBF	biogenic,in-vitro
CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=N)N)cc3[nH]2)cc1[N+](=O)[O-]	586941120	NUYUWDJUQLRAOQ-UHFFFAOYSA-N	420.476	1.956	5	1	HDBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(OS(N)(=O)=O)cc1	1857555927	SJRBAZVUQDKBBC-QGZVFWFLSA-N	404.404	1.875	5	1	HDBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C2	73197051	QONLVTUBUKRYHL-QMMMGPOBSA-N	408.314	1.429	5	1	HDBF	
COc1cc2c(cc1OC)[C@@]13CC[N@@+]4(N)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	299810455	YEHVVXMTEUHAGT-USEKHXJJSA-N	410.494	1.498	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21	299821363	LDXBVZMYIZPPLM-VIFPVBQESA-N	424.772	1.966	5	1	HDBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCN4CCN(C)CC4)cn3c(=O)c2c1	29393812	JBZPYYCKBCFZQI-UHFFFAOYSA-N	407.518	1.948	5	1	HDBF	
CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084084	QSJIAHAKJOPHMV-LBPRGKRZSA-N	410.477	1.636	5	1	HDBF	
CC1=C(C(=O)OCC(C)(C)O)[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)O)=C(CO)N1	299853537	MISIVWJIYYKBHA-HNNXBMFYSA-N	406.391	1.201	5	1	HDBF	
COc1ccc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@H]3C2)cc1	1857643490	QJFXBMWLIRGONR-KBPBESRZSA-N	407.448	1.949	5	1	HDBF	
CCOC(=O)N1C[C@@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	377812596	OTJJFNMXZQFCDM-WDEREUQCSA-N	413.367	1.546	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(C3=C[C@@H]4O[C@@H]4S3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21	473235333	YEAMHTXDSGCXQR-BNCXZNCZSA-N	408.521	1.592	5	1	HDBF	
CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	1857618832	YOCHWMLSHMATRP-QGZVFWFLSA-N	404.404	1.875	5	1	HDBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4049219	UZTNOQCHEUMMOQ-MJGOQNOKSA-N	415.402	1.812	5	1	HDBF	
CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCNCC1	82082404	HFVMHTQTXROPDD-INIZCTEOSA-N	417.491	1.905	5	1	HDBF	
CS(=O)(=O)Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccccc3)nc12	40411129	YEULDWCDACRTPC-UHFFFAOYSA-N	400.376	1.313	5	1	HDBF	
N=c1[nH]c2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc-2c(Cl)[nH]1	587263359	SASNFRQGNWBOKH-UHFFFAOYSA-N	416.829	1.762	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc3c(cc2[nH]1)OCCCO3	587271781	HCOXPILJLPAZIL-IRXDYDNUSA-N	414.374	1.665	5	1	HDBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587265418	UCAWGBWGVRQZMY-MLUIRONXSA-N	408.762	1.721	5	1	HDBF	
CNC(=O)[C@H](Cc1ccccc1)C[C@H](O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1772611087	CFTQUVGAIVLAGV-WBVHZDCISA-N	421.475	1.229	5	1	HDBF	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-]	64497238	SACGZXXFSFEUEG-UHFFFAOYSA-N	404.400	1.698	5	1	HDBF	
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	169690333	YOAVCFSGOGJDHZ-KWAZRSOSSA-N	418.789	1.781	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3[N+](=O)[O-])[C@@H]12	95585699	RVERFGZZMHNBPW-NXEZZACHSA-N	404.389	1.559	5	1	HDBF	
O=[N+]([O-])c1cc([C@@H](NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1	13440493	IPCHEUUNGBEQKN-INIZCTEOSA-N	406.291	1.915	5	1	HDBF	
CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82150170	WPWLJMYXWMOTPB-AWEZNQCLSA-N	412.450	1.845	5	1	HDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12	253636204	QGFBNJWUHRUQMW-QRYVVUSGSA-O	409.462	1.351	5	1	HDBF	
Cn1c2ccccc2c(=O)c2cccc(C(=O)N[C@H](CCCNC(=N)N)C(=O)O)c21	5582337	BJODGLCFZGOYQP-OAHLLOKOSA-N	409.446	1.138	5	1	HDBF	
CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95601933	XKQZXTSKXWWMHQ-UHFFFAOYSA-N	423.422	1.526	5	1	HDBF	
O=C(c1ccc2oc3ccc(C(=O)N4CCOCC4)cc3c(=O)c2c1)N1CCOCC1	169315488	CJEGLIFZIBZFMC-UHFFFAOYSA-N	422.437	1.891	5	1	HDBF	
Cn1nc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c(I)c1C(=O)O	587181028	LODAPNXAYGGYIG-UHFFFAOYSA-N	414.119	1.569	5	1	HDBF	
O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O	587935760	FKYQRLNXXKWWIW-UHFFFAOYSA-N	415.152	1.813	5	1	HDBF	
CN(C)S(=O)(=O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12	587270561	VNWZHQCPCGKAKH-UHFFFAOYSA-N	413.419	1.969	5	1	HDBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O	82084159	NYYHZTBMYKXHAZ-LBPRGKRZSA-N	424.460	1.728	5	1	HDBF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82135385	BJYGYEAGDAZXHQ-UHFFFAOYSA-N	424.461	1.956	5	1	HDBF	
O=C(COc1ccc(-c2ccc(F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1	82157188	VXGUUKJMNPPXDC-AWEZNQCLSA-N	413.365	1.949	5	1	HDBF	
CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4ccc(C(=O)O)c4)cc3n2n1	13532624	BIUNZQNSKOQDRU-UHFFFAOYSA-N	412.318	1.557	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12	95584976	YVQKPTGBFBYTSB-NXEZZACHSA-N	404.389	1.559	5	1	HDBF	
C[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277407	VMISNPWMQXJJOP-ZDUSSCGKSA-N	413.438	1.027	5	1	HDBF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	195376515	GSMJIXGYXGKFDC-IONDEXAJSA-N	424.457	1.441	5	1	HDBF	
CCCc1nn(C)c2c(=O)nc(-c3cc(NCCC(=O)NO)ccc3OCC)[nH]c12	224521812	NAIRQGXUCATQLS-UHFFFAOYSA-N	414.466	1.982	5	1	HDBF	
COC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587272130	KPOIRVUUHYDAAP-GJZGRUSLSA-N	400.347	1.291	5	1	HDBF	
Cc1c2cc[n+](C)cc2c(CO[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2c3ccccc3n(C)c12	254170047	ZNXXZAZGDYGHGN-OYYPCOLYSA-N	423.489	1.573	5	1	HDBF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586959709	SYTVRMUZAFVPDH-HNNXBMFYSA-N	407.364	1.848	5	1	HDBF	
CCCCn1c(=O)c2ccc3c(=O)n(CCCN(C)C)c(=O)c4ccc(c1=O)c2c34	1857656807	XRGVMTGOFXHTDL-UHFFFAOYSA-N	407.470	1.817	5	1	HDBF	
O=C(NCCN1CCNC1=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12	169349296	HLWKVUFQFSYKFH-UHFFFAOYSA-N	401.426	1.756	5	1	HDBF	
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1	2965639	SKPBGLVUVVPTHV-UHFFFAOYSA-N	422.466	1.468	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(C)cc2c1=O	299824465	VQWLJIMSTZZFKQ-AWEZNQCLSA-N	414.418	1.961	5	1	HDBF	
Cc1cc(Oc2ncnc(N(C)CC(=O)OC(C)(C)C)c2[N+](=O)[O-])c2nncn2n1	8662987	ACBLEWUSUAQWIF-UHFFFAOYSA-N	416.398	1.701	5	1	HDBF	
O=C(O)c1nn(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1I	587186403	VOSWJGXMWMUZQP-UHFFFAOYSA-N	414.119	1.414	5	1	HDBF	
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	1172203	YOAVCFSGOGJDHZ-BRTARUFTSA-N	418.789	1.781	5	1	HDBF	
CCOC(=O)N1CCN(C(=S)SC[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772625849	ZBMMSUUAFXNXDC-LBPRGKRZSA-N	417.513	1.253	5	1	HDBF	
C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H](O)COc1ccccc1	28264848	BNIIKZSXGANDNR-CABCVRRESA-N	409.464	1.291	5	1	HDBF	
CCOC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1	40565540	DAHPCXPEZCQILP-UHFFFAOYSA-N	403.395	1.791	5	1	HDBF	
NCCCNc1ccc2c(CN3CCOCC3)nn3c4cccc(O)c4c(=O)c1c23	101155829	NKRTUVQIGQYHSJ-UHFFFAOYSA-N	407.474	1.737	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O	299822405	QOSQWLWMNMTTQK-NSHDSACASA-N	422.344	1.622	5	1	HDBF	
CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084082	QSJIAHAKJOPHMV-GFCCVEGCSA-N	410.477	1.636	5	1	HDBF	
O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N[C@H]1CCCCNC1=O	82084812	PDLVTUUVGUKOJO-LBPRGKRZSA-N	417.447	1.233	5	1	HDBF	
N[C@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc([N+](=O)[O-])ccc21	169346673	NTAAJWFAIZHHAF-HNNXBMFYSA-N	410.415	1.839	5	1	HDBF	
COCCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82147811	HEVVQDRWOHLWBK-UHFFFAOYSA-N	401.423	1.973	5	1	HDBF	
Cc1cccn2c(=O)c3cc(C(=O)NCCO)c(=N)n(CCc4cccs4)c3nc12	1857592944	NHRVAZLLKLGJSP-UHFFFAOYSA-N	423.498	1.463	5	1	HDBF	
O=C1[C@@H]2CCCCN2C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	13760059	VPVUBBZSBOCTFQ-SFHVURJKSA-N	401.467	1.924	5	1	HDBF	
CC1=C(C(=O)OCC(C)(C)O)[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)O)=C(CO)N1	299853538	MISIVWJIYYKBHA-OAHLLOKOSA-N	406.391	1.201	5	1	HDBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1OC(C)=O	105504631	FFSQKNAKTIJTOA-HCXYKTFWSA-N	422.390	1.109	5	3	HDBF	
CN(C)c1ccc(-n2c(CN3CCNCC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	203291075	YMJFLWFVAYBSIZ-UHFFFAOYSA-N	408.462	1.765	5	1	HDBF	
CCOC(=O)N1C[C@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	377812595	OTJJFNMXZQFCDM-QWRGUYRKSA-N	413.367	1.546	5	1	HDBF	
CCN(CC)C(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377797416	LIMMZXXGSRLDKJ-UHFFFAOYSA-N	412.383	1.075	5	1	HDBF	
CN1CCN(c2ccc(-c3c4c(N)ncnc4nc4nc(S)[nH]c(=O)c34)cc2)CC1	40953061	WNWBRCJZLSAPET-UHFFFAOYSA-N	420.502	1.551	5	1	HDBF	
O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Nc2nc3cc([N+](=O)[O-])ccc3s2)C2=[N+]([O-])ON[C@@H]12	299857285	FEDAPKAZYDEUIN-NSHDSACASA-N	421.307	1.049	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cnc2[nH]1	587272607	ONVLMWNYJSYLOP-RYUDHWBXSA-N	411.296	1.918	5	1	HDBF	
Cc1c2ccn([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccccc12	377376572	QGFBNJWUHRUQMW-UYOMMXDPSA-N	408.454	1.932	5	1	HDBF	
N[C@@H](CCc1nc2nc(Br)c[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271026	XHCVUIUIHPESOX-JTQLQIEISA-N	420.227	1.874	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cnc(C(F)(F)F)[nH]c-2n1	587272610	OOIIMODPVDNAIL-UWVGGRQHSA-N	412.284	1.265	5	1	HDBF	
O=C(OCCOCCN1CCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086298	BRYNVUGNHBZZPH-UHFFFAOYSA-N	406.464	1.797	5	1	HDBF	
CCCCn1c(=O)c2ccc3c(=O)n(-c4ncccn4)c(=O)c4ccc(c1=O)c2c34	1857650111	KBDIKIIYOOOBJL-UHFFFAOYSA-N	400.394	1.645	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)O)cc1	586938767	XPNPINAQFLVNMS-HWPZZCPQSA-N	406.420	1.880	5	1	HDBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1	587265409	DFWKNWVUBNYACE-SSDLBLMSSA-N	407.368	1.698	5	1	HDBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1cccc(OS(N)(=O)=O)c1	1857548639	JVBMOBYCRCNLDC-QGZVFWFLSA-N	404.404	1.875	5	1	HDBF	
O=C(NCCNC[C@@H](O)COc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1	29214332	ZRLATNLCOKMROT-MRXNPFEDSA-N	417.418	1.125	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(c3cccs3)[C@]34O[C@@H]3C=CS4)C[C@@H]1[C@H]1O[C@@H]21	473234840	BECIZFBLXAODNP-WEHUJBDRSA-N	408.521	1.592	5	1	HDBF	
O=C(CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O)NCc1ccccc1	1857636176	DPMNMEXKPODRQY-INIZCTEOSA-N	421.431	1.423	5	1	HDBF	
CC(=O)NCCNC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82136003	JHCZWWMQYPPSEF-UHFFFAOYSA-N	412.450	1.908	5	1	HDBF	
NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	45260060	ZLVXLEISXAIWNA-HNNXBMFYSA-N	419.413	1.933	5	1	HDBF	
CC1CCN(C(=O)CCCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1	95601165	JNQZBYPOJQLIEU-UHFFFAOYSA-N	411.480	1.767	5	1	HDBF	
COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1OC	587271447	CYJZSRBAGIHKAS-HOTGVXAUSA-N	402.363	1.521	5	1	HDBF	
COc1cc(Cl)nc(NC(=O)NS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)n1	1857579200	BPUURQMCMDVYMI-UHFFFAOYSA-N	403.760	1.492	5	1	HDBF	
CN(C)C(=O)c1ccc2c(c1)[C@@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)NCC2	962920511	BMVZWEJFCNQKBH-HXUWFJFHSA-N	417.487	1.731	5	1	HDBF	
C[N@@+]1(CCCS(=O)(=O)O)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	254132502	PIWAVOGXKRZQCB-CWVBCOCOSA-O	412.528	1.724	5	1	HDBF	
N[C@@H](C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	62146792	BYYXZTAZFJCLLG-KSZLIROESA-N	412.402	1.249	5	1	HDBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)CC[N+](=O)[O-])CC3)cc21	72114515	TVCFFTZZVHJHRA-UHFFFAOYSA-N	420.397	1.174	5	1	HDBF	
COc1cnc2c(c1)C(=O)c1c-2n(CCCNCCO)c(=O)c2cc([N+](=O)[O-])ccc12	103250722	LBEKXMVPNCQARE-UHFFFAOYSA-N	424.413	1.497	5	1	HDBF	
C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C(=O)O)cc1	27556911	XRDCEFYZBWNYJD-LLVKDONJSA-N	408.388	1.957	5	1	HDBF	
COc1cc(N)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1	29207952	OXPDBLCRSRNSKS-OAHLLOKOSA-N	400.435	1.816	5	1	HDBF	
CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82150172	WPWLJMYXWMOTPB-CQSZACIVSA-N	412.450	1.845	5	1	HDBF	
O=[N+]([O-])c1cccnc1NCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587268549	DBEIPYHMJKTDTL-UHFFFAOYSA-N	418.435	1.499	5	1	HDBF	
Cc1c2cc[n+]([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12	28757790	QGFBNJWUHRUQMW-CJBTUOLMSA-O	409.462	1.351	5	1	HDBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O	82084081	FCNCPCQVLJXOIG-CYBMUJFWSA-N	424.460	1.728	5	1	HDBF	
C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C(=O)O)cc1	13863142	XNEMZTXZYNPGGJ-NSHDSACASA-N	408.388	1.957	5	1	HDBF	
O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1	84689966	KHQDPVXIOWRYAQ-UHFFFAOYSA-N	409.346	1.844	5	1	HDBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC[C@@H](O)CO)c([N+](=O)[O-])cc1OC	2483841	DAHIJQUHDNTBDX-SNVBAGLBSA-N	423.422	1.648	5	1	HDBF	
O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(Cl)cnc21	71330168	ZJIKNYRLQHKFKY-UHFFFAOYSA-N	412.811	1.696	5	1	HDBF	
Nc1onc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1	1772654572	WFALAHLDCCYRAJ-UHFFFAOYSA-N	403.376	1.732	5	1	HDBF	
COc1ccc([N+](=O)[O-])c(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1	4177394	ZWNUTCUEPHKBLP-CJXOWJITSA-N	400.391	1.532	5	1	HDBF	
COC(=O)C1=CN[C@@H](OC)[C@@H]2[C@@H]1C[C@@H]1c3[nH]c4ccccc4c3CC[N+]1([O-])[C@H]2CO	198512024	GBRNHZBSAABLEG-AIZDZTJISA-N	413.474	1.709	5	1	HDBF	
O=C(c1c(F)cccc1-n1nccn1)N1C[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@H]2C1	116822844	PWDDOGOFADEXFF-CHWSQXEVSA-N	424.396	1.313	5	1	HDBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCNC2)[C@H]1c1cccc([N+](=O)[O-])c1	1857553766	MNIFERRVTNGBEK-IFXJQAMLSA-N	414.462	1.728	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1	586934360	GQZADSKHWFBBDD-BMIGLBTASA-N	406.420	1.880	5	1	HDBF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	13139588	GSMJIXGYXGKFDC-FYXYJPLOSA-N	424.457	1.441	5	1	HDBF	
CCCCN1CCN(C(=S)SC[C@@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1	1772615157	QXCPEJXNVGJYSU-AWEZNQCLSA-N	401.558	1.896	5	1	HDBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NS(=O)(=O)c1cccc(OC(F)(F)F)c1)C2	73197050	FFGYZWPTXSUYKJ-QMMMGPOBSA-N	408.314	1.429	5	1	HDBF	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	36227876	GSMJIXGYXGKFDC-LOHFZDIYSA-N	424.457	1.441	5	1	HDBF	
C[N@+]1(CCCS(=O)(=O)O)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	254132507	PIWAVOGXKRZQCB-KKKDIUQISA-O	412.528	1.724	5	1	HDBF	
Cn1nc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c(I)c1C(=O)O	587181151	NQPSADRGUNNMKU-UHFFFAOYSA-N	414.119	1.569	5	1	HDBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1[N+](=O)[O-]	586941019	MRMVRZAGOKDIAL-UHFFFAOYSA-N	408.465	1.836	5	1	HDBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O	2356404190	GFWMJRATOXLAIF-GPQLQYNLSA-N	409.394	1.181	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21	299820942	JJFPVLBWCZTRFJ-JTQLQIEISA-N	408.317	1.452	5	1	HDBF	
O=C([C@@H]1C[C@H](N2CCCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1)N1CCSC1	28889084	ITTDLZYGHITPFM-ROUUACIJSA-N	405.524	1.370	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)ncc2[nH]1	587271317	BTBNPNCDANSUPB-STQMWFEESA-N	411.296	1.918	5	1	HDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3c[nH]c4cccc([N+](=O)[O-])c34)N2C(=O)[C@@H]2CCCN12	963224191	RIXZJBWVMWXMOT-MPGHIAIKSA-N	406.402	1.647	5	1	HDBF	
Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1Cc1ccc([N+](=O)[O-])cc1	605280	HTXKLABIOWFNDP-UHFFFAOYSA-N	410.434	1.718	5	1	HDBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587267784	QRVQXOMMINKJBI-GFCCVEGCSA-N	420.451	1.606	5	1	HDBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O	2356404189	GFWMJRATOXLAIF-CUXKYVRBSA-N	409.394	1.181	5	1	HDBF	
O=[N+]([O-])c1ccc2nnn(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c2c1	49807438	BHEHQQJOAJYSOE-QGZVFWFLSA-N	401.333	1.797	5	1	HDBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148924	SLCKPFGYEODWLX-HNNXBMFYSA-N	424.461	1.990	5	1	HDBF	
CC(=O)N1N=C(c2ccc(-n3nc(C)n(N)c3=O)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	103220471	OEQVROPVGXYRJC-IBGZPJMESA-N	421.417	1.662	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cncc(Br)c2[nH]1	587274097	YRAJNUKNRJXCPG-STQMWFEESA-N	422.195	1.662	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1	48998591	AYZUTSFWGJOMSQ-QGQQZZQASA-O	409.462	1.999	5	1	HDBF	
C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)COC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@H]2O3	238785559	TXXHEKXTAGPLRN-LTFGEJOGSA-N	408.471	1.840	5	1	HDBF	
CC=C(C)OC(=O)[C@@H]1CC[N@+]2([O-])CC=C(CC(=O)O[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@H]12	2356320146	JADUSZFTLCNVGE-AZIZVXIRSA-N	409.435	1.300	5	1	HDBF	
CN(C)CCNC(=O)c1ccc2nc3c(C(=O)NCCN(C)C)cccc3cc2c1	29554795	SKBGPMUQGSTROQ-UHFFFAOYSA-N	407.518	1.971	5	1	HDBF	
CN(C)CCNC(=O)c1ccc(NCCNCCO)c2c(O)c3ccccc3nc12	13652289	SCTQSXVKCGIJBG-UHFFFAOYSA-N	411.506	1.379	5	1	HDBF	
CN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	1857756965	XPRIHUBUXBQAHX-CYBMUJFWSA-N	402.436	1.766	5	1	HDBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC[C@H](O)CO)c([N+](=O)[O-])cc1OC	2483839	DAHIJQUHDNTBDX-JTQLQIEISA-N	423.422	1.648	5	1	HDBF	
C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C(=O)O)c1	26377763	OASHABONOBLALZ-LLVKDONJSA-N	408.388	1.957	5	1	HDBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N[C@@H](CC(=O)O)C(=O)O)c([N+](=O)[O-])c21	1772578361	JKHYUZGVNCSNRD-VIFPVBQESA-N	411.298	1.107	5	1	HDBF	
COCCO/C(O)=C1\C(C)=Nc2cc(=O)[nH]c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	101852096	QUCVZBITYZOCMY-IBOXJLQUSA-N	402.363	1.573	5	1	HDBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3cccs3)CC2)s1	40420659	ORIUIRQAHANGJX-UHFFFAOYSA-N	405.465	1.871	5	1	HDBF	
CC(C)NC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cn2)CC1	40563975	CQXWWLBYQGLJAO-UHFFFAOYSA-N	416.438	1.753	5	1	HDBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O	100284843	HZHOIYBSOJAKDR-TWTFDDHTSA-N	411.414	1.985	5	1	HDBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O	100284852	HZHOIYBSOJAKDR-QIKBGRHYSA-N	411.414	1.985	5	1	HDBF	
CCCCN1CCN(C(=S)SC[C@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772616553	SRPRPVKRENQKEJ-CQSZACIVSA-N	401.558	1.896	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757646	QFLGHJKUQZFHRL-QQUTXWOLSA-O	409.462	1.999	5	1	HDBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)O	82084079	FCNCPCQVLJXOIG-ZDUSSCGKSA-N	424.460	1.728	5	1	HDBF	
N[C@@H](Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1CCC(=O)O)C(=O)O	299829229	UFVCULDTYQUVHZ-HNNXBMFYSA-N	401.375	1.819	5	1	HDBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1	587265407	DFWKNWVUBNYACE-CDUCUWFYSA-N	407.368	1.698	5	1	HDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3c[nH]c4cccc([N+](=O)[O-])c34)N2C(=O)[C@@H]2CCCN12	963224195	RIXZJBWVMWXMOT-RLFYNMQTSA-N	406.402	1.647	5	1	HDBF	
O=C(NCCNC[C@H](O)COc1cccc2c1OCCO2)c1ccc([N+](=O)[O-])cc1	29214327	ZRLATNLCOKMROT-INIZCTEOSA-N	417.418	1.125	5	1	HDBF	
O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)c1	1857628381	QHNWRCBDBAXYGR-ZBRFXRBCSA-N	411.794	1.094	5	1	HDBF	
O=C(OCCOCCN1CCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086347	XLLAUZBMUJKUSM-UHFFFAOYSA-N	406.464	1.797	5	1	HDBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587265417	UCAWGBWGVRQZMY-CDUCUWFYSA-N	408.762	1.721	5	1	HDBF	
CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-]	95605914	SQIVVUWEGKZOCT-UHFFFAOYSA-N	417.443	1.708	5	1	HDBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(N)=O)cc3[nH]2)cc1[N+](=O)[O-]	586940732	DQFQUJONQYCLMR-UHFFFAOYSA-N	421.460	1.770	5	1	HDBF	
CCCc1cc(OC(CO)CO)c2c(c1)c1cc3c(cc1c(=O)n2CCN)OCO3	238789224	QOBWAHGNXHPTJC-UHFFFAOYSA-N	414.458	1.527	5	1	HDBF	
N=C(NCc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	45387204	POHQAUCDACNHAR-UHFFFAOYSA-N	403.464	1.626	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3[N+](=O)[O-])[C@H]12	95585701	RVERFGZZMHNBPW-VHSXEESVSA-N	404.389	1.559	5	1	HDBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587274953	XRAMYPAWRXUHRL-LBPRGKRZSA-N	420.451	1.492	5	1	HDBF	
CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1ccc([N+](=O)[O-])cc1	1857548344	HBPHIUXKEUWKLO-KRWDZBQOSA-N	404.404	1.875	5	1	HDBF	
CCCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	1857629295	ZCJXMLPKKDIHSJ-AWEZNQCLSA-N	401.441	1.413	5	1	HDBF	
O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	101665319	NAERQYNXVOZYOS-LFGUQSLTSA-N	410.474	1.520	5	1	HDBF	
O=C(O)c1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F	587271215	ARHFROFUIWIBLE-KBPBESRZSA-N	404.310	1.341	5	1	HDBF	
CN(C)CCN1C(=O)CC[C@H](N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C1=O	34297403	KIKDXMATJWBRRD-INIZCTEOSA-N	424.413	1.423	5	1	HDBF	
CCOC(=O)N1C[C@@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	377812593	OTJJFNMXZQFCDM-GHMZBOCLSA-N	413.367	1.546	5	1	HDBF	
COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=Nn1c(n[nH]c(=O)c1=O)C2	27209677	RYKMOESBVCCGJA-UHFFFAOYSA-N	409.358	1.062	5	1	HDBF	
CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)ccc21	1772629769	IXFTYBRUYGFXQI-UHFFFAOYSA-N	408.374	1.635	5	1	HDBF	
COc1cc(Cl)nc(NC(=O)NS(=O)(=O)Oc2ccccc2[N+](=O)[O-])n1	1857562980	SULYCSASXPJBSB-UHFFFAOYSA-N	403.760	1.492	5	1	HDBF	
CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1	587265846	XPTJAUITRSHEDO-LBPRGKRZSA-N	405.436	1.670	5	1	HDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cc(F)c(O)c([N+](=O)[O-])c3)N2C(=O)[C@@H]2CCCN12	963214589	KIFWGMFBYXGMFV-WHOFXGATSA-N	401.354	1.010	5	1	HDBF	
COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4049218	UZTNOQCHEUMMOQ-IEBWSBKVSA-N	415.402	1.812	5	1	HDBF	
CN(C)CCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084971	YVWWVXHYXAIEAD-UHFFFAOYSA-N	422.463	1.570	5	1	HDBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82214830	KCKQTIPKXAVYLE-HNNXBMFYSA-N	424.461	1.893	5	1	HDBF	
COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=Nn1c(n[nH]c(=O)c1=O)C2	27209733	XDVLROQSALXXMS-UHFFFAOYSA-N	409.358	1.062	5	1	HDBF	
O=C1OCCN1CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O	28229394	MGMZVSUVFRMDRC-UHFFFAOYSA-N	400.303	1.704	5	1	HDBF	
COC(=O)[C@@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)SCCS2	103249732	WTNQTGOWRZYDSO-LBPRGKRZSA-N	404.491	1.707	5	1	HDBF	
Cc1c2cc[n+](C)cc2c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2c3ccccc3n(C)c12	254170042	ZNXXZAZGDYGHGN-OTUUDDROSA-N	423.489	1.573	5	1	HDBF	
CN1C(=O)[C@](O)(Cc2cccc(O)c2)NC(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765759	CTMDCUWGMQXPQQ-LAUBAEHRSA-N	424.413	1.212	5	1	HDBF	biogenic
C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](n1cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn1)C2	100597428	XMYRTVGNISQHIG-OSYLJGHBSA-N	421.503	1.607	5	1	HDBF	
CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82214827	OHQZFMOJQYNEQO-UHFFFAOYSA-N	424.461	1.860	5	1	HDBF	
CN(C)c1cccc(-n2c(CN3CCNCC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	203291047	PIQXYALQCZSYKY-UHFFFAOYSA-N	408.462	1.765	5	1	HDBF	
O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCOC3)c([N+](=O)[O-])cc2c1=O	28868412	MQKKLDUUOLEHMJ-UHFFFAOYSA-N	400.322	1.925	5	1	HDBF	
CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(=O)O	14976338	ULYBEZCDENOMDB-IRXDYDNUSA-N	404.423	1.924	5	1	HDBF	
CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2cccc([N+](=O)[O-])c2)n1	82135794	WCBXQAPCCWUNKW-UHFFFAOYSA-N	412.450	1.812	5	1	HDBF	
C[C@]1(COc2ccc(S(=O)(=O)N3CCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	653786080	LVWXLDIUXWCXAE-QGZVFWFLSA-N	408.436	1.806	5	1	HDBF	
O=C(CCCCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	29466769	STNGRZAJTBNDLZ-UHFFFAOYSA-N	406.615	1.843	5	1	HDBF	
CNCCC[N+](C)(C)CCCNCCCCNCCC[N+](C)(C)CCCNC	67899098	XGMVENDJHAKJRT-UHFFFAOYSA-N	402.716	1.098	5	1	HDBF	
COc1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C2)cc1	1857643492	QJFXBMWLIRGONR-ZIAGYGMSSA-N	407.448	1.949	5	1	HDBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1	82083485	KSUJPJHILKVXJQ-GFCCVEGCSA-N	403.464	1.659	5	1	HDBF	
CCOC(=O)N1CCN(C(=S)SC[C@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1	1772585161	DPGUSUKOEBYRIL-GFCCVEGCSA-N	417.513	1.253	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cccc2c1=O	299824657	WLPVOGZKLDKMFI-GFCCVEGCSA-N	418.381	1.792	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)ncc2[nH]1	587273226	QVGFYNFUPPXGDM-STQMWFEESA-N	422.195	1.662	5	1	HDBF	
Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	4008947	IEVFBIHHVIHAHP-WVMBZCLNSA-N	400.387	1.660	5	1	HDBF	
CC(CO)(CO)NC[C@@H](O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12	40410529	VKSKWKMNABEMKJ-CYBMUJFWSA-N	407.850	1.672	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1	586933962	ADHKVJANAOYTEO-XPTSAGLGSA-N	407.408	1.275	5	1	HDBF	
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3[N+](=O)[O-])cc2N)cc1	45285976	NJMBPUVPTMWXGM-UHFFFAOYSA-N	418.387	1.838	5	1	HDBF	
O=[N+]([O-])c1cnc2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1	586945836	BZMAEHDVYUFFMS-CYBMUJFWSA-N	403.420	1.990	5	1	HDBF	
COc1cc(OC)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1	587273430	TZYYYKYCVPNXTJ-HOTGVXAUSA-N	402.363	1.521	5	1	HDBF	
CN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	1857756280	LDMTYFYLRWWQGZ-GFCCVEGCSA-N	402.436	1.766	5	1	HDBF	
COCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1	82134816	BBACSHGLPLNWOW-UHFFFAOYSA-N	416.438	1.366	5	1	HDBF	
COc1cc(CN=c2nn[nH][nH]2)cc([N+](=O)[O-])c1OCc1ccc([N+](=O)[O-])cc1	473154318	GFDKSGNHQGEMFI-UHFFFAOYSA-N	401.339	1.638	5	1	HDBF	
COc1nccc2c1ccc1nc3cccc(C(=O)N[C@H](CO)CN(C)C)c3nc12	27766306	NTJLQTOGURDRRP-ZDUSSCGKSA-N	405.458	1.992	5	1	HDBF	
N[C@@H](N=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587273186	QNIPFKILZCNRJP-KKUMJFAQSA-N	400.351	1.228	5	1	HDBF	
O=C(O)c1cc(F)cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587273271	RFFORARQPPOUNH-KBPBESRZSA-N	404.310	1.341	5	1	HDBF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1	586935442	HAVXPTDOQNSCLU-UHFFFAOYSA-N	409.811	1.555	5	1	HDBF	
COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3ccc(OC)c(OC)c3)n2O)cc1	263592232	OXQHLEZGWLFXET-UHFFFAOYSA-N	415.406	1.989	5	3	HDBF	
NS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1	473096881	CICQVDGLJUTTTH-UHFFFAOYSA-N	422.806	1.678	5	1	HDBF	
O=C(CN[C@@H]1COc2nc([N+](=O)[O-])cn2C1)Nc1ccc(OC(F)(F)F)cc1	82150579	PKYDDDALKOPRKR-JTQLQIEISA-N	401.301	1.679	5	1	HDBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H]1O	2356404191	GFWMJRATOXLAIF-NXLVEIQXSA-N	409.394	1.181	5	1	HDBF	
O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc(-n4cnnn4)cc3)CC2)cc1	96286282	PUXFTZRRBCWLRB-UHFFFAOYSA-N	407.478	1.973	5	1	HDBF	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)n1	113678437	WHIJATQLCPCKPU-INIZCTEOSA-N	412.328	1.568	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(OC)cc2c1=O	299825379	XXXBANDDAAHOKX-GFCCVEGCSA-N	416.390	1.353	5	1	HDBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=Cc3cc(Br)ccc3B2O)cc1	195065839	DJZMZLFKUAKCTG-UHFFFAOYSA-N	410.014	1.083	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587274047	YEWKGQOSMMYKBC-KBPBESRZSA-N	422.300	1.826	5	1	HDBF	
C[C@H](NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)C(=O)OC(C)(C)C	2001610	HELYCQUDKLBQKN-NSHDSACASA-N	419.438	1.984	5	1	HDBF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(N)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	27518496	YEHVVXMTEUHAGT-MDJCGXDDSA-N	410.494	1.498	5	1	HDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccccc12	253636205	QGFBNJWUHRUQMW-SUHOFRIBSA-O	409.462	1.351	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(c3cccs3)[C@]34O[C@H]3C=CS4)C[C@@H]1[C@H]1O[C@@H]21	473234821	BECIZFBLXAODNP-AWMPRELVSA-N	408.521	1.592	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1	48998593	AYZUTSFWGJOMSQ-FDTGPBLFSA-O	409.462	1.999	5	1	HDBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82148928	SLCKPFGYEODWLX-OAHLLOKOSA-N	424.461	1.990	5	1	HDBF	
CC(=O)NCCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1	82134996	VZIONRSLRHIQSP-UHFFFAOYSA-N	414.422	1.072	5	1	HDBF	
COc1cc(N=c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc(OC)c1	263592054	QXRXCNCUJCYGTK-UHFFFAOYSA-N	415.362	1.840	5	3	HDBF	
O=[N+]([O-])c1cccc(CSc2ncnc3c2ncn3[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1	49069384	KRSIYGVWGKLPRH-CUBALJKWSA-N	417.447	1.302	5	1	HDBF	
CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084162	FUNDZJOZTLICGL-NSHDSACASA-N	410.477	1.636	5	1	HDBF	
O=C1C(=O)N(CCN2CCN(NCc3ccc([N+](=O)[O-])o3)CC2)c2ccc(F)cc21	1772586927	QMMWYSIANGSHTE-UHFFFAOYSA-N	417.397	1.179	5	1	HDBF	
Cc1ccc2c(c1)C(=O)C(=O)N2CCN1CCN(NCc2ccc([N+](=O)[O-])o2)CC1	1772639307	CJHOWRMRTLMXKE-UHFFFAOYSA-N	413.434	1.348	5	1	HDBF	
CCOC(=O)Cn1c(C(=O)OCC)nc2nc3cc(OC)c(OC)cc3cc2c1=O	26647455	WIVHEOVPENESSI-UHFFFAOYSA-N	415.402	1.702	5	1	HDBF	
CN(C)CCN1C(=O)CC[C@@H](N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C1=O	34297404	KIKDXMATJWBRRD-MRXNPFEDSA-N	424.413	1.423	5	1	HDBF	
CC(C)(C)OC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377795119	CWZITNQKFNEEJV-UHFFFAOYSA-N	413.367	1.548	5	1	HDBF	
C[C@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])nc2S1(=O)=O	1772615628	PFXGUQXZQCMMHB-GFCCVEGCSA-N	408.314	1.710	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)nc2[nH]1	587273445	UJUPBJWWIWWWJW-RYUDHWBXSA-N	422.195	1.662	5	1	HDBF	
CCCNC(=O)NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1	95869274	YOAPSACDSUWULK-UMVBOHGHSA-N	412.468	1.225	5	1	HDBF	
CO[C@@H]1[C@@H](CO)O[C@@H](Oc2c3ccccc3c3nccc4cc[nH]c2c43)[C@H](O)[C@H]1O	5853122	OAMQOXOLKRBANR-BOCGTDMKSA-N	410.426	1.702	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Br)ccnc2[nH]1	587274128	YXTPTGSLZFKOSG-RYUDHWBXSA-N	422.195	1.662	5	1	HDBF	
COc1ccc(CCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1	73197381	UIGQECDMPIHSSA-UHFFFAOYSA-O	407.926	1.742	5	1	HDBF	
C/C=C(/C)OC(=O)[C@@H]1CC[N+]2([O-])CC=C(CC(=O)O[C@]3(O)[C@H](C)C(=O)O[C@@H]3C)[C@H]12	238748689	JADUSZFTLCNVGE-SWDPLEKQSA-N	409.435	1.300	5	1	HDBF	
CN(C)[N+](=O)NOc1cc(Nc2ccc(C(=O)O)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]	377794997	YRFQAFFZAQPVRR-UHFFFAOYSA-O	407.319	1.999	5	1	HDBF	
CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82136076	NWTWXZKCNFPOMR-UHFFFAOYSA-N	412.450	1.812	5	1	HDBF	
Nc1ccc2cc3ccc(N)cc3[n+](CCCC(=O)NCCN3C(=O)C=CC3=O)c2c1	64625000	KOHFRVCCPYWDIW-UHFFFAOYSA-O	418.477	1.266	5	1	HDBF	in-vitro
COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	8829534	YBPGPXLGJYHWOT-INIZCTEOSA-N	421.362	1.702	5	3	HDBF	
Cn1nc(C(=O)O)c(I)c1-c1nc2ncc([N+](=O)[O-])cc2[nH]1	587181408	QKGOPNSTEUFURI-UHFFFAOYSA-N	414.119	1.569	5	1	HDBF	
C[C@@]1(COc2ccc(OC(F)(F)F)cc2)Cn2nc([N+](=O)[O-])nc2S1(=O)=O	1772615629	PFXGUQXZQCMMHB-LBPRGKRZSA-N	408.314	1.710	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCN(c2ncccn2)CC1	1772616492	KKFHMBFOUGLUFJ-ZDUSSCGKSA-N	423.524	1.091	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)cc(F)c21	299820948	JJFPVLBWCZTRFJ-SNVBAGLBSA-N	408.317	1.452	5	1	HDBF	
O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@H]1CCCCNC1=O	82084753	XJFKZLJDIXVBBL-ZDUSSCGKSA-N	417.447	1.233	5	1	HDBF	
CCCn1c(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(N)ccc4n(c1=O)c23	101351435	XVWRQOBPKCKSAH-UHFFFAOYSA-N	407.474	1.531	5	1	HDBF	
O=[N+]([O-])c1ccc(-c2nc(CO[C@@H]3O[C@H](CO)[C@H]4OC5(CCCC5)O[C@@H]34)no2)cc1	1772657328	JSFYMJFORLTORD-GFOCRRMGSA-N	419.390	1.933	5	1	HDBF	
CS(=O)(=O)c1cc(-c2nc3c(O)nc(S)nc3[nH]2)cc([N+](=O)[O-])c1Cl	586926285	MZRMIMLHGDPDJV-UHFFFAOYSA-N	401.813	1.979	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)O)cc1	586938769	XPNPINAQFLVNMS-QFYYESIMSA-N	406.420	1.880	5	1	HDBF	
CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82150351	WHCPKJKREDQVBR-UHFFFAOYSA-N	412.450	1.812	5	1	HDBF	
NCCNCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4	96932823	ZFCMGAMNEDWHFA-UHFFFAOYSA-N	421.413	1.888	5	1	HDBF	
COc1ccc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)cc1[N+](=O)[O-]	103247629	GTKPUWUQOXLIMB-UHFFFAOYSA-N	402.323	1.674	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)O)cc1	586938768	XPNPINAQFLVNMS-MGPLVRAMSA-N	406.420	1.880	5	1	HDBF	
CN(C)C(=O)c1ccc2c(c1)[C@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)NCC2	962920504	BMVZWEJFCNQKBH-FQEVSTJZSA-N	417.487	1.731	5	1	HDBF	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1ccc2cc([N+](=O)[O-])ccc21	13152351	VCVRZLCSAQZAAQ-AKHDSKFASA-N	420.374	1.873	5	1	HDBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)NC[C@H]2CCNC2)[C@@H]1c1cccc([N+](=O)[O-])c1	1857553767	MNIFERRVTNGBEK-LIRRHRJNSA-N	414.462	1.728	5	1	HDBF	
CCCCN1CCN(C(=S)SC[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772616552	SRPRPVKRENQKEJ-AWEZNQCLSA-N	401.558	1.896	5	1	HDBF	
CCOC(=O)N1[C@@H](C)CN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C	377818577	IPRWLMDZBJIPBM-QWRGUYRKSA-N	413.367	1.546	5	1	HDBF	
COc1ccc(-n2nnnc2[S@@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169331777	VTHIXFZWIBHACB-NDEPHWFRSA-N	404.364	1.795	5	1	HDBF	
O=[N+]([O-])c1ccc2nnn(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)c2c1	49807436	BHEHQQJOAJYSOE-KRWDZBQOSA-N	401.333	1.797	5	1	HDBF	
COc1cc(/N=c2/c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc(OC)c1	100491508	QXRXCNCUJCYGTK-ZPHPHTNESA-N	415.362	1.840	5	1	HDBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1	587117143	HLFRAEVKMALBRZ-UHFFFAOYSA-N	404.330	1.691	5	1	HDBF	
O=C(Nc1cc(Cn2c(=O)nc(O)c3ccccc32)ccc1[N+](=O)[O-])[C@H]1CCNC1	1772654118	WORXBYMTUUTCOI-ZDUSSCGKSA-N	409.402	1.607	5	1	HDBF	
O=C(O)[C@H]1O[C@@H](Oc2c3ccccc3c3nccc4cc[nH]c2c43)[C@H](O)[C@@H](O)[C@@H]1O	5939936	YVWDYMGJPJKZLU-BHWDSYMASA-N	410.382	1.140	5	1	HDBF	
C[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276523	LNKRONMOMMLGNV-NSHDSACASA-N	406.424	1.298	5	1	HDBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C2)cc1	1857643179	FFLQCZVYYLLBIW-BETUJISGSA-N	422.419	1.849	5	1	HDBF	
COCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1	82134562	WUSHBZCCKQRAFO-UHFFFAOYSA-N	401.423	1.655	5	1	HDBF	
CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95603838	JGDSAQCMPWKIQK-UHFFFAOYSA-N	419.459	1.777	5	1	HDBF	
C[N@+]1(CCCS(=O)(=O)O)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	254132515	PIWAVOGXKRZQCB-WVXKDWSHSA-O	412.528	1.724	5	1	HDBF	
CN(c1ncnc2[nH]ccc12)[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1	1857757545	CFDYEXSKYGIDBR-CYBMUJFWSA-N	402.436	1.766	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCN(c2ccccn2)CC1	1772618361	QMKWHCYLAZUJLX-AWEZNQCLSA-N	422.536	1.696	5	1	HDBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100284855	HZHOIYBSOJAKDR-DQBAKGKISA-N	411.414	1.985	5	1	HDBF	
CN(C)[N+](=O)NOc1cc(Nc2cccc(C(=O)O)c2)c([N+](=O)[O-])cc1[N+](=O)[O-]	377794993	OURYAROUDKCJQA-UHFFFAOYSA-O	407.319	1.999	5	1	HDBF	
CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccccc2[N+](=O)[O-])[C@H](OC(C)=O)[C@@H]1OC(C)=O	82051867	KXJCWSHIGSMGDN-MHUIHPTQSA-N	411.363	1.514	5	1	HDBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587267785	QRVQXOMMINKJBI-LBPRGKRZSA-N	420.451	1.606	5	1	HDBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	40934185	KCJIXAFHIPJKFR-ATNYBXOESA-N	418.431	1.243	5	1	HDBF	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N/C(C)=O	12469924	JBYMTZHPNZIZJG-JJTBQNNYSA-N	410.430	1.452	5	1	HDBF	
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc([N+](=O)[O-])cn3)CC1)C(=O)C2	40934118	XKAFWULZDRLRKV-AUUYWEPGSA-N	422.507	1.837	5	1	HDBF	
O=C(c1cn2c(ccc3sc4ccccc4c(=O)c32)n1)N1CCN(CCO)CC1	27993210	YKKALIFADANDMP-UHFFFAOYSA-N	408.483	1.813	5	1	HDBF	
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCNCC1	82083217	HUEQTQAETNGLHA-LBPRGKRZSA-N	403.464	1.659	5	1	HDBF	
COC(=O)CN1c2ccc([N+](=O)[O-])cc2C(=O)N(Cc2ccccc2)[C@@H]1C(=O)OC	653711383	DUYMXZAUVCSMJX-GOSISDBHSA-N	413.386	1.729	5	1	HDBF	
N=c1c(C(=O)N2CCOCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1	1857641761	BQONTOAMCVGZMY-UHFFFAOYSA-N	415.453	1.649	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757644	QFLGHJKUQZFHRL-TWHAJKEOSA-O	409.462	1.999	5	1	HDBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O	100284847	HZHOIYBSOJAKDR-OVQIEKSOSA-N	411.414	1.985	5	1	HDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3n[nH]c4ccc([N+](=O)[O-])cc34)N2C(=O)[C@@H]2CCCN12	963215448	ALPIYDDUXSNVBN-ZQIUZPCESA-N	407.390	1.042	5	1	HDBF	
COc1ccc(C(=O)CN(CCC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	36387399	FANOEONTUAWTLY-UHFFFAOYSA-N	422.415	1.952	5	3	HDBF	
CNS(=O)(=O)N1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1	586955011	RJSZCWCNBBEOLH-UHFFFAOYSA-N	418.273	1.877	5	1	HDBF	
CS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc([N+](=O)[O-])cc2)cc1	40972562	RCRMPBCTMFFYJH-KRWDZBQOSA-N	409.464	1.538	5	1	HDBF	
CNS(=O)(=O)c1c(OC)cc(OC)c2c(=O)c3cc(OC)c(OC)cc3oc12	49070733	VDQDBJXUVCJIER-UHFFFAOYSA-N	409.416	1.889	5	1	HDBF	
CC=C(C)OC(=O)[C@@H]1CC[N@+]2([O-])CC=C(CC(=O)O[C@]3(O)[C@H](C)OC(=O)[C@H]3C)[C@H]12	2356320145	JADUSZFTLCNVGE-AWDDBVNBSA-N	409.435	1.300	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1	586933963	ADHKVJANAOYTEO-YMTOWFKASA-N	407.408	1.275	5	1	HDBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1	587265408	DFWKNWVUBNYACE-MLUIRONXSA-N	407.368	1.698	5	1	HDBF	
CC(=O)O[C@@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5733142	FFSQKNAKTIJTOA-MKXGPGLRSA-N	422.390	1.109	5	3	HDBF	
N[C@H](N=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587273189	QNIPFKILZCNRJP-SOUVJXGZSA-N	400.351	1.228	5	1	HDBF	
O=C1[C@H]2CCCCN2C(=O)N1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	13760060	VPVUBBZSBOCTFQ-GOSISDBHSA-N	401.467	1.924	5	1	HDBF	
CCN1C(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21	64446591	VFRCIUMXOFUYHC-UHFFFAOYSA-N	419.463	1.890	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(OC)cc2c1=O	299825383	XXXBANDDAAHOKX-LBPRGKRZSA-N	416.390	1.353	5	1	HDBF	
O=C(Oc1c[nH]c2ccc3cc4ccccc4cc3c12)[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	2356404192	GFWMJRATOXLAIF-XWSHUIEDSA-N	409.394	1.181	5	1	HDBF	
CN([C@@H]1COc2nc([N+](=O)[O-])cn2C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1	82156662	SAQARSLLNADLMX-VIFPVBQESA-N	422.341	1.772	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](C)O)cc1	586934333	GDVXUQPQURKHQC-OTYXRUKQSA-N	407.408	1.275	5	1	HDBF	
O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCCC1	95869445	RDBFTRUAEFWAJK-BFYDXBDKSA-N	423.491	1.822	5	1	HDBF	
O=[N+]([O-])c1cc([C@H](NCc2ccccc2)P(=O)(O)O)c2nc(O)c(O)nc2c1	13440491	IPCHEUUNGBEQKN-MRXNPFEDSA-N	406.291	1.915	5	1	HDBF	
CN(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1	95601826	GLOCRLJOEKEMTJ-UHFFFAOYSA-N	405.432	1.781	5	1	HDBF	
CN(C)C(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587274081	YHACYEWNTXULFM-HOTGVXAUSA-N	413.390	1.206	5	1	HDBF	
NC(=O)c1cc(N2CCC(c3nc4c(O)nc(S)nc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263663	YTGMFQSGGCCSPW-UHFFFAOYSA-N	415.435	1.738	5	1	HDBF	
O=c1nc2sc([N+](=O)[O-])cn2c2c1[C@@H](c1ccccc1[N+](=O)[O-])NC(=S)N2	169729540	LJFOTPKXUDOOMA-SNVBAGLBSA-N	404.389	1.962	5	1	HDBF	
O=C(O)Cn1cc(I)c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n1	587186138	SEVALUIYZRFZGC-UHFFFAOYSA-N	414.119	1.419	5	1	HDBF	
O=C(NCc1ccc(OC(F)(F)F)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1	82152357	NWISJMZZKKPCCW-JTQLQIEISA-N	401.301	1.950	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1	253636201	QFLGHJKUQZFHRL-JBJBFBLISA-O	409.462	1.999	5	1	HDBF	
O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	195363022	YOAVCFSGOGJDHZ-BBHZHJQOSA-N	418.789	1.781	5	1	HDBF	
COc1cc2c(cc1OC)[C@@]13CC[N@+]4(N)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	299810454	YEHVVXMTEUHAGT-IAKIMTRFSA-N	410.494	1.498	5	1	HDBF	
COCCCNc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1	82135922	XNBQPBXPFLLEQG-UHFFFAOYSA-N	416.438	1.366	5	1	HDBF	
N[C@@H](CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587273928	XGGRNMWSXMRGBH-ZDUSSCGKSA-N	419.419	1.616	5	1	HDBF	
O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O	299823219	TVHCQDGKXDZFFU-QMMMGPOBSA-N	410.745	1.658	5	1	HDBF	
O=[N+]([O-])c1ccc(-n2nnnc2[S@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169331780	AFJSNXDKYVNCJY-GDLZYMKVSA-N	419.335	1.695	5	1	HDBF	
CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2Cc3ccccc3C2)cc1[N+](=O)[O-]	95601068	GOXJNHZLWQKOJP-UHFFFAOYSA-N	417.443	1.661	5	1	HDBF	
CC=C(C)OC(=O)[C@@H]1CC[N@+]2([O-])CC=C(CC(=O)O[C@]3(O)[C@H](C)OC(=O)[C@@H]3C)[C@@H]12	2356320148	JADUSZFTLCNVGE-PALIEKRSSA-N	409.435	1.300	5	1	HDBF	
CC(CO)(CO)NC[C@H](O)COc1cccc2c(=O)c3ccc(Cl)cc3oc12	40410526	VKSKWKMNABEMKJ-ZDUSSCGKSA-N	407.850	1.672	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](C)O)cc1	586934335	GDVXUQPQURKHQC-YMTOWFKASA-N	407.408	1.275	5	1	HDBF	
CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82136083	DPLLDLUWQFKZME-CQSZACIVSA-N	412.450	1.845	5	1	HDBF	
CN(C)CCNCc1nn2c3cccc(O)c3c(=O)c3c(NCCN(C)C)ccc1c32	101156641	UBQWYSWTUZHICS-UHFFFAOYSA-N	422.533	1.769	5	1	HDBF	
O=C1[C@H]2CCCN2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	13760062	DNDDBNQMBXMCHY-GOSISDBHSA-N	401.467	1.924	5	1	HDBF	
CN1C(=O)[C@](O)(Cc2ccccc2)NC(=O)[C@@H]1Cc1c[nH]c2cccc([N+](=O)[O-])c12	14765783	CRDXCBHAFGPWRN-LAUBAEHRSA-N	408.414	1.507	5	1	HDBF	biogenic
CN(C)CCOCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084923	BVSPESZCDONLAR-UHFFFAOYSA-N	422.463	1.570	5	1	HDBF	
COc1cc2c(=O)oc3c(OC)c(OS(=O)(=O)O)cc4c(=O)oc(c1OC)c2c34	238742541	ZDODLZJNTUVFCL-UHFFFAOYSA-N	424.339	1.698	5	1	HDBF	
O=C([C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCNCC1	82085377	FZMMEIAPRACXDQ-INIZCTEOSA-N	415.475	1.755	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12	95584977	YVQKPTGBFBYTSB-ZJUUUORDSA-N	404.389	1.559	5	1	HDBF	
Cc1c2ccn([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccccc12	377376569	QGFBNJWUHRUQMW-COWRSKPRSA-N	408.454	1.932	5	1	HDBF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3cncc([N+](=O)[O-])c3[nH]2)c1	587230573	IDLZOHPRBFFJQX-UHFFFAOYSA-N	412.406	1.814	5	1	HDBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccc(C(F)(F)F)cc3)n1)C2	45246083	ZSZDASYUGWJWOH-NSHDSACASA-N	411.300	1.764	5	1	HDBF	
Cc1c2ccn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1nc1ccccc12	377376571	QGFBNJWUHRUQMW-SUHOFRIBSA-N	408.454	1.932	5	1	HDBF	
CCOC(=O)N1[C@H](C)CN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	377818575	IPRWLMDZBJIPBM-GHMZBOCLSA-N	413.367	1.546	5	1	HDBF	
CCOC(=O)N1CCN(C(=S)SC[C@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772625848	ZBMMSUUAFXNXDC-GFCCVEGCSA-N	417.513	1.253	5	1	HDBF	
C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)COC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@H]2O3	238758376	TXXHEKXTAGPLRN-PGYYLOSRSA-N	408.471	1.840	5	1	HDBF	
COC(=O)CN1c2ccc([N+](=O)[O-])cc2C(=O)N(Cc2ccccc2)[C@H]1C(=O)OC	653711392	DUYMXZAUVCSMJX-SFHVURJKSA-N	413.386	1.729	5	1	HDBF	
CN(C)CCNc1ccc2c(=O)n(CCN(C)C)c(=O)n3c4ccccc4c(=O)c1c23	5581955	ARUURMIALVSXPW-UHFFFAOYSA-N	421.501	1.101	5	1	HDBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCNCC1	82083221	HUEQTQAETNGLHA-GFCCVEGCSA-N	403.464	1.659	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O	299822400	QOSQWLWMNMTTQK-LLVKDONJSA-N	422.344	1.622	5	1	HDBF	
N[C@@H](CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271332	FHHDBTNLUITTBK-LBPRGKRZSA-N	410.390	1.701	5	1	HDBF	
O=c1n(CCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCCC2	169714900	DIJVTWSTMHQSKL-UHFFFAOYSA-N	401.467	1.812	5	1	HDBF	
CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95601813	LYXZQXBYTWTCAY-UHFFFAOYSA-N	423.422	1.526	5	1	HDBF	
Cn1nc(C(=O)O)c(I)c1-c1nc2c([N+](=O)[O-])cncc2[nH]1	587181251	PKMYQNGIIQJJNE-UHFFFAOYSA-N	414.119	1.569	5	1	HDBF	
CC(=O)NCSC[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(N)=O	82084274	OPOKHNILOLDPMG-NSHDSACASA-N	423.476	1.129	5	1	HDBF	
N[C@@H]1NC(=S)NN=C1n1c(-c2ccccc2)c(C(=O)O)c2cc([N+](=O)[O-])ccc21	169346672	NTAAJWFAIZHHAF-OAHLLOKOSA-N	410.415	1.839	5	1	HDBF	
O=C([C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCNCC1	82085271	XENYYWFAYZNIJC-INIZCTEOSA-N	415.475	1.755	5	1	HDBF	
O=C1N=c2cc([N+](=O)[O-])ccc2=C1c1[nH]c2ccc(Br)cc2c1NO	169729438	KHPDVYSXDUWNIN-UHFFFAOYSA-N	401.176	1.999	5	1	HDBF	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	1772571127	CELZFZCDEQUYRU-CYBMUJFWSA-N	413.302	1.341	5	1	HDBF	
O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc12	586945976	FBRDJXUQLYVOHC-GFCCVEGCSA-N	403.420	1.990	5	1	HDBF	
O=C(c1c(F)cccc1-n1nccn1)N1C[C@@H]2CN(c3ncc([N+](=O)[O-])cn3)C[C@@H]2C1	116822842	PWDDOGOFADEXFF-BETUJISGSA-N	424.396	1.313	5	1	HDBF	
O=c1nc2sc([N+](=O)[O-])cn2c2c1[C@H](c1ccccc1[N+](=O)[O-])NC(=S)N2	169729541	LJFOTPKXUDOOMA-JTQLQIEISA-N	404.389	1.962	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@H]12	95585702	RVERFGZZMHNBPW-UWVGGRQHSA-N	404.389	1.559	5	1	HDBF	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@@H]1c1ncc([N+](=O)[O-])n1C	40862702	ZGHQNHZJJONXEA-INIZCTEOSA-N	405.455	1.995	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)c2c(F)cccc2c1=O	299824661	WLPVOGZKLDKMFI-LBPRGKRZSA-N	418.381	1.792	5	1	HDBF	
CCCn1c(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(OC)ccc4n(c1=O)c23	100965616	RBUJDBURFIAMKX-UHFFFAOYSA-N	422.485	1.958	5	1	HDBF	
COc1ccc([N+](=O)[O-])c(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1	4177399	ZWNUTCUEPHKBLP-OJXGSEEGSA-N	400.391	1.532	5	1	HDBF	
N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)O	38559785	GVGIRMXNFKCASG-HOTGVXAUSA-N	422.438	1.394	5	1	HDBF	
CC(=O)N[C@H](CSc1c2nc3cc(C=O)ccc3oc-2cc(=O)c1N)C(=O)O	15264115	CBXHEDPBKOZZSI-LLVKDONJSA-N	401.400	1.369	5	1	HDBF	biogenic,in-vitro
Cc1c2cc[n+](C)cc2c(CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2c3ccccc3n(C)c12	16942373	ZNXXZAZGDYGHGN-JFTIXFDTSA-N	423.489	1.573	5	1	HDBF	
O=C([C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCNCC1	82085376	FZMMEIAPRACXDQ-MRXNPFEDSA-N	415.475	1.755	5	1	HDBF	
CCOC(=O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587273810	VFDFJBUSSULMBX-HOTGVXAUSA-N	414.374	1.681	5	1	HDBF	
Cc1c2cc[n+](C)cc2c(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2c3ccccc3n(C)c12	17142349	ZNXXZAZGDYGHGN-OUJCMCIWSA-N	423.489	1.573	5	1	HDBF	
C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H](O)COc1ccccc1	28264836	BNIIKZSXGANDNR-LSDHHAIUSA-N	409.464	1.291	5	1	HDBF	
O=[N+]([O-])c1cncc2nc(-c3nc(O)nc(O)c3I)[nH]c12	587181849	FVFNTQULTLQVGK-UHFFFAOYSA-N	400.092	1.339	5	1	HDBF	
COC(=O)C1(C(=O)OC)C/C=C/CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	95571289	CCSNUJZXCUJSJS-AATRIKPKSA-N	412.420	1.268	5	1	HDBF	
CCOC(=O)CNc1ncc([N+](=O)[O-])c(N(CC(=O)OCC)Cc2ccccc2)n1	653859626	YQUHMIIBZCXBEM-UHFFFAOYSA-N	417.422	1.930	5	1	HDBF	
COCCCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1	82134494	WSQBJCYFDHOFHF-UHFFFAOYSA-N	401.423	1.973	5	1	HDBF	
N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(N3CCNCC3)c([N+](=O)[O-])cc12	653792931	QXCWBJRIZHSNHP-UHFFFAOYSA-N	418.421	1.003	5	1	HDBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(OS(N)(=O)=O)c1	1857548638	JVBMOBYCRCNLDC-KRWDZBQOSA-N	404.404	1.875	5	1	HDBF	
N[C@@H](CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587273814	WCBTYPKXXJSROV-AWEZNQCLSA-N	407.394	1.345	5	1	HDBF	
O=C(Cc1ccc(-n2cnnn2)cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	96286279	VWVVYFJIUBMXBZ-UHFFFAOYSA-N	421.461	1.500	5	1	HDBF	
CS(=O)(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587273922	XFQWABSQNFVDPR-AWEZNQCLSA-N	417.447	1.773	5	1	HDBF	
Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	4008948	IEVFBIHHVIHAHP-GGNLRSJOSA-N	400.387	1.660	5	1	HDBF	
COc1ccc(S(=O)(=O)N(C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	26268166	CBLQTJFUGKHWOD-UHFFFAOYSA-N	401.422	1.117	5	1	HDBF	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	27556231	BIGHWYZYDKTIHG-QGZVFWFLSA-N	411.370	1.865	5	1	HDBF	
O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1	27858457	GHGUDSMCAKQDNU-ROUUACIJSA-N	411.414	1.898	5	1	HDBF	
COC(=O)c1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587272152	KWGYSPZOALKVAZ-GJZGRUSLSA-N	400.347	1.291	5	1	HDBF	
CN(C)CCNC(=O)c1ccc(C(=O)NCCN(C)C)c2nc3ccccc3cc12	5808497	JSYWFAVCTMQHAG-UHFFFAOYSA-N	407.518	1.971	5	1	HDBF	
C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@@H](O)COc1ccccc1	28264839	BNIIKZSXGANDNR-HUUCEWRRSA-N	409.464	1.291	5	1	HDBF	
CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCNCC1	82082255	NHTRPIMUAHONBD-MRXNPFEDSA-N	417.491	1.905	5	1	HDBF	
O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCC1	95869253	DBTATHSHBLNTAX-IIAWOOMASA-N	409.464	1.432	5	1	HDBF	
O=C(O)c1ccc(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1	141083932	YWSTXBCPHOEKLS-NSHDSACASA-N	417.326	1.924	5	1	HDBF	
O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	103199398	YAWNDDLGXQZPQH-CQSZACIVSA-N	416.371	1.638	5	1	HDBF	
NS(=O)(=O)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1	103269635	QENORYOIJXQFHB-UHFFFAOYSA-N	416.444	1.859	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12	95584979	YVQKPTGBFBYTSB-UWVGGRQHSA-N	404.389	1.559	5	1	HDBF	
CN1C(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21	64417168	NOPPUEUIYPGAOE-UHFFFAOYSA-N	419.419	1.140	5	1	HDBF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586959710	SYTVRMUZAFVPDH-OAHLLOKOSA-N	407.364	1.848	5	1	HDBF	
N[C@@H](Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1CCC(=O)O)C(=O)O	299829646	UVWRLBXLBJBSEP-INIZCTEOSA-N	401.375	1.819	5	1	HDBF	
O=C1CSCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1F	653793651	IVZWATYOXWIPGB-LBPRGKRZSA-N	408.411	1.988	5	1	HDBF	
CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	1857548345	HBPHIUXKEUWKLO-QGZVFWFLSA-N	404.404	1.875	5	1	HDBF	
C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cccc(C(=O)O)c1	13863141	OASHABONOBLALZ-NSHDSACASA-N	408.388	1.957	5	1	HDBF	
CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC[C@@H](O)CO	2483833	DVNBTKLNSVCHRX-SECBINFHSA-N	407.379	1.359	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(C)cc2c1=O	299824427	VLLVFAVRWFAWIN-CYBMUJFWSA-N	400.391	1.652	5	1	HDBF	
O=[N+]([O-])C1=CC([N+](=O)[O-])=C(Nc2nc3cc([N+](=O)[O-])ccc3s2)C2=[N+]([O-])ON[C@H]12	299857283	FEDAPKAZYDEUIN-LLVKDONJSA-N	421.307	1.049	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCN(c2ccccn2)CC1	1772618362	QMKWHCYLAZUJLX-CQSZACIVSA-N	422.536	1.696	5	1	HDBF	
CSc1ccc(S(=O)(=O)NCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-]	586940716	DDOGINGAGYSGAD-UHFFFAOYSA-N	424.420	1.975	5	1	HDBF	
CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O	299823146	SMFUOOPUOXXZDF-GFCCVEGCSA-N	404.354	1.483	5	1	HDBF	
CN1CCN(CCOc2ccc3cc4oc(N5CCOCC5)nc(=O)c4cc3c2)CC1	72176214	LNKMISAJHWCYCR-UHFFFAOYSA-N	424.501	1.804	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1	586934363	GQZADSKHWFBBDD-ZUZCIYMTSA-N	406.420	1.880	5	1	HDBF	
CN1CCN(CCNC(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1	169349323	QUYXHGPHIJMFOU-UHFFFAOYSA-N	415.497	1.978	5	1	HDBF	
Cn1c(N2CCN(CCCCc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O	27074053	APGROZOYCWICMT-UHFFFAOYSA-N	401.467	1.137	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(F)cc2c1=O	299823279	UFTUNGILFNTWOO-CYBMUJFWSA-N	418.381	1.792	5	1	HDBF	
NCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCN)nn5)nc4c3n2)nn1	103257639	NPAIQUWYEDSHRV-UHFFFAOYSA-N	400.450	1.217	5	1	HDBF	
CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(N)=O)c3[nH]2)cc1[N+](=O)[O-]	586942046	ZPFYTQRTGQBQLB-UHFFFAOYSA-N	421.460	1.770	5	1	HDBF	
O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	1772571129	CELZFZCDEQUYRU-ZDUSSCGKSA-N	413.302	1.341	5	1	HDBF	
O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2)cc1	1772632928	SYWUNSNUUBZPLO-ZBRFXRBCSA-N	411.794	1.094	5	1	HDBF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586929390	BEVBFGNUQXLHFK-UHFFFAOYSA-N	407.364	1.914	5	1	HDBF	
Nc1cc(N)nc(SCCCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1	26833629	IRLJHYLDVOZYJP-UHFFFAOYSA-N	403.512	1.849	5	1	HDBF	
CC(=O)O[C@H]1CO[C@@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13152352	VCVRZLCSAQZAAQ-ZSYWTGECSA-N	420.374	1.873	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc3c(cc2[nH]1)OCCO3	587273365	RWDGTMYUTCGBCL-HOTGVXAUSA-N	400.347	1.275	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccnc(Br)c2[nH]1	587273980	XMILXUGRUOCXHJ-RYUDHWBXSA-N	422.195	1.662	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(C3=C[C@H]4O[C@@H]4S3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21	473235334	YEAMHTXDSGCXQR-HBLAGYNKSA-N	408.521	1.592	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(C3=C[C@@H]4O[C@H]4S3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21	473235335	YEAMHTXDSGCXQR-HMAQFJIHSA-N	408.521	1.592	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H](C)O)cc1	586934334	GDVXUQPQURKHQC-XPTSAGLGSA-N	407.408	1.275	5	1	HDBF	
CCOC(=O)Cc1csc(NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)n1	27851288	SWARRCBJIPGIEF-UHFFFAOYSA-N	405.392	1.299	5	1	HDBF	
O=[N+]([O-])c1ccc2c(c1)nnn2C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F	49807623	LBYHCXDYSHTBJO-KRWDZBQOSA-N	401.333	1.797	5	1	HDBF	
COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4049221	UZTNOQCHEUMMOQ-HKUYNNGSSA-N	415.402	1.812	5	1	HDBF	
CN(C(=O)CNC(=O)CN)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl	26649370	PZGAFHMKNBJRIK-UHFFFAOYSA-N	404.810	1.517	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)O)cc1	586938770	XPNPINAQFLVNMS-QLJPJBMISA-N	406.420	1.880	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(Br)cc1	72116812	AFIJGEFBZOCXKC-UHFFFAOYSA-N	403.214	1.367	5	1	HDBF	
CC(=O)O[C@H]1CO[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13139321	FFSQKNAKTIJTOA-ZSYWTGECSA-N	422.390	1.109	5	1	HDBF	
O=C(O)CCNC(=O)c1cc(C(=O)Nc2ccc3c(c2)CNCC3)cc([N+](=O)[O-])c1	36269317	VGPKJRDGGNBIGH-UHFFFAOYSA-N	412.402	1.697	5	1	HDBF	in-vivo
CC[N@@+]1([O-])C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@H]41	299807895	BLIJXCZSTVKOIG-ZFOWEVLQSA-N	407.507	1.198	5	1	HDBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc(OCCO)cc2)CC1	95784654	PJUQWGKWDIQCNX-UHFFFAOYSA-N	421.475	1.472	5	1	HDBF	
CCCCCCN1C[C@H](S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(=O)NC1=O	618015043	VAMWALKALUFSKE-AWEZNQCLSA-N	416.431	1.976	5	1	HDBF	
CN1C(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)=NS(=O)(=O)c2ccccc21	64409750	KKFIFKDOXBYNFL-UHFFFAOYSA-N	421.504	1.969	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O	299823150	SMFUOOPUOXXZDF-LBPRGKRZSA-N	404.354	1.483	5	1	HDBF	
NC(=O)[C@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1	72180034	NNFAKKMEVZNOAL-JOYOIKCWSA-N	401.301	1.267	5	1	HDBF	
C[C@]1(CN2CCN(C(=O)c3ccc(F)cc3)CC2)CCn2cc([N+](=O)[O-])nc2O1	1772574942	GAWINHYAXWOVIU-LJQANCHMSA-N	403.414	1.930	5	1	HDBF	
C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(C(=O)O)cc1	26380273	XNEMZTXZYNPGGJ-LLVKDONJSA-N	408.388	1.957	5	1	HDBF	
NCCN(CCO)Cc1c2ccccc2c(CN(CCN)CCO)c2ccccc12	28762165	YBVMIDSIISHLTP-UHFFFAOYSA-N	410.562	1.499	5	1	HDBF	
CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OS(=O)(=O)O)C=C[C@H]4[C@@H](C2)[N+](C)(C)CC[C@]314	36221941	QNHZSCHPVZZALI-BKRJIHRRSA-O	422.479	1.390	5	1	HDBF	in-vivo
O=[N+]([O-])c1ccc2c(c1)nnn2C[C@](O)(Cn1cncn1)c1ccc(F)cc1F	49807624	LBYHCXDYSHTBJO-QGZVFWFLSA-N	401.333	1.797	5	1	HDBF	
COC(=O)[C@]1(O)C[C@@]23CCC[N+]4([O-])CC[C@@]5(c6ccc7c(c6N[C@]15CC2)OCO7)[C@H]34	33832629	FGWXGGUKOBGFEE-ZLVNALNYSA-N	414.458	1.786	5	1	HDBF	biogenic,in-vitro
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1	49087501	HPWYOPIKLAUERJ-CUBALJKWSA-N	417.447	1.302	5	1	HDBF	
CN(C)S(=O)(=O)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12	586920750	QKSBEUFHCXOSAV-UHFFFAOYSA-N	424.460	1.695	5	1	HDBF	
COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4049220	UZTNOQCHEUMMOQ-PKOBYXMFSA-N	415.402	1.812	5	1	HDBF	
O=C(OCCF)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377815890	BTSYXQUSQNNEJX-UHFFFAOYSA-N	417.330	1.109	5	1	HDBF	
CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@@H]([N+](=O)[O-])[C@@H]3O	169342999	JMEUZPMJFFJGIK-UYAOXDASSA-N	420.418	1.485	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]12	95585700	RVERFGZZMHNBPW-ZJUUUORDSA-N	404.389	1.559	5	1	HDBF	
C/C=C(/C)C(=O)O[C@H]1CC[N@@+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC)[C@H]12	299848020	BYULTWMIZDJPPV-QHEMRMLFSA-N	411.495	1.857	5	1	HDBF	
N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	40431020	JBYINHUFFQFDSO-UHFFFAOYSA-N	402.367	1.919	5	1	HDBF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c(OC)ccc3nc2-1	26402258	OYYBCAZAGJZTCD-NRFANRHFSA-N	423.381	1.996	5	1	HDBF	
O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	101665314	NAERQYNXVOZYOS-JYBIWHBTSA-N	410.474	1.520	5	1	HDBF	
CC(=O)O[C@H]1CO[C@H](n2ccc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13152353	VCVRZLCSAQZAAQ-RDGPPVDQSA-N	420.374	1.873	5	1	HDBF	
O=C(N[C@@H](CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)O)OCc1ccccc1	2178320017	YEOMRGSEWFXFKS-ZDUSSCGKSA-N	413.342	1.570	5	1	HDBF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	195376521	GSMJIXGYXGKFDC-IPZZXCBHSA-N	424.457	1.441	5	1	HDBF	
CC(=O)O[C@@H](C)[C@](C)(O)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)C=C(C)C)[C@@H]12	238751748	DBBYNGRBDFUXLQ-OFHHVYFDSA-N	411.451	1.137	5	1	HDBF	
C[N@@+]1(CCCS(=O)(=O)O)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	254132512	PIWAVOGXKRZQCB-KWLWEVDOSA-O	412.528	1.724	5	1	HDBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587265412	UCAWGBWGVRQZMY-ANLVUFKYSA-N	408.762	1.721	5	1	HDBF	
CNS(=O)(=O)N1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1	586954317	GVARZCGPKZGHOX-UHFFFAOYSA-N	418.273	1.877	5	1	HDBF	
CC=C(C)OC(=O)[C@@H]1CC[N@+]2([O-])CC=C(CC(=O)O[C@]3(O)[C@H](C)OC(=O)[C@H]3C)[C@@H]12	2356320147	JADUSZFTLCNVGE-DAGFTQMFSA-N	409.435	1.300	5	1	HDBF	
COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)Cn1nnn(-c2ccc(OC)cc2)c1=O	98082369	SYFJFKPXHTWUPH-SDNWHVSQSA-N	411.374	1.602	5	1	HDBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@H]3C2)cc1	1857643181	FFLQCZVYYLLBIW-STQMWFEESA-N	422.419	1.849	5	1	HDBF	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCNc3ccccc32)cc1[N+](=O)[O-]	64704920	NNZDTUZKJHTVHQ-UHFFFAOYSA-N	419.415	1.614	5	1	HDBF	
O=C([C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCNCC1	82085270	XENYYWFAYZNIJC-MRXNPFEDSA-N	415.475	1.755	5	1	HDBF	
COc1c2c(=O)c3cccc(O)c3c(=O)c2c(O)c2c(=O)c3c(O)cccc3c(=O)c12	95099267	PCWFPMDNNIKYSJ-UHFFFAOYSA-N	416.341	1.741	5	1	HDBF	biogenic,in-vitro
C[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277406	VMISNPWMQXJJOP-CYBMUJFWSA-N	413.438	1.027	5	1	HDBF	
CN1C(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)=NS(=O)(=O)c2ccccc21	64416745	WNCNIHHRHXZERQ-UHFFFAOYSA-N	405.436	1.500	5	1	HDBF	
Cc1c2ccn([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccc(O)cc12	377829935	NKTMBMKUWRNUMI-CZIXKKEKSA-N	424.453	1.638	5	1	HDBF	
CS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)nn2)CC1	66103071	UBXYTXVODIJYKH-UHFFFAOYSA-N	419.423	1.500	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCN(c2ncccn2)CC1	1772616491	KKFHMBFOUGLUFJ-CYBMUJFWSA-N	423.524	1.091	5	1	HDBF	
CC(=O)N1N=C(c2ccc(-n3nc(C)n(N)c3=O)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	103220474	OEQVROPVGXYRJC-LJQANCHMSA-N	421.417	1.662	5	1	HDBF	
Cc1c2cc[n+](C)cc2c(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2c3ccccc3n(C)c12	105424203	ZNXXZAZGDYGHGN-QLBRKBSLSA-N	423.489	1.573	5	1	HDBF	
OC[C@H]1O[C@@H](c2n[nH]c(-c3ccc4cc5ccccc5cc4c3)n2)[C@H](O)[C@@H](O)[C@@H]1O	1857630588	PREPOTGODMDPMY-OUUBHVDSSA-N	407.426	1.293	5	1	HDBF	
CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82136081	DPLLDLUWQFKZME-AWEZNQCLSA-N	412.450	1.845	5	1	HDBF	
CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1N1CCc2cc([N+](=O)[O-])ccc21	105504639	FFSQKNAKTIJTOA-XWSJACJDSA-N	422.390	1.109	5	3	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(C)cc2c1=O	299824432	VLLVFAVRWFAWIN-ZDUSSCGKSA-N	400.391	1.652	5	1	HDBF	
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(c3cccs3)[C@@]34O[C@@H]3C=CS4)C[C@@H]1[C@H]1O[C@@H]21	473234835	BECIZFBLXAODNP-ITNJZHNZSA-N	408.521	1.592	5	1	HDBF	
CCOC(=O)N1C[C@H](C)N([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	377812594	OTJJFNMXZQFCDM-MNOVXSKESA-N	413.367	1.546	5	1	HDBF	
COc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@H](O)Cn1c([N+](=O)[O-])cnc1C	299823204	SWMQLQOLXXQOOG-NSHDSACASA-N	402.363	1.183	5	1	HDBF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149656	NMOLTZDMEBFBOK-UHFFFAOYSA-N	424.461	1.956	5	1	HDBF	
COC(=O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1	103248258	LZEXOJUALAKFGW-UHFFFAOYSA-N	402.388	1.882	5	1	HDBF	
COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)c1	587229937	DQWYPYFCBRDJNU-UHFFFAOYSA-N	412.406	1.814	5	1	HDBF	
CC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2cc(F)c([N+](=O)[O-])cc21	13799474	UFGQJNDBSONBNZ-UHFFFAOYSA-N	408.434	1.236	5	1	HDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3n[nH]c4ccc([N+](=O)[O-])cc34)N2C(=O)[C@@H]2CCCN12	963215446	ALPIYDDUXSNVBN-GRDNDAEWSA-N	407.390	1.042	5	1	HDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccccc12	253636206	QGFBNJWUHRUQMW-UYOMMXDPSA-O	409.462	1.351	5	1	HDBF	
C[C@@]1(CN2CCN(C(=O)c3ccc(F)cc3)CC2)CCn2cc([N+](=O)[O-])nc2O1	1772574941	GAWINHYAXWOVIU-IBGZPJMESA-N	403.414	1.930	5	1	HDBF	
CC[N+]1([O-])C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]1[C@H]([C@@H](O)[C@@H]32)[C@@]1(O)CC[C@H]2C[C@@H]4[C@@H]1C(=O)O2	101676270	BLIJXCZSTVKOIG-YWRMGLTHSA-N	407.507	1.198	5	1	HDBF	
CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCNCC1	82082408	HFVMHTQTXROPDD-MRXNPFEDSA-N	417.491	1.905	5	1	HDBF	
COCCO/C(O)=C1\C(C)=Nc2cc(=O)[nH]c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	101852102	QUCVZBITYZOCMY-UYTDBDHRSA-N	402.363	1.573	5	1	HDBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(OS(N)(=O)=O)cc1	1857555926	SJRBAZVUQDKBBC-KRWDZBQOSA-N	404.404	1.875	5	1	HDBF	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCN1CCN(c2ncccn2)CC1	29252589	CSTILXPGLBTWAF-UHFFFAOYSA-N	410.434	1.583	5	1	HDBF	
Cc1c2ccn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1nc1ccccc12	377376570	QGFBNJWUHRUQMW-QRYVVUSGSA-N	408.454	1.932	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587273154	FJERCGYLDGAFTO-UHFFFAOYSA-N	406.424	1.045	5	1	HDBF	
CC(=O)O[C@H]1CO[C@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	13139323	FFSQKNAKTIJTOA-RDGPPVDQSA-N	422.390	1.109	5	1	HDBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587274952	XRAMYPAWRXUHRL-GFCCVEGCSA-N	420.451	1.492	5	1	HDBF	
C[C@]1(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1	653787724	JUBSIXTVXTWHJF-QGZVFWFLSA-N	424.435	1.042	5	1	HDBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1	82083483	KSUJPJHILKVXJQ-LBPRGKRZSA-N	403.464	1.659	5	1	HDBF	
C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O	101146066	IJTIAMMDASPHNP-CFXSOUKZSA-N	400.387	1.740	5	1	HDBF	
NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc([N+](=O)[O-])cc12	169347357	ZKPJNNTVWCMXHQ-HNNXBMFYSA-N	409.431	1.240	5	1	HDBF	
O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Nc1ccncc1	36338526	DTWMIIXDZMYBFK-UHFFFAOYSA-N	421.373	1.632	5	1	HDBF	
COc1ccc(-n2nnnc2S(=O)(=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169331783	IZKWRDYKJFQWKZ-UHFFFAOYSA-N	420.363	1.461	5	1	HDBF	
COC(=O)CN(C)c1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1[N+](=O)[O-]	653901703	GMEUSFKNGOUILB-UHFFFAOYSA-N	407.383	1.763	5	1	HDBF	
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCN1CCOCC1	28229179	OZDDAOKXOIKAGT-UHFFFAOYSA-N	400.347	1.584	5	1	HDBF	
Cc1cc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1[N+](=O)[O-]	587273418	SXLXBNNXZHLKKE-GJZGRUSLSA-N	401.335	1.721	5	1	HDBF	
O=C(O)C1(c2ccccc2)CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1	27845213	KRKZJRZCVGMDHC-UHFFFAOYSA-N	424.413	1.743	5	1	HDBF	
COc1cc(N)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1	29207956	OXPDBLCRSRNSKS-HNNXBMFYSA-N	400.435	1.816	5	1	HDBF	
CC(=O)O[C@]1(C)C(=O)COC2=CC[N+]3(C)CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@H]2O3	238743413	UMYQBHPZRJMMMT-XDXRRDORSA-N	424.470	1.051	5	1	HDBF	
COCCNC(=O)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1	101889479	VSQVTXVFKVQVPB-HOCLYGCPSA-N	412.446	1.756	5	1	HDBF	
CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@H]([N+](=O)[O-])[C@H]3O	169343012	JMEUZPMJFFJGIK-ICSRJNTNSA-N	420.418	1.485	5	1	HDBF	
O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]12	95584978	YVQKPTGBFBYTSB-VHSXEESVSA-N	404.389	1.559	5	1	HDBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cc(F)c(O)c([N+](=O)[O-])c3)N2C(=O)[C@@H]2CCCN12	963214581	KIFWGMFBYXGMFV-CORIIIEPSA-N	401.354	1.010	5	1	HDBF	
O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc12	586945978	FBRDJXUQLYVOHC-LBPRGKRZSA-N	403.420	1.990	5	1	HDBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(S)nc2[nH]1	587265406	DFWKNWVUBNYACE-ANLVUFKYSA-N	407.368	1.698	5	1	HDBF	
O=[N+]([O-])c1cccc(CSc2ncnc3c2ccn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	40934560	IOOHWYYUGBNCJS-ATNYBXOESA-N	418.431	1.243	5	1	HDBF	
NCCCN1CCN(CCCNc2ccc3nnn4c5ccccc5c(=O)c2c34)CC1	102966574	ISULYLWPNSWGIQ-UHFFFAOYSA-N	419.533	1.602	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)c2ccc(C)cc2c1=O	299824471	VQWLJIMSTZZFKQ-CQSZACIVSA-N	414.418	1.961	5	1	HDBF	
CC[N@+]1([O-])C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@H]41	299807892	BLIJXCZSTVKOIG-GDNOYHJISA-N	407.507	1.198	5	1	HDBF	
CN(C)C(=O)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-]	95578373	JDYIYQHZVBSJDK-UHFFFAOYSA-N	423.433	1.832	5	1	HDBF	
CN1CCN(CCOc2cc3c(=O)nc(N4CCOCC4)oc3c3ccccc23)CC1	72176843	QVJMCSJAIIWHOW-UHFFFAOYSA-N	424.501	1.804	5	1	HDBF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135637	MQIKDOQTUCHHIU-UHFFFAOYSA-N	424.461	1.956	5	1	HDBF	
O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1F	586940997	BCWVDYHWKUULOQ-UHFFFAOYSA-N	408.367	1.860	5	1	HDBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1[N+](=O)[O-]	586941756	WAROWCWMWCLCFE-UHFFFAOYSA-N	424.420	1.975	5	1	HDBF	
C[N+]1(CCCS(=O)(=O)O)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2	100062509	PIWAVOGXKRZQCB-VQCHGODESA-O	412.528	1.724	5	1	HDBF	in-man
NC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc([N+](=O)[O-])cc12	169347359	ZKPJNNTVWCMXHQ-OAHLLOKOSA-N	409.431	1.240	5	1	HDBF	
CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC[C@H](O)CO	2483831	DVNBTKLNSVCHRX-VIFPVBQESA-N	407.379	1.359	5	1	HDBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(N)=O	82084275	OPOKHNILOLDPMG-LLVKDONJSA-N	423.476	1.129	5	1	HDBF	
CCCCN1CCN(C(=S)SC[C@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1	1772615158	QXCPEJXNVGJYSU-CQSZACIVSA-N	401.558	1.896	5	1	HDBF	
N=C(N)NCCCNc1ccnc2c1ccc1c(NCCCNC(=N)N)ccnc12	45389401	GKNIAZPVZQGQMY-UHFFFAOYSA-N	408.514	1.353	5	1	HDBF	
Cc1c2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12	377841761	NKTMBMKUWRNUMI-BGJWJPPZSA-N	424.453	1.638	5	1	HDBF	
O=C(O)Cn1cc(I)c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n1	587186555	ZAMCTZLNCGRWNX-UHFFFAOYSA-N	414.119	1.419	5	1	HDBF	
COc1ccc(S(=O)(=O)N2C[C@@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C2)cc1	1857643491	QJFXBMWLIRGONR-OKILXGFUSA-N	407.448	1.949	5	1	HDBF	
CCSC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377815863	ZAMAVXJSEHLKSH-UHFFFAOYSA-N	401.381	1.486	5	1	HDBF	
COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1	5514420	YXGQLDCROUTVKT-UHFFFAOYSA-N	406.416	1.855	5	1	HDBF	
COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	8829535	YBPGPXLGJYHWOT-MRXNPFEDSA-N	421.362	1.702	5	3	HDBF	
CC(=O)NCSC[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)O	82084160	NYYHZTBMYKXHAZ-GFCCVEGCSA-N	424.460	1.728	5	1	HDBF	
C[N+]1(CCCS(=O)(=O)O)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2	100062512	PIWAVOGXKRZQCB-WYFQJXRYSA-O	412.528	1.724	5	1	HDBF	in-man
C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@](O)(C3=C[C@H]4O[C@H]4S3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21	473235336	YEAMHTXDSGCXQR-YRGHUSBHSA-N	408.521	1.592	5	1	HDBF	
C/C=C(/C)C(=O)O[C@H]1CC[N@+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)OC)[C@H]12	299848018	BYULTWMIZDJPPV-KHEGTFSDSA-N	411.495	1.857	5	1	HDBF	
C[C@]1(CN2CCc3nc(N4CCOCC4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1	1857547616	QXPPJNYAUIXNIL-IBGZPJMESA-N	400.439	1.232	5	1	HDBF	
O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	103199402	YAWNDDLGXQZPQH-AWEZNQCLSA-N	416.371	1.638	5	1	HDBF	
C[C@]1(CN2CCc3nc(-c4ccc(F)cc4)nnc3C2)Cn2cc([N+](=O)[O-])nc2O1	1857550748	WCUJLWLZSPSDCY-IBGZPJMESA-N	411.397	1.992	5	1	HDBF	
CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084161	FUNDZJOZTLICGL-LLVKDONJSA-N	410.477	1.636	5	1	HDBF	
C[C@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)N1Cc2ccccc2C1=O	2356826518	KNMYYZSWXGJTFS-FMKPAKJESA-N	422.441	1.747	5	1	HDBF	
O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N[C@@H]1CCCCNC1=O	82084752	XJFKZLJDIXVBBL-CYBMUJFWSA-N	417.447	1.233	5	1	HDBF	
CN(Cc1ccccc1)C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95604773	NPCCBYVLUVKMML-UHFFFAOYSA-N	419.459	1.729	5	1	HDBF	
O=c1n(CCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCC2	169714898	VVPGFENXTXQANW-UHFFFAOYSA-N	401.467	1.812	5	1	HDBF	
C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NC[C@H](O)COc1ccccc1	28264843	BNIIKZSXGANDNR-GJZGRUSLSA-N	409.464	1.291	5	1	HDBF	
CN(CC(=O)N1Cc2ccccc2C1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95603473	RFEGOUYSUBHQCJ-UHFFFAOYSA-N	417.443	1.613	5	1	HDBF	
Nc1ccn([C@H]2O[C@H](COc3cccc4cc5ccccc5cc34)[C@@H](O)[C@@H]2O)c(=O)n1	238747807	RDDAGZVVIVZLQQ-YJMBLLCNSA-N	419.437	1.830	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757647	QFLGHJKUQZFHRL-OUFMZXHOSA-O	409.462	1.999	5	1	HDBF	
C[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276518	LNKRONMOMMLGNV-LLVKDONJSA-N	406.424	1.298	5	1	HDBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1	587117317	IOYTZOKIRBFUPM-UHFFFAOYSA-N	404.330	1.691	5	1	HDBF	
NC(=O)c1cc([N+](=O)[O-])c(NCCCN2CCOCC2)cc1NCc1cccnc1	95920785	CJWWRAGBHVIPTP-UHFFFAOYSA-N	414.466	1.835	5	1	HDBF	in-vitro
Cc1nc2cc([N+](=O)[O-])ccc2n1CCn1cnc2c(N3CCOCC3)ncnc21	1857642873	VBSBYUJXKWEYGL-UHFFFAOYSA-N	408.422	1.929	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)cc4c(C)c3c2c1	28757649	QFLGHJKUQZFHRL-AWDZXFJFSA-O	409.462	1.999	5	1	HDBF	
O=C(O)c1ccc(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1	141084138	YWSTXBCPHOEKLS-LLVKDONJSA-N	417.326	1.924	5	1	HDBF	
CN(CC(=O)N1CCc2ccccc21)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95601566	BNQGYARQPZBGIA-UHFFFAOYSA-N	417.443	1.660	5	1	HDBF	
CS(=O)(=O)N[n+]1ccccc1C1=CC(CF)(CF)Oc2ccc([N+](=O)[O-])cc21	26735038	JAKPTHSARQHXBS-UHFFFAOYSA-N	412.394	1.887	5	1	HDBF	
CC(=O)N1CCN(c2ncc(C(=O)NCC3CC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82148821	NMZUHBBNRMNCSD-UHFFFAOYSA-N	424.461	1.860	5	1	HDBF	
O=C1CCc2cc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc2N1	587273890	WQZSDPPLODLLCT-IRXDYDNUSA-N	411.374	1.389	5	1	HDBF	
O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	13139589	GSMJIXGYXGKFDC-VZJWBNGJSA-N	424.457	1.441	5	1	HDBF	
CCOC(=O)N1[C@@H](C)CN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C	377818576	IPRWLMDZBJIPBM-PHIMTYICSA-N	413.367	1.546	5	1	HDBF	
O=C1[C@@H]2CCCN2C(=O)N1CCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	13760061	DNDDBNQMBXMCHY-SFHVURJKSA-N	401.467	1.924	5	1	HDBF	
C[C@@H](NC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cn1C)C(=O)OC(C)(C)C	26023820	HELYCQUDKLBQKN-LLVKDONJSA-N	419.438	1.984	5	1	HDBF	
C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(=O)O)c1	27553246	VYFDHYUKIJHGEW-LLVKDONJSA-N	408.388	1.957	5	1	HDBF	
CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	1857618831	YOCHWMLSHMATRP-KRWDZBQOSA-N	404.404	1.875	5	1	HDBF	
O=C(CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc([N+](=O)[O-])cc1	26721926	GVWIHYBQWAAILW-UHFFFAOYSA-N	413.390	1.900	5	1	HDBF	
CN([C@@H]1COc2nc([N+](=O)[O-])cn2C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	82149342	UOZCKOGPUHIHAE-VIFPVBQESA-N	422.341	1.772	5	1	HDBF	
COc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C	299823200	SWMQLQOLXXQOOG-LLVKDONJSA-N	402.363	1.183	5	1	HDBF	
CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCNCC1	82082254	NHTRPIMUAHONBD-INIZCTEOSA-N	417.491	1.905	5	1	HDBF	
O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O	299823216	TVHCQDGKXDZFFU-MRVPVSSYSA-N	410.745	1.658	5	1	HDBF	
CN(C)S(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1	587269826	PJPGMPNOTNFLON-UHFFFAOYSA-N	413.419	1.969	5	1	HDBF	
O=[N+]([O-])c1ccc(-n2nnnc2[S@@](=O)Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169331779	AFJSNXDKYVNCJY-LJAQVGFWSA-N	419.335	1.695	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H](C)O)cc1	586933960	ADHKVJANAOYTEO-LKFCYVNXSA-N	407.408	1.275	5	1	HDBF	
COc1ncc(-c2ccc3nc[nH]c(=NCCN4CCOCC4)c3c2)cc1[N+](=O)[O-]	1857613679	IPJVRGBPAYYTTL-UHFFFAOYSA-N	410.434	1.775	5	1	HDBF	
COc1cccc(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1	36227508	KVJALMUCYIVJCH-UHFFFAOYSA-N	419.459	1.793	5	3	HDBF	aggregator
CCOC(=O)N1CCN(C(=S)SC[C@@H](O)Cn2cc([N+](=O)[O-])nc2C)CC1	1772585162	DPGUSUKOEBYRIL-LBPRGKRZSA-N	417.513	1.253	5	1	HDBF	
CCOC(=O)N1CCCN([N+](=O)NOc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377837506	APEHENLTOSIGGY-UHFFFAOYSA-N	413.367	1.468	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H](C)O)cc1	586934332	GDVXUQPQURKHQC-LKFCYVNXSA-N	407.408	1.275	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cnc2[nH]1	587273254	QZDTUIFGOCEZOI-RYUDHWBXSA-N	422.195	1.662	5	1	HDBF	
CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	49035319	GIHMJQOSDVNBQN-PBHICJAKSA-N	404.423	1.954	5	1	HDBF	
CN(C(=O)c1ccccc1)c1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	377806642	HCHGLRVSFJOMDM-UHFFFAOYSA-N	405.347	1.834	5	1	HDBF	
CN([C@@H]1COc2nc([N+](=O)[O-])cn2C1)S(=O)(=O)c1ccccc1OC(F)(F)F	82155535	MGKUDQBBQUILJJ-VIFPVBQESA-N	422.341	1.772	5	1	HDBF	
N[C@@H](CCc1nc2c(S)nc(S)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271621	HJWDRPWVJHWGQG-VIFPVBQESA-N	405.465	1.737	5	1	HDBF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82148802	ANSKVAHCCUHPGJ-UHFFFAOYSA-N	424.461	1.956	5	1	HDBF	
O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)n1	587273062	GUNRMUQQJBSYOH-UHFFFAOYSA-N	420.451	1.321	5	1	HDBF	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)[C@H]1c1ncc([N+](=O)[O-])n1C	40862700	ZGHQNHZJJONXEA-MRXNPFEDSA-N	405.455	1.995	5	1	HDBF	
C[C@]1(CN2CCn3nc(-c4ccc(F)c(F)c4)nc3C2)Cn2cc([N+](=O)[O-])nc2O1	1857568436	VEMAKXZRGCROOY-SFHVURJKSA-N	417.376	1.995	5	1	HDBF	
O=C1O[C@@H](CO)CN1c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(F)c1	45255084	JTFYOIHGZXDQMG-OAHLLOKOSA-N	420.397	1.967	5	1	HDBF	
Cc1c2cc[n+]([C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12	28757794	QGFBNJWUHRUQMW-OPHUTGBKSA-O	409.462	1.351	5	1	HDBF	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	27556232	BIGHWYZYDKTIHG-KRWDZBQOSA-N	411.370	1.865	5	1	HDBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135391	DMXQLGHMTQNVPD-OAHLLOKOSA-N	424.461	1.990	5	1	HDBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O	299825676	ZRWUHINQZNVKLH-NSHDSACASA-N	404.354	1.483	5	1	HDBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cccc(OCCO)c2)CC1	95784650	JAYVUDPGQBWAIM-UHFFFAOYSA-N	421.475	1.472	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1	586933961	ADHKVJANAOYTEO-OTYXRUKQSA-N	407.408	1.275	5	1	HDBF	
N[C@@H](CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587273851	WNORIUIBRMJRPF-LBPRGKRZSA-N	418.435	1.017	5	1	HDBF	
N[C@@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CCC(=O)O)C(=O)O	299822398	IKWIGOBETYZORB-INIZCTEOSA-N	401.375	1.819	5	1	HDBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2[nH]c(=N)[nH]c(Cl)c-2n1	587265419	UCAWGBWGVRQZMY-SSDLBLMSSA-N	408.762	1.721	5	1	HDBF	
C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cccc(C(=O)O)c1	13840043	VYFDHYUKIJHGEW-NSHDSACASA-N	408.388	1.957	5	1	HDBF	
CN1[C@H]2CC[C@@H]1C[C@@H](n1cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn1)C2	100597508	UOURLLIWSNIQEM-MUJYYYPQSA-N	406.468	1.463	5	1	HDBF	
CC[N+]1([O-])C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H]([C@@H](O)[C@@H]32)[C@H]41	42852781	BLIJXCZSTVKOIG-GKUCNZFASA-N	407.507	1.198	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1	253636202	QFLGHJKUQZFHRL-XSEFMFLKSA-O	409.462	1.999	5	1	HDBF	
O=C(O)c1cn(C2CC2)c2nc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O	28868240	SLDWVXSQOOACJA-UHFFFAOYSA-N	416.390	1.681	5	1	HDBF	
CN(C)CCn1[nH]c2c3ccccc3nc3c(C(=O)NCCNCCO)ccc1c32	27074532	OQJABXZBNWEKII-UHFFFAOYSA-N	408.506	1.544	5	1	HDBF	
Cn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN(c4ccccn4)CC3)cc21	28459669	KSHNRCGDGUGBJL-UHFFFAOYSA-N	409.402	1.867	5	1	HDBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21	299821362	LDXBVZMYIZPPLM-SECBINFHSA-N	424.772	1.966	5	1	HDBF	
CN1C(=O)[C@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)NC(=O)[C@]1(O)Cc1cccc(O)c1	14765757	SQRZSSRGQBFFGK-HRAATJIYSA-N	424.413	1.212	5	1	HDBF	biogenic
NC(=O)[C@@H](N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccc(OC(F)(F)F)cc1	72180033	NNFAKKMEVZNOAL-CABZTGNLSA-N	401.301	1.267	5	1	HDBF	
O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N[C@@H]1CCCCNC1=O	82084811	PDLVTUUVGUKOJO-GFCCVEGCSA-N	417.447	1.233	5	1	HDBF	
Cc1c2ccn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1nc1ccc(O)cc12	377811550	NKTMBMKUWRNUMI-SUHOFRIBSA-N	424.453	1.638	5	1	HDBF	
CC(=O)Nc1nc(Cc2nnc(S)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1	28815438	VLXZQPNYACTWAL-UHFFFAOYSA-N	419.448	1.865	5	1	HDBF	
COc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](C)O)cc1	586934362	GQZADSKHWFBBDD-MEBBXXQBSA-N	406.420	1.880	5	1	HDBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CN(Cc4ccc([N+](=O)[O-])o4)C[C@@H]3C2)cc1	1857643180	FFLQCZVYYLLBIW-CHWSQXEVSA-N	422.419	1.849	5	1	HDBF	
CCOC(=O)COc1cccc2c1n(O)c1cccc(OCC(=O)OCC)c1[n+]2=O	1857645831	CMQWXEYMJXJFOO-UHFFFAOYSA-N	417.394	1.830	5	1	HDBF	
CCCn1c(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4n(c1=O)c23	101482018	ZIYWWXYHHFLEIH-UHFFFAOYSA-N	408.458	1.655	5	1	HDBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587271697	FTLBOBOBQAIJDB-KBPBESRZSA-N	405.298	1.551	5	1	HDBF	
N[C@@H](CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271969	KBPGWNSWJFGGFJ-ZDUSSCGKSA-N	418.435	1.017	5	1	HDBF	
Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12	28757793	QGFBNJWUHRUQMW-HLASJWRISA-O	409.462	1.351	5	1	HDBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N[C@H](CC(=O)O)C(=O)O)c([N+](=O)[O-])c21	1772578360	JKHYUZGVNCSNRD-SECBINFHSA-N	411.298	1.107	5	1	HDBF	
COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)cc4c(C)c3c2c1	58549486	QFLGHJKUQZFHRL-FDTGPBLFSA-O	409.462	1.999	5	1	HDBF	
CCCCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377815172	CNQVDIONRYJJRI-UHFFFAOYSA-N	413.367	1.550	5	1	HDBF	
CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12	587265649	WKZSUYZSZSAQGL-NSHDSACASA-N	405.436	1.670	5	1	HDBF	
C[n+]1c2ccccc2c(NCC(=O)NCC(=O)NCC(=O)O)c2oc3ccccc3c21	1772610874	FJDIMOICSKIDSA-UHFFFAOYSA-O	421.433	1.293	5	1	HDBF	
CN(C)CC(=O)NCc1cccc2cc3cccc(CNC(=O)CN(C)C)c3nc12	45285537	LLMUVFZFZKHWJF-UHFFFAOYSA-N	407.518	1.744	5	1	HDBF	
CCSC(=O)N1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377815834	JYKJHGIOPKLNCB-UHFFFAOYSA-N	415.408	1.876	5	1	HDBF