smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1cccc2c1cnn2[C@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@@H]1O	58563717	ZGDGHUHNALCMTO-KXNHARMFSA-N	357.215	0.719	5	1	FCBF	
O=[N+]([O-])c1cccc2c1ncn2[C@@H]1O[C@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	40498206	BIMRRZZMTQQCIJ-JTLRNRKASA-N	357.215	0.719	5	1	FCBF	
Cn1c(N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O	26995682	HABUIUAZDACRKI-UHFFFAOYSA-N	373.413	0.357	5	1	FCBF	
CC(=O)O[C@@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)C(C)C	14516823	PDTXPVYQALLBPN-KQKJURRQSA-N	357.403	0.256	5	1	FCBF	
Nc1nc(N)c(CCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1	29232842	DBDJLWCTYAWTRJ-UHFFFAOYSA-N	367.297	0.935	5	1	FCBF	
NCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82084891	RKZRTBFJIUEMGW-UHFFFAOYSA-N	350.356	0.950	5	1	FCBF	
O=C(CC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	100799970	DDPVKNAANMEFRI-UHFFFAOYSA-N	350.507	0.282	5	1	FCBF	
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H](C(O)(CO)CO)O3	14689092	GJDBWKOONRHBIM-OAHLLOKOSA-N	357.362	0.417	5	1	FCBF	endogenous,in-man
COCCOCCOCC[N+]1(C)CCC[C@@H]1COCCOCCOC	6519764	JUHJPSJIJNDQFK-MRTLOADZSA-N	364.503	0.955	5	1	FCBF	
O=[N+]([O-])c1ccc(OCc2cn([C@@H]3OC[C@@H](F)[C@H](O)[C@H]3O)nn2)cc1	64573118	LFDFTZQEZBKLEW-XJFOESAGSA-N	354.294	0.354	5	1	FCBF	
N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	27106388	KATMOEAJZJEJBP-BBWFWOEESA-N	359.382	0.675	5	1	FCBF	
Cn1c2ccccc2c(=O)c2c(O)cc(O)c(C[C@H](O)[C@]3(CO)CO3)c21	238749500	AMTARKGBEDEJCB-KXBFYZLASA-N	357.362	0.768	5	1	FCBF	
N[C@H](CCCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)O	40860486	PEUSIXSCWMLCMF-GFCCVEGCSA-N	366.374	0.413	5	1	FCBF	
CN(C)CCN(C)[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C1	61923701	CGBHHOIJSDRVDE-HNNXBMFYSA-N	356.448	0.602	5	3	FCBF	
Cc1c(Sc2ccccc2[N+](=O)[O-])n(COCCO)c(=O)[nH]c1=O	6520211	FHUSIFJQECQBMI-UHFFFAOYSA-N	353.356	0.871	5	1	FCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587264030	QKOGSFFMDZXLQV-IEBDPFPHSA-N	366.399	0.871	5	1	FCBF	
C[C@H](Cn1ncnn1)n1nnc2cc3c(=O)n(C4CC4)cnc3cc2c1=O	73163217	UZNOTPZWMOBBGU-SECBINFHSA-N	365.357	0.084	5	1	FCBF	
Cc1[nH]nc(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)NC(=O)NC1=O	1857629145	DETFHNGQHBKOFP-SNVBAGLBSA-N	359.298	0.446	5	1	FCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263705	NUVLTLINTORUAP-OPRDCNLKSA-N	366.399	0.871	5	1	FCBF	
C[C@H](O)[C@]1(O)C[N+]2([O-])CC[C@]34C(=C(C(=O)O)[C@H]1C[C@@H]32)Nc1ccccc14	238773159	JAPKERJUTMYYDE-OUAYGXGRSA-N	358.394	0.921	5	1	FCBF	
O=c1n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCC2	169714875	JZSYHNVMFOIPBS-UHFFFAOYSA-N	359.386	0.990	5	1	FCBF	
C[C@H](Cn1cnnn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	59191114	JYJRQVOJKHVZLS-SECBINFHSA-N	365.357	0.084	5	1	FCBF	
O=C1NC(=O)[C@H]2C1=[N+](Cc1ccccc1)N[C-]2c1ccc([N+](=O)[O-])cc1	169692277	ZGESDDOYTSOPHN-CQSZACIVSA-N	350.334	0.919	5	1	FCBF	
CC[N+]1(C)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	28001035	DGCABUGXYLZUDJ-HSLMYDHPSA-O	356.468	0.701	5	1	FCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587264028	QKOGSFFMDZXLQV-FBIMIBRVSA-N	366.399	0.871	5	1	FCBF	
CC1(C)C(=O)N(CCC[N+](C)(C)CCCS(=O)(=O)O)C(=O)N1Cl	1857580827	HBMHKUUJGFJRMF-UHFFFAOYSA-O	370.879	0.927	5	1	FCBF	
COc1ccc2c(c1)c(=O)c1c(NCCNCCO)ccc3nnn2c31	100854654	LKUKPUUEOZDCSY-UHFFFAOYSA-N	353.382	0.836	5	1	FCBF	
O=C1C[C@H](OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)[C@H]2CO[C@@H]1O2	1911580297	BMKFNLCTFITBCD-ARFHVFGLSA-N	360.326	0.834	5	1	FCBF	
O=[N+]([O-])c1cccc2c1cnn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@H]1O	38824118	ZGDGHUHNALCMTO-DDHJBXDOSA-N	357.215	0.719	5	1	FCBF	
NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	27868436	UFMMBBOEVACJSX-MNOVXSKESA-N	361.358	0.258	5	1	FCBF	
CN(C(=O)CNC(=O)CN)c1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	26639332	KOPSWVQYMHRIKR-UHFFFAOYSA-N	370.365	0.864	5	1	FCBF	
O=[N+]([O-])c1cccc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O	27519812	BIMRRZZMTQQCIJ-SASUGWTJSA-N	357.215	0.719	5	1	FCBF	
CCOC(=O)C(O)(Cc1nc2sccn2c1[N+](=O)[O-])C(=O)OCC	49067157	HYKUWNIKJLLHMI-UHFFFAOYSA-N	357.344	0.704	5	1	FCBF	
Nc1no[nH]c1=NC(=O)Cn1c2ccccc2c2nc3nonc3nc21	474605273	GDVHPNKSEYEMPJ-UHFFFAOYSA-N	351.286	0.147	5	1	FCBF	
C/C=C1/C[C@]2(CO)O[C@@]2(C)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23	238774683	IJAULDQGSBFPPG-PWLBHZCXSA-N	365.382	0.338	5	1	FCBF	
CC=C1CC[C@](C)(O)C(=O)OC[C@]2(O)CC[N@+]3([O-])CC[C@H](OC1=O)[C@H]23	2356304989	JOHZTDAMFGTNGQ-KISNFGTJSA-N	355.387	0.154	5	1	FCBF	
NC(=O)C1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377795117	VKCAFRNRYNNOCP-UHFFFAOYSA-O	355.287	0.193	5	1	FCBF	
Cn1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)cc1C(=O)NCCC(=N)N	26020417	GPMPQMAABOKVML-UHFFFAOYSA-N	361.362	0.580	5	1	FCBF	
Nc1ncnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12	587273900	XBVWSCSTNFFTBY-JTQLQIEISA-N	356.346	0.742	5	1	FCBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CC[C@H](C[N+](=O)[O-])C3)N2C(=O)[C@@H]2CCCN12	963217196	PBRBQFFSSPOOSV-PYERRIOISA-N	359.386	0.440	5	1	FCBF	
OCCn1c(O)nc(=S)c2cc3c(=S)nc(O)n(CCO)c3nc21	1862167	VQUYTOKRJNWJBX-UHFFFAOYSA-N	367.412	0.636	5	1	FCBF	
C/C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@]23O	238761069	SRADQUKTDOQMGD-NMPYBZJVSA-N	366.434	0.657	5	1	FCBF	
COCCOCCOCC[N@+]1(C)CCC[C@H]1COCCOCCOC	253632973	JUHJPSJIJNDQFK-OALUTQOASA-N	364.503	0.955	5	1	FCBF	
NS(=O)(=O)c1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1=O	95560951	XBSWVSBTGPVAJQ-UHFFFAOYSA-N	352.328	0.043	5	1	FCBF	
CC(=O)O[C@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12	210567399	LQRKAEIDKZNCJO-BISWWHHVSA-N	357.403	0.256	5	1	FCBF	
CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1COCC1=O	26149893	BLICONVJIRMOKW-KBPBESRZSA-N	363.370	0.823	5	1	FCBF	
O=c1cc(N2CCNCC2)n(Cc2ccccc2[N+](=O)[O-])c2ccnn12	1857639779	NQNKUPUCBHHFGK-UHFFFAOYSA-N	354.370	0.862	5	1	FCBF	
C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	5132686	SRADQUKTDOQMGD-YOEBTBIFSA-N	366.434	0.657	5	1	FCBF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	586936875	AXLZIWNATSGOLZ-ZETCQYMHSA-N	351.348	0.639	5	1	FCBF	
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]12	3943078	DJZPHYIXNUOVJU-VYUIOLGVSA-N	374.353	0.486	5	1	FCBF	in-vitro
NS(=O)(=O)c1cc(NC(=O)NCc2ccco2)c(O)c([N+](=O)[O-])c1	1857653385	XIEOWAXTWJTGQW-UHFFFAOYSA-N	356.316	0.863	5	1	FCBF	
COc1cncc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587272165	LCFMYLCSMZZAIL-KBPBESRZSA-N	373.325	0.908	5	1	FCBF	
C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(C4CC4)cnc3cc2c1=O	73163219	OUJQXICEBFFVSY-SNVBAGLBSA-N	364.369	0.689	5	1	FCBF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1	586936870	AXLZIWNATSGOLZ-SSDOTTSWSA-N	351.348	0.639	5	1	FCBF	
O=[N+]([O-])c1cccc2c1nnn2[C@@H]1O[C@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	40496699	UTVAXOZNFKWBAQ-AYHFEMFVSA-N	358.203	0.114	5	1	FCBF	
O=C(NC(=O)c1ccccc1)Nn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21	26637863	SJZPKYXLWUSMCC-UHFFFAOYSA-N	369.293	0.692	5	1	FCBF	
C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@H](OC1=O)[C@@]23O	238730966	SRADQUKTDOQMGD-ZUNVWVPWSA-N	366.434	0.657	5	1	FCBF	
COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@@H](C(O)(CO)CO)O4	2356580569	XUXZANVWCVBJJJ-AWEZNQCLSA-N	374.345	0.680	5	1	FCBF	
CNS(=O)(=O)NCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586942896	QMVYMQVWYCPIIO-UHFFFAOYSA-N	364.181	0.787	5	1	FCBF	
CCNC(=O)Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21	26740989	DNUOBUDMKUHJRR-UHFFFAOYSA-N	357.326	0.937	5	1	FCBF	
COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H](C(O)(CO)CO)O2	14682413	GLRRPMNERDFOHV-AWEZNQCLSA-N	374.345	0.680	5	1	FCBF	biogenic
N[C@@H](CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587274540	YMORDEYJMUUKAO-VIFPVBQESA-N	373.329	0.571	5	1	FCBF	
NCCNCc1nn2c3ccccc3c(=O)c3c(NCCN)ccc1c32	101153660	VMWYKJAFDYFISH-UHFFFAOYSA-N	350.426	0.858	5	1	FCBF	
C[C@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1	18040325	DJZPHYIXNUOVJU-RWEMILLDSA-N	374.353	0.486	5	1	FCBF	
O=C(NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)c1ccccc1O	27554370	VPXGMWADLVSTFS-UHFFFAOYSA-N	356.294	0.760	5	1	FCBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccnc(O)c2[nH]1	587274070	YGEFUDOWBHTMDT-RYUDHWBXSA-N	359.298	0.605	5	1	FCBF	
C[C@H](Cn1cncn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	59185848	ALESVAISFYHNPL-SECBINFHSA-N	365.357	0.084	5	1	FCBF	
COC(=O)N[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440479	MZBASFPGAJKZGV-SNVBAGLBSA-N	374.202	0.482	5	1	FCBF	
O=S1(=O)N=c2ccc3c4c(c5ccccc5c(c24)O1)OS(=O)(=O)N=3	32256851	UETSSTUCMYSOAS-UHFFFAOYSA-N	362.344	0.507	5	1	FCBF	
COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H](C(O)(CO)CO)O2	14682411	GLRRPMNERDFOHV-CQSZACIVSA-N	374.345	0.680	5	1	FCBF	biogenic
NCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82084839	VUVCNYFNRSSHDH-UHFFFAOYSA-N	350.356	0.950	5	1	FCBF	
CC(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1COCC1=O	26149884	BLICONVJIRMOKW-UONOGXRCSA-N	363.370	0.823	5	1	FCBF	
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C(=O)O)c3)cc21	13445026	MLIKVWYGUKDINC-UHFFFAOYSA-N	374.265	0.172	5	1	FCBF	
O=[N+]([O-])c1cccc2c1cnn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	27519248	ZGDGHUHNALCMTO-KKOKHZNYSA-N	357.215	0.719	5	1	FCBF	
CC[N+]1(C)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	28001033	DGCABUGXYLZUDJ-ISGGMURCSA-O	356.468	0.701	5	1	FCBF	
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc([N+](=O)[O-])cc3)[nH]c2=O)cc1	28004445	YNESJSJEJSVHGA-APGQMXJTSA-N	365.345	0.638	5	1	FCBF	
N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1	72113021	BTXFOEKRWVLAJQ-ULQDDVLXSA-N	374.397	0.347	5	1	FCBF	
CC[C@H](C)C[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)O	62146789	LDGDIMYXMYLBRD-WTDIUWLJSA-N	353.375	0.961	5	1	FCBF	
Nc1ccccc1C(=O)NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	27554864	IISXRMGWZBSOJD-UHFFFAOYSA-N	355.310	0.637	5	1	FCBF	
NC(=O)CC[C@H](Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	96086646	MNHDZOJOBSZDLO-LURJTMIESA-N	357.235	0.542	5	1	FCBF	in-vitro
N[C@@H](CC[P@](=O)(O)[C@H](O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O	1772612253	XLCBJZCNPXZIGH-CPCISQLKSA-N	352.211	0.503	5	1	FCBF	
CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)C[C@H]3C[C@H]3C2=O)c([N+](=O)[O-])c1	103153753	NDQWBYOLPHKHGX-XBURVNOZSA-N	351.336	0.975	5	1	FCBF	
O=[N+]([O-])c1ncn(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)n1	299869730	VIDWSUWTGSARNB-ZDUSSCGKSA-N	351.273	0.644	5	1	FCBF	
CC=C1CC[C@](C)(O)C(=O)OC[C@]2(O)CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	2356304992	JOHZTDAMFGTNGQ-LTCQIXDTSA-N	355.387	0.154	5	1	FCBF	
Cc1c(O)c(=O)c2c(cc(O)c3c(=O)c4c(O)cccc4c(=O)c32)c1=O	14814490	LRVJUCBWMNTDLP-UHFFFAOYSA-N	350.282	0.888	5	1	FCBF	biogenic,in-vitro
O=[N+]([O-])c1cccc2c1nnn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	27519237	UTVAXOZNFKWBAQ-WKJUBOCMSA-N	358.203	0.114	5	1	FCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587263703	NUVLTLINTORUAP-KXUCPTDWSA-N	366.399	0.871	5	1	FCBF	
Cn1cc(Nc2ncc([N+](=O)[O-])c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)cn1	84688248	RKUJYVCXPDDJQR-FIDNZITISA-N	370.373	0.950	5	1	FCBF	
CC[C@@H](C)C[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)O	62146784	LDGDIMYXMYLBRD-PCDDKUFXSA-N	353.375	0.961	5	1	FCBF	
COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cn1	587273438	UFUCPEBYCFVWAT-KBPBESRZSA-N	373.325	0.908	5	1	FCBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(O)nc(O)nc3[nH]2)cc1	586920344	JERKCXAPEAAKJB-UHFFFAOYSA-N	351.300	0.646	5	1	FCBF	
C[C@H](NC(=O)[C@H](N)CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O	38543153	JDXLEVRMYMHGHD-JOYOIKCWSA-N	353.331	0.335	5	1	FCBF	
CCNC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	1857750374	JKULNQJWKJXVEF-NSHDSACASA-N	359.360	0.243	5	1	FCBF	
O=C(Cc1ccccc1)NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	27553183	DORZKUMTROONKD-UHFFFAOYSA-N	354.322	0.984	5	1	FCBF	
CN(C)CCN(C)[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)C1	61923700	CGBHHOIJSDRVDE-OAHLLOKOSA-N	356.448	0.602	5	3	FCBF	
CNS(=O)(=O)NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586941887	FSOQWRCTBWFIGQ-UHFFFAOYSA-N	364.181	0.787	5	1	FCBF	
NCCN1CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12	61947645	RQFAPQSYHKEZIH-CYBMUJFWSA-N	373.335	0.863	5	3	FCBF	
NS(=O)(=O)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12	587273650	NBYFWSIWDLIVHJ-UHFFFAOYSA-N	350.360	0.948	5	1	FCBF	
CCOC(=O)c1nc2c(=O)[nH]c3cc([N+](=O)[O-])c(NC(C)=O)cc3n2n1	13532644	OCDABXPSFUOQGH-UHFFFAOYSA-N	360.286	0.614	5	1	FCBF	
O=C(NCCN1CCOCC1)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	26994285	VXADTXQUXBSKRJ-UHFFFAOYSA-N	365.346	0.385	5	1	FCBF	
CC(C)NC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	1857633926	LRLQSCGBFVRVPC-LBPRGKRZSA-N	373.387	0.631	5	1	FCBF	
N[C@H](Cc1ccccc1)C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	27106391	KATMOEAJZJEJBP-ZACQAIPSSA-N	359.382	0.675	5	1	FCBF	
Cn1c(N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(=O)n(C)c1=O	26995676	ZBSYANDDZMBGIH-UHFFFAOYSA-N	359.386	0.314	5	1	FCBF	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	33573458	SRADQUKTDOQMGD-VQZMEBAHSA-N	366.434	0.657	5	1	FCBF	
CC(C)[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	238782567	GHXSYXQURAMQQE-ICUBLQGZSA-N	369.414	0.256	5	1	FCBF	
NCC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1	26580105	FYUPTROPMDKDPF-UHFFFAOYSA-N	356.338	0.839	5	1	FCBF	
O=c1c2ccc(-c3nnn(CCO)n3)cc2oc2ccc(OCCO)cc12	29487690	PKJBHPZKHBWAAC-UHFFFAOYSA-N	368.349	0.963	5	1	FCBF	
OC[C@H]1O[C@@H](Oc2c(O)ccc3c2ccc2ccccc23)[C@H](O)[C@@H](O)[C@@H]1O	38792175	RZPVCCLYHPVIAO-NUABRCLCSA-N	372.373	0.877	5	1	FCBF	in-vitro
C[C@H](Cn1ncnn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	43203530	LSMZCVQJUXOZRB-SECBINFHSA-N	365.357	0.084	5	1	FCBF	
Cc1[nH]nc(O)c1[C@@H](c1ccccc1[N+](=O)[O-])C1C(=O)NC(=O)NC1=O	1857630888	WMLKBRWSURUCED-SNVBAGLBSA-N	359.298	0.446	5	1	FCBF	
N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	27106382	KATMOEAJZJEJBP-ULQDDVLXSA-N	359.382	0.675	5	1	FCBF	
C[C@@H](O)[C@H](N)C(=O)NC/C=C/Cn1cnc2cc3ccccc3cc2c1=O	1857606620	ANWBZPHAIQIAEY-HLTRUZGLSA-N	366.421	0.930	5	1	FCBF	
N[C@@H](CNC(=O)c1[nH]c2cccc(Br)c2c1[N+](=O)[O-])C(=O)O	42920299	RUOJPOQJXPJYRQ-LURJTMIESA-N	371.147	0.980	5	1	FCBF	
O=c1c2cccc(O)c2oc2c3c(cc(O)c12)O[C@@H](C(O)(CO)CO)C3	2356742494	ZKMZMPGQTCUBOY-CYBMUJFWSA-N	360.318	0.377	5	1	FCBF	
O=[N+]([O-])c1cccc2c1ncn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	27519810	BIMRRZZMTQQCIJ-HKWIRBFKSA-N	357.215	0.719	5	1	FCBF	
CCN(Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)[C@H](C)P(=O)(O)O	26569701	WOAGSQCIFSCNIH-ZETCQYMHSA-N	372.274	0.470	5	1	FCBF	
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@@H](C)O1	141588634	DJZPHYIXNUOVJU-JRKPZEMJSA-N	374.353	0.486	5	1	FCBF	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)C[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23	238741432	QTCRXZRCLRRRCO-LVBFENQHSA-N	369.414	0.256	5	1	FCBF	
COCCOCCOCC[N+]1(C)CCC[C@H]1COCCOCCOC	6519777	JUHJPSJIJNDQFK-OYKVQYDMSA-N	364.503	0.955	5	1	FCBF	
O=[N+]([O-])c1ncn(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)n1	299869729	VIDWSUWTGSARNB-CYBMUJFWSA-N	351.273	0.644	5	1	FCBF	
N[C@@H](C(=O)N[C@H](CO)Cc1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1	62146768	MEFNREVCIWHFEW-UAGQMJEPSA-N	359.382	0.675	5	1	FCBF	
COCCOCCOCC[N@@+]1(C)CCC[C@H]1COCCOCCOC	253632974	JUHJPSJIJNDQFK-RBUKOAKNSA-N	364.503	0.955	5	1	FCBF	
O=C(O)CNCCNCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587229395	WSZZCFVTLJBIRT-UHFFFAOYSA-N	372.179	0.997	5	1	FCBF	
CCOC(=O)c1nnn(-c2ccccc2[N+](=O)[O-])c1[C@H](O)[C@@H](O)[C@H](C)O	103256608	YCOVOZVFBCRBQX-YZMDESFKSA-N	366.330	0.127	5	1	FCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-]	587264031	QKOGSFFMDZXLQV-MIMYLULJSA-N	366.399	0.871	5	1	FCBF	
O=C(O)[C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	27855940	VWRKNNHQNMGINW-PSASIEDQSA-N	362.342	0.858	5	1	FCBF	
O=C(O)[C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	27855955	VWRKNNHQNMGINW-SCZZXKLOSA-N	362.342	0.858	5	1	FCBF	
Cc1c(O)c2cc(O)c3c(=O)c4c(O)cccc4c(=O)c3c2c(=O)c1=O	100305302	SKUDQXAQMMVQKR-UHFFFAOYSA-N	350.282	0.888	5	1	FCBF	in-vitro
CCNS(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	999388	SZZVVRZTUXEYGJ-UHFFFAOYSA-N	353.360	0.728	5	3	FCBF	
CC1(C)[C@H](C(=O)O)N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)[C@H]2S1(=O)=O	29313740	BBSAGRSRKMFUML-UOXABAFYSA-N	366.351	0.807	5	1	FCBF	
COCCOCCOCC[N@+]1(C)CCC[C@@H]1COCCOCCOC	253632971	JUHJPSJIJNDQFK-MOPGFXCFSA-N	364.503	0.955	5	1	FCBF	
COC(=O)N[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440481	MZBASFPGAJKZGV-JTQLQIEISA-N	374.202	0.482	5	1	FCBF	
N[C@@H](CNC(=O)[C@H](N)Cc1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1	72116503	YONMWJQXDIKEMB-IKGGRYGDSA-N	358.398	0.642	5	1	FCBF	
Cc1[nH]nc(O)c1[C@H](c1ccccc1[N+](=O)[O-])C1C(=O)NC(=O)NC1=O	1857630887	WMLKBRWSURUCED-JTQLQIEISA-N	359.298	0.446	5	1	FCBF	
CCOC(=O)[C@H](C)[S@@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1	28570742	DURXBBMNTUDMFH-NXBGLYJASA-N	359.389	0.906	5	1	FCBF	
Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H](C(O)(CO)CO)O3	14689094	GJDBWKOONRHBIM-HNNXBMFYSA-N	357.362	0.417	5	1	FCBF	endogenous,in-man
C[C@H](Cn1ccnn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	59185774	ALIAEMSWVHGXEY-SECBINFHSA-N	365.357	0.084	5	1	FCBF	
CC[N@+]1(C)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	253636920	DGCABUGXYLZUDJ-HXPMCKFVSA-O	356.468	0.701	5	1	FCBF	
COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	82149925	KXRQJPTVLQXNKU-VIFPVBQESA-N	359.316	0.829	5	1	FCBF	
O=c1[nH]cc(F)c(=O)n1CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	34985722	ZIBWKHRYISBLIX-UHFFFAOYSA-N	353.266	0.994	5	1	FCBF	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O	238759683	YLPHOAABCKQOPS-CWSIPQRUSA-N	368.450	0.737	5	1	FCBF	
C/C=C1/C[C@@H](C)[C@@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23	238741055	IDIMIWQPUHURPV-LKTSQHLFSA-N	367.398	0.178	5	1	FCBF	
NS(=O)(=O)c1n[nH]c(=NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)s1	1857648525	RBCBZIXFWYWXAB-UHFFFAOYSA-N	355.361	0.004	5	1	FCBF	
O=c1cnn(-c2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(=O)[nH]1	28762868	QRPLGULOJRQZPN-UHFFFAOYSA-N	374.334	0.662	5	1	FCBF	
CCN(Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)[C@@H](C)P(=O)(O)O	26571047	WOAGSQCIFSCNIH-SSDOTTSWSA-N	372.274	0.470	5	1	FCBF	
O=C1NC(=O)[C@@H]2C1=[N+](Cc1ccccc1)N[C-]2c1ccc([N+](=O)[O-])cc1	169692276	ZGESDDOYTSOPHN-AWEZNQCLSA-N	350.334	0.919	5	1	FCBF	
Nc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cn1	587271708	GCSHMAOKTXATQY-STQMWFEESA-N	358.314	0.481	5	1	FCBF	
O=[N+]([O-])c1cccc2c1nnn2[C@@H]1O[C@@H]2CO[P@@](=O)(O)O[C@H]2[C@@H]1O	58508489	UTVAXOZNFKWBAQ-APHKKCJPSA-N	358.203	0.114	5	1	FCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-]	587264023	QKOGSFFMDZXLQV-DVVUODLYSA-N	366.399	0.871	5	1	FCBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CC[C@@H](C[N+](=O)[O-])C3)N2C(=O)[C@@H]2CCCN12	963217193	PBRBQFFSSPOOSV-FIHUPRISSA-N	359.386	0.440	5	1	FCBF	
CN1CCN([C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1	61923720	MXHMQMTZECGZKN-OAHLLOKOSA-N	354.432	0.356	5	3	FCBF	
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(S(N)(=O)=O)cc1	95920767	CWGIVRBYIAXEMP-UHFFFAOYSA-N	350.356	0.953	5	1	FCBF	in-vitro
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cn1c([N+](=O)[O-])cnc1C	103275654	UQQFMUKUCTVBBY-ZDUSSCGKSA-N	362.342	0.706	5	1	FCBF	
O=[N+]([O-])c1cc(-c2nnn(CCCN3CCOCC3)n2)cc([N+](=O)[O-])c1	1772631917	QYQFNBCJKOXSBK-UHFFFAOYSA-N	363.334	0.879	5	1	FCBF	
O=C(CCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1	29468423	USAWMAKHBUFYNM-UHFFFAOYSA-N	364.534	0.672	5	1	FCBF	
C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@]23O	263638230	SRADQUKTDOQMGD-WDMBUFLPSA-N	366.434	0.657	5	1	FCBF	
N[C@H](Cc1ccccc1)C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	95547540	KATMOEAJZJEJBP-BRWVUGGUSA-N	359.382	0.675	5	1	FCBF	
CC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377795123	JNCLOMVMSMMLDO-UHFFFAOYSA-N	355.287	0.159	5	1	FCBF	
O=C(O)c1ccc2oc3ccc(S(=O)(=O)NCCO)cc3c(=O)c2c1	28258380	CSZHCWIOGZKUMP-UHFFFAOYSA-N	363.347	0.915	5	1	FCBF	
NCCNCc1nn2c3cccc(O)c3c(=O)c3c(NCCN)ccc1c32	100754801	CQULRRUTPSSQCQ-UHFFFAOYSA-N	366.425	0.563	5	1	FCBF	
Cc1c(Sc2ccc([N+](=O)[O-])cc2)n(COCCO)c(=O)[nH]c1=O	6520142	DMIJQUAVCBQQQV-UHFFFAOYSA-N	353.356	0.871	5	1	FCBF	
O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(CCO)CC1	96935510	IGVBLJNMWAFMBH-UHFFFAOYSA-N	351.359	0.393	5	1	FCBF	
CC=C1CC[C@](C)(O)C(=O)OC[C@]2(O)CC[N@+]3([O-])CC[C@H](OC1=O)[C@@H]23	2356304996	JOHZTDAMFGTNGQ-WIHIRCLASA-N	355.387	0.154	5	1	FCBF	
COc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1	587273250	QXGGQMJBCYTOGF-STQMWFEESA-N	373.325	0.908	5	1	FCBF	
C[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@@H](O)[C@@H]1O	2356715141	CQFWUUXJZDGIDM-WSJCLHTRSA-N	370.361	0.767	5	1	FCBF	
CC(C)=CC(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](C)(O)[C@H](C)O)[C@H]12	14685619	IIQDNEXTPYYTGE-LKQKNFETSA-N	369.414	0.566	5	1	FCBF	
N[C@@H](CCc1nc2c(O)ncnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587272629	OMIVNDKIJBPJSH-JTQLQIEISA-N	357.330	0.865	5	1	FCBF	
Nc1nc(O)c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1	586921145	ZJNIXIZSARLKFM-UHFFFAOYSA-N	350.316	0.523	5	1	FCBF	
NS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1	587273742	OQIFOZTWQFGACZ-UHFFFAOYSA-N	350.360	0.948	5	1	FCBF	
O=[N+]([O-])c1ccc(OCc2cn([C@H]3OC[C@@H](F)[C@H](O)[C@H]3O)nn2)cc1	64560455	LFDFTZQEZBKLEW-RQJABVFESA-N	354.294	0.354	5	1	FCBF	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1cnc([N+](=O)[O-])n1	17215831	DALHZLDAUWFICN-UHFFFAOYSA-N	352.311	0.196	5	1	FCBF	
C/C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23	85509101	IDIMIWQPUHURPV-BEPQMMTDSA-N	367.398	0.178	5	1	FCBF	biogenic,in-vitro
NCCNc1ccc2c(CNCCO)nn3c4cccc(O)c4c(=O)c1c23	3800755	HLYQEHUIUQCKRO-UHFFFAOYSA-N	367.409	0.597	5	1	FCBF	
O=[N+]([O-])c1cccc2c1nnn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O	27519235	UTVAXOZNFKWBAQ-DQDDRIPDSA-N	358.203	0.114	5	1	FCBF	
N[C@@]1(C(=O)O)[C@H](OCc2cccc([N+](=O)[O-])c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O	13582175	PZSGPXPIWKZATB-ZNLHFFCSSA-N	354.290	0.705	5	1	FCBF	
N=c1[nH]cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc-2[nH]1	587271160	CENLJVGAULYUAU-JTQLQIEISA-N	356.346	0.524	5	1	FCBF	
O=C(CCCn1cnc([N+](=O)[O-])n1)NCCCn1ccnc1[N+](=O)[O-]	12971198	HKKNUYUDWXULEK-UHFFFAOYSA-N	352.311	0.278	5	1	FCBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)nc(N)nc2[nH]1	587118131	NYUJCUUZSQUZAU-UHFFFAOYSA-N	358.240	1.121	5	1	FCBF	
CCOC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1[C@H](O)[C@@H](O)[C@H](C)O	103256611	XDGACGSKFPJCJU-YZMDESFKSA-N	366.330	0.127	5	1	FCBF	
CC(=O)O[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440462	ISJZRGVAXJYILG-NSHDSACASA-N	359.187	0.689	5	1	FCBF	
C[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@H](O)[C@@H]1O	2356715138	CQFWUUXJZDGIDM-GCVCWNQQSA-N	370.361	0.767	5	1	FCBF	
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@@H]2[C@@H](C)O1	3943080	DJZPHYIXNUOVJU-KKFJDGPESA-N	374.353	0.486	5	1	FCBF	
N[C@@H](CC[P@](=O)(O)[C@@H](O)c1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O	1772612254	XLCBJZCNPXZIGH-WRWORJQWSA-N	352.211	0.503	5	1	FCBF	
CN1CCN(C2CCC(CNC(=O)[C@@H]3CC[C@@H]([N+](=O)[O-])O3)CC2)CC1	66058920	DTKOILXUDVRQFO-CKUJCDMFSA-N	354.451	0.691	5	1	FCBF	
CCOC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1[C@H](O)[C@@H](O)[C@H](C)O	103256615	UYIAXLINOILKDP-YZMDESFKSA-N	366.330	0.127	5	1	FCBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263707	NUVLTLINTORUAP-UTLUCORTSA-N	366.399	0.871	5	1	FCBF	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCn1ccnc1[N+](=O)[O-]	17210356	KGGFDKXOKZXDQY-UHFFFAOYSA-N	351.323	0.801	5	1	FCBF	
CN1C(=O)C(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)N(C)C1=O	103238348	LOQGPPWFCWAYTB-UHFFFAOYSA-N	350.243	0.352	5	1	FCBF	
Cn1c(NCCNCCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O	26997385	UGSQNBRXMCFWOI-UHFFFAOYSA-N	361.402	0.627	5	1	FCBF	
CN(C)CCNC(=O)c1ccc(NC(=O)c2nc([N+](=O)[O-])cn2C)cc1	1630812	COJJRIOLJRRCMH-UHFFFAOYSA-N	360.374	0.872	5	1	FCBF	
Nc1nccnc1C(=O)NN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1	653725377	MGUUXPHXIBDHHC-AWEZNQCLSA-N	360.355	0.886	5	1	FCBF	
CC=C1CC[C@](C)(O)C(=O)OC[C@]2(O)CC[N@+]3([O-])CC[C@@H](OC1=O)[C@H]23	2356304994	JOHZTDAMFGTNGQ-MYWGYQQTSA-N	355.387	0.154	5	1	FCBF	
C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@@]23O	263638228	SRADQUKTDOQMGD-MUHYCEBKSA-N	366.434	0.657	5	1	FCBF	
Cn1c2ccc([N+](=O)[O-])cc2c2oc(C(=O)Nc3nnn[nH]3)cc(=O)c21	28252902	KTIRZLFDSHYFPJ-UHFFFAOYSA-N	355.270	0.958	5	1	FCBF	
Cc1nc2c([N+](=O)[O-])csc2c(=O)n1CC(=O)N1CCN(C)CC1	1857587170	RRRWDMRGFDXEEJ-UHFFFAOYSA-N	351.388	0.449	5	1	FCBF	
C[C@H](Cn1nccn1)n1nnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	59185772	QUJPZHTVSGCYJH-SECBINFHSA-N	365.357	0.084	5	1	FCBF	
NC(=O)[C@@H]1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	377795135	QFPHEOZBNLXJQP-MRVPVSSYSA-O	355.287	0.193	5	1	FCBF	
N[C@@H](CCc1nc2cnnc(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271104	AQHNLFKFDWOWOL-JTQLQIEISA-N	357.330	0.865	5	1	FCBF	
COc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3[N+](=O)[O-])[nH]c2=O)cc1	28091470	LIJRDJWGCLOVLW-XCMCHEKJSA-N	365.345	0.638	5	1	FCBF	
N[C@H](CNC(=O)c1[nH]c2cccc(Br)c2c1[N+](=O)[O-])C(=O)O	42920300	RUOJPOQJXPJYRQ-ZCFIWIBFSA-N	371.147	0.980	5	1	FCBF	
O=[N+]([O-])c1cccc2c1cnn2[C@@H]1O[C@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	40718680	ZGDGHUHNALCMTO-IRCOFANPSA-N	357.215	0.719	5	1	FCBF	
CN1CCN([C@H]2CN(Cc3ccc([N+](=O)[O-])cc3)S(=O)(=O)C2)CC1	61923723	MXHMQMTZECGZKN-HNNXBMFYSA-N	354.432	0.356	5	3	FCBF	
COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H](C(O)(CO)CO)O4	238772494	XUXZANVWCVBJJJ-CQSZACIVSA-N	374.345	0.680	5	1	FCBF	
Nc1nccnc1C(=O)NN1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1	653918432	DIQPVUALJJQDDO-AWEZNQCLSA-N	360.355	0.886	5	1	FCBF	
O=C(O)[C@@H]1CCCC[C@@H]1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	27868441	SSAARQXFEIFLGZ-MNOVXSKESA-N	362.342	0.858	5	1	FCBF	
CCN(Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)CP(=O)(O)O	26570619	DLIGMIWPJHLYCB-UHFFFAOYSA-N	358.247	0.082	5	1	FCBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CC[C@H](C[N+](=O)[O-])C3)N2C(=O)[C@@H]2CCCN12	963217195	PBRBQFFSSPOOSV-HTWFXAOOSA-N	359.386	0.440	5	1	FCBF	
Nc1nccnc1C(=O)NN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1	653725378	MGUUXPHXIBDHHC-CQSZACIVSA-N	360.355	0.886	5	1	FCBF	
Nc1ccnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12	587273354	RMQAYAJQLNWQFJ-RYUDHWBXSA-N	358.314	0.481	5	1	FCBF	
C/C=C1/CC[C@@](C)(O)C(=O)OC[C@@]2(O)CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23	238760009	JOHZTDAMFGTNGQ-SYTKVIHXSA-N	355.387	0.154	5	1	FCBF	
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCNCCO	28229175	MYTZOVCTSUOUSD-UHFFFAOYSA-N	374.309	0.834	5	1	FCBF	
CCOC(=O)C(=O)Nc1cc(NC(=O)C(=O)OCC)cc([N+](=O)[O-])c1	169316031	JBPJGSAMVYCLSW-UHFFFAOYSA-N	353.287	0.598	5	1	FCBF	
CCOC(=O)[C@@H](C)[S@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1	28570743	DURXBBMNTUDMFH-ZTWNGQAISA-N	359.389	0.906	5	1	FCBF	
O=c1cc(N2CCNCC2)n(Cc2ccc([N+](=O)[O-])cc2)c2ccnn12	1857760721	UQWFGGWEWKXQIG-UHFFFAOYSA-N	354.370	0.862	5	1	FCBF	
O=c1c2cccc(O)c2oc2c3c(cc(O)c12)O[C@H](C(O)(CO)CO)C3	2356742495	ZKMZMPGQTCUBOY-ZDUSSCGKSA-N	360.318	0.377	5	1	FCBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)[C@H]1C[N+](=O)[O-]	587263691	NUVLTLINTORUAP-BBBLOLIVSA-N	366.399	0.871	5	1	FCBF	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O	238764942	YLPHOAABCKQOPS-JJWOTGEOSA-N	368.450	0.737	5	1	FCBF	
O=C(O)Cc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1	13553639	DTSNQETVKJSQEE-UHFFFAOYSA-N	359.254	0.755	5	1	FCBF	
Nc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1N	587272179	LEZWTJQTRHMGSL-KBPBESRZSA-N	372.341	0.669	5	1	FCBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccc(F)cc3)n1)C2	45255904	SILIYPOLMQRLQB-NSHDSACASA-N	361.293	0.884	5	1	FCBF	
NC(=O)c1cc([N+](=O)[O-])c(N2CCOCC2)cc1NCc1cnc(N)nc1	95920639	HIONZGBUTNQAJK-UHFFFAOYSA-N	373.373	0.515	5	1	FCBF	in-vitro
CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)C[C@H]3C[C@H]3C2=O)c([N+](=O)[O-])c1	103153751	NDQWBYOLPHKHGX-OHILOLKFSA-N	351.336	0.975	5	1	FCBF	
O=[N+]([O-])c1cccc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	27519814	BIMRRZZMTQQCIJ-HJQYOEGKSA-N	357.215	0.719	5	1	FCBF	
CC[N@@+]1(C)CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	253636918	DGCABUGXYLZUDJ-BUXKBTBVSA-O	356.468	0.701	5	1	FCBF	
CCOC(=O)[C@@H](C)[S@@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1	28570741	DURXBBMNTUDMFH-JOTVUTERSA-N	359.389	0.906	5	1	FCBF	
C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@]23O	263638229	SRADQUKTDOQMGD-RGVDCWCQSA-N	366.434	0.657	5	1	FCBF	
Nc1nc(O)c2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1	587273426	UPIFHHONKMEQJR-VIFPVBQESA-N	372.345	0.448	5	1	FCBF	
COCCCN1CCc2ccc(OC)cc2[C@@]12C(=O)NNC=C2[N+](=O)[O-]	961321725	KJLYGVDUHMMNAK-QGZVFWFLSA-N	362.386	0.538	5	1	FCBF	
CN1CCN(C2CCC(CNC(=O)[C@H]3CC[C@H]([N+](=O)[O-])O3)CC2)CC1	66058919	DTKOILXUDVRQFO-QDIHITRGSA-N	354.451	0.691	5	1	FCBF	
COC1=C[C@]23CCC[N+]2([O-])C[C@H](O)c2cc4c(cc2[C@]3(O)[C@@H]1O)OCO4	95911988	MIOYOPCGNBJENN-VKOHVIOCSA-N	363.366	0.402	5	1	FCBF	biogenic,in-vitro
COC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377795126	PYHQOZZIBKZZAT-UHFFFAOYSA-N	371.286	0.379	5	1	FCBF	
CCOC(=O)CN(C)Cc1c(CC)c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	26383320	DVKDTKVRVXOOED-UHFFFAOYSA-N	364.358	0.682	5	1	FCBF	
O=c1n([C@H]2CO[C@@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12	26829170	KYKDJENQQIVNKS-HUUCEWRRSA-N	358.310	0.935	5	1	FCBF	
NC(=O)[C@H]1CCCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1	377795136	QFPHEOZBNLXJQP-QMMMGPOBSA-O	355.287	0.193	5	1	FCBF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1	586939718	RUYNYOCCDDWBKB-SSDOTTSWSA-N	351.348	0.639	5	1	FCBF	
O=c1c2cc([N+](=O)[O-])ccc2n2nnc3ccc(NCCNCCO)c1c32	26728468	PQUUUXBHXKBDEH-UHFFFAOYSA-N	368.353	0.736	5	1	FCBF	
CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[N+](C)([O-])CC3)cc21	150565822	KOHWXWKRVBJAQK-UHFFFAOYSA-N	350.350	0.777	5	1	FCBF	
COc1ncnc(NCCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	58638843	ZIQFGPRCONAHFK-UHFFFAOYSA-N	353.360	0.695	5	1	FCBF	in-vitro
NCC(=O)NCCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	38345044	OTBGHUKFHJXKLH-GFCCVEGCSA-N	352.347	0.023	5	1	FCBF	
CCn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN(C)CC3)nc21	26817335	RMVVPXBMEBRLII-UHFFFAOYSA-N	361.358	0.775	5	1	FCBF	
CN1CCN(C2CCC(CNC(=O)[C@H]3CC[C@@H]([N+](=O)[O-])O3)CC2)CC1	66058921	DTKOILXUDVRQFO-FJBKBRRZSA-N	354.451	0.691	5	1	FCBF	
CC[N@+]1(C)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	253636919	DGCABUGXYLZUDJ-CWTRNNRKSA-O	356.468	0.701	5	1	FCBF	
O=[N+]([O-])c1cccc2c1nnn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	27519240	UTVAXOZNFKWBAQ-QCNRFFRDSA-N	358.203	0.114	5	1	FCBF	
O=[N+]([O-])c1cccc2c1cnn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O	27519249	ZGDGHUHNALCMTO-WRWGMCAJSA-N	357.215	0.719	5	1	FCBF	
Nc1nccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587271646	DTQCAAKWGIXLNC-RYUDHWBXSA-N	358.314	0.481	5	1	FCBF	
COCCCN1CCc2ccc(OC)cc2[C@]12C(=O)NNC=C2[N+](=O)[O-]	961321706	KJLYGVDUHMMNAK-KRWDZBQOSA-N	362.386	0.538	5	1	FCBF	
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]12	4593985	DJZPHYIXNUOVJU-ZDMBXUJBSA-N	374.353	0.486	5	1	FCBF	
CN1CCN(c2ccc3nnc4c([N+](=O)[O-])cnn4c3c2[N+](=O)[O-])CC1	40936928	ZKBGQZPVVZLNMO-UHFFFAOYSA-N	358.318	0.846	5	1	FCBF	
Cc1c(Sc2cccc([N+](=O)[O-])c2)n(COCCO)c(=O)[nH]c1=O	6520166	UPEYCEARDQFTGO-UHFFFAOYSA-N	353.356	0.871	5	1	FCBF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CC[C@@H](C[N+](=O)[O-])C3)N2C(=O)[C@@H]2CCCN12	963217194	PBRBQFFSSPOOSV-HEKSYOIISA-N	359.386	0.440	5	1	FCBF	
CC(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C	238757891	PDTXPVYQALLBPN-RULLNTJZSA-N	357.403	0.256	5	1	FCBF	
O=c1n([C@H]2CO[C@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12	26829175	KYKDJENQQIVNKS-CABCVRRESA-N	358.310	0.935	5	1	FCBF	
CC[N@@+]1(C)CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC	253636915	DGCABUGXYLZUDJ-BLVKFPJESA-O	356.468	0.701	5	1	FCBF	
CCOC(=O)[C@H](C)[S@](=O)c1nnc(-c2ncc([N+](=O)[O-])n2C)s1	28570744	DURXBBMNTUDMFH-LZOWGYHTSA-N	359.389	0.906	5	1	FCBF	
O=[N+]([O-])c1cccc2c1ncn2[C@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@@H]1O	27519808	BIMRRZZMTQQCIJ-KLHWPWHYSA-N	357.215	0.719	5	1	FCBF	
CN1CCN(C2CCC(CNC(=O)[C@@H]3CC[C@H]([N+](=O)[O-])O3)CC2)CC1	66058918	DTKOILXUDVRQFO-SSHXOBKSSA-N	354.451	0.691	5	1	FCBF	
N[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	27106385	KATMOEAJZJEJBP-IKGGRYGDSA-N	359.382	0.675	5	1	FCBF	
COCCOCCOCC[N@@+]1(C)CCC[C@@H]1COCCOCCOC	253632976	JUHJPSJIJNDQFK-RTBURBONSA-N	364.503	0.955	5	1	FCBF	
Cc1ccc(N(C=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])c3c2=[N+]([O-])CN=3)cc1	5808382	DUVAWSIHXJCBJB-UHFFFAOYSA-N	357.282	0.686	5	1	FCBF	
C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CC[N@+]3(C)CC[C@H](OC1=O)[C@@]23O	263638231	SRADQUKTDOQMGD-ZWNBCGLMSA-N	366.434	0.657	5	1	FCBF	
CC(=O)Oc1nc2cc3c(=O)n(C)c(OC(C)=O)nc3cc2c(=O)n1C	27631546	ITEHLAQIILSBHF-UHFFFAOYSA-N	358.310	0.031	5	1	FCBF	
Cn1nnnc1SCn1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1	1772653501	UPCFWVXAFIZTPE-UHFFFAOYSA-N	364.307	0.430	5	1	FCBF	
C[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@H](O)[C@H]1O	2356715140	CQFWUUXJZDGIDM-UXLIUCIESA-N	370.361	0.767	5	1	FCBF	
Cc1[nH]nc(O)c1[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)NC(=O)NC1=O	1857629143	DETFHNGQHBKOFP-JTQLQIEISA-N	359.298	0.446	5	1	FCBF	
O=C(O)[C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	27855962	VWRKNNHQNMGINW-WPRPVWTQSA-N	362.342	0.858	5	1	FCBF	
NCCOCCOCCNCc1cc(O)nc2c([N+](=O)[O-])cccc12	1857630223	JSGZBMIEEQYKFR-UHFFFAOYSA-N	350.375	0.930	5	1	FCBF	
O=c1[nH]c(O)nc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(nc(O)[nH]c1=O)O2	6009952	FKCVSPIAXVCSDP-UHFFFAOYSA-N	371.265	0.459	5	1	FCBF	
N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	58553357	VCFJCQNZGQIONF-XHSDSOJGSA-N	373.365	0.768	5	1	FCBF	
CC(=O)O[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440460	ISJZRGVAXJYILG-LLVKDONJSA-N	359.187	0.689	5	1	FCBF	
N[C@H](Cc1ccccc1)C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	95547538	KATMOEAJZJEJBP-IXDOHACOSA-N	359.382	0.675	5	1	FCBF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1	586939719	RUYNYOCCDDWBKB-ZETCQYMHSA-N	351.348	0.639	5	1	FCBF	
O=C(NCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC1	26993797	JCTCWKWHIQNKLQ-UHFFFAOYSA-N	365.346	0.385	5	1	FCBF	
N=C(CF)NCCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(N)=O	73138590	BFTJZPPYQCJEJO-JTQLQIEISA-N	355.326	0.201	5	1	FCBF	
O=C(O)COc1cccc2c1n(O)c1cccc(OCC(=O)O)c1[n+]2=O	1857761788	IOTZWEJGYVNHFQ-UHFFFAOYSA-O	361.286	0.873	5	1	FCBF	
COc1nccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12	587271851	IHWIRYFHUULDFO-STQMWFEESA-N	373.325	0.908	5	1	FCBF	
C/C=C1\C[C@@H](C)[C@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O	85856855	SRADQUKTDOQMGD-IYVGIERTSA-N	366.434	0.657	5	1	FCBF	
CC(C)[C@@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23	238759282	GHXSYXQURAMQQE-UBESPMEMSA-N	369.414	0.256	5	1	FCBF	
C[C@@H]1O[C@H](OC(=O)c2cccc3nc4ccccc4nc23)[C@H](O)[C@@H](O)[C@H]1O	2356715139	CQFWUUXJZDGIDM-HNYQSSBKSA-N	370.361	0.767	5	1	FCBF	
C[C@H](Cn1nccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	73196679	NRBWOEDMKJCTAZ-SNVBAGLBSA-N	364.369	0.689	5	1	FCBF	
NCCN1CCN2C(=O)CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12	61947647	RQFAPQSYHKEZIH-ZDUSSCGKSA-N	373.335	0.863	5	3	FCBF	
CC1(C)NC(=N)NC(=N)N1OCCCNC(=O)c1ccc([N+](=O)[O-])cc1	45187193	ABCYVIYHTLDBNI-UHFFFAOYSA-N	363.378	0.747	5	1	FCBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(CO)cc2[nH]1	587271260	BHKFLVPPIGVCRR-GJZGRUSLSA-N	372.337	0.996	5	1	FCBF	
Nc1nc2oc3ccc(N4CCOCC4)cc3c(=O)c2cc1-c1nn[nH]n1	1857655296	IUYVWTVARMTLCH-UHFFFAOYSA-N	365.353	0.940	5	1	FCBF	
COc1ccc(-n2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cn1	45254906	WHCKCUNSMLTHIL-LBPRGKRZSA-N	373.329	0.753	5	1	FCBF	
O=C(O)[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1	27855947	VWRKNNHQNMGINW-WCBMZHEXSA-N	362.342	0.858	5	1	FCBF	
O=C(O)CNCCNCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587229249	SRLZNVMPHUVQJI-UHFFFAOYSA-N	372.179	0.997	5	1	FCBF	
COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	82149928	KXRQJPTVLQXNKU-SECBINFHSA-N	359.316	0.829	5	1	FCBF