smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)OC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2C(=O)O)CC1	52507802	BXPDSSDKTZYQFY-UHFFFAOYSA-N	352.347	1.745	5	50	FDBA	
CN1CCN(CCCN2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1	4906016	QGPWMGQFLHUUKX-QGZVFWFLSA-N	364.471	1.806	5	50	FDBA	
COc1nn([C@@H](C)C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	5950544	MHLDSXWEAMJATC-CPCISQLKSA-N	365.268	1.220	5	50	FDBA	
CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CCC2	1836879	LRIPDHLGXWVKMZ-UHFFFAOYSA-N	365.371	1.552	5	50	FDBA	
O=C(NCc1ccccc1Cl)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	4743307	PMDNMRAFGXLYLK-UHFFFAOYSA-N	362.733	1.806	5	50	FDBA	
NS(=O)(=O)c1ccc(N[C@H](C(=O)O)c2ccccc2)c([N+](=O)[O-])c1	170626170	DBXHBVSPOFDEGY-ZDUSSCGKSA-N	351.340	1.480	5	50	FDBA	
COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	5336184	QCWCHLAEFLCDDO-HNNXBMFYSA-N	364.379	1.657	5	50	FDBA	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	844410	RIVDJBDQNBRMOQ-DZGCQCFKSA-N	361.354	1.945	5	50	FDBA	biogenic
CS(=O)(=O)N(CC(=O)NCc1ccncc1)c1cccc([N+](=O)[O-])c1	1126245	YGVWZXYILSGUOA-UHFFFAOYSA-N	364.383	1.072	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)nc1N1CCC[C@@H](CO)C1	221941554	UHCLJKWAFUIBCE-ZIAGYGMSSA-N	350.419	1.407	5	50	FDBA	
Cc1cc2c(=O)n(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)c(C)nc2s1	2777938	RTIVJNZMGOPPQB-UHFFFAOYSA-N	362.371	1.409	5	50	FDBA	
O=C1C[C@@H]2OC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@H]5[C@@H]2[C@H]3C[C@@H]46	245312290	SWMNDZUNHXZQLU-QVNFGNLOSA-N	365.389	1.958	5	50	FDBA	
Cn1nc([N+](=O)[O-])nc1Oc1cccc(Oc2nc([N+](=O)[O-])nn2C)c1	12427793	VFOJAQDUIBJLMJ-UHFFFAOYSA-N	362.262	1.345	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCN(C(=S)NC[C@H]3CCCO3)CC2)cc1	5042055	JLUFGBPQFYBVJP-OAHLLOKOSA-N	350.444	1.770	5	50	FDBA	
CN1CCN(c2ncccc2CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1	447695203	VTXNZXOBDCSWOG-UHFFFAOYSA-N	367.413	1.652	5	50	FDBA	
CC(C)[C@@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	240668550	HNIGCPRWUGFBGD-SECBINFHSA-N	370.214	1.690	5	50	FDBA	
C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCCC1=O	170619807	MQOLTVAIQBLLNK-JTQLQIEISA-N	359.379	1.413	5	50	FDBA	
COc1ccc(-n2nnnc2SCCn2c([N+](=O)[O-])cnc2C)cc1	680524	ALGUZPPGOHJBID-UHFFFAOYSA-N	361.387	1.876	5	50	FDBA	
CC(C)[C@H](NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O	240668551	HNIGCPRWUGFBGD-VIFPVBQESA-N	370.214	1.690	5	50	FDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(C2CCNCC2)o1	725373854	DJCIPZLXHOTTAZ-UHFFFAOYSA-N	353.360	1.246	5	50	FDBA	
O=C([C@H]1CCCO1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1	4685232	PWKBJOHLZMBOSG-CQSZACIVSA-N	364.427	1.615	5	50	FDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)[C@H](O)c1ccccc1	5009999	HGCKJFOQVURIHX-JKSUJKDBSA-N	360.322	1.277	5	50	FDBA	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CC(=O)N1CCc2ccccc21	874238	GFQGIENEHCZCRQ-UHFFFAOYSA-N	351.318	1.780	5	50	FDBA	
CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C2CCCC2)c1=N	100662478	GCKYYSVIEVAOPS-UHFFFAOYSA-N	351.410	1.912	5	50	FDBA	
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	229904054	NECZUMLEHFZZAC-KSSFIOAISA-N	372.381	1.593	5	50	FDBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	100081411	NGCADDLCEFIJRL-GREKMHCPSA-N	355.350	1.649	5	50	FDBA	
O=C(Cc1cccc([N+](=O)[O-])c1)NCCCn1nc2n(c1=O)CCCC2	170640847	WKOYCEVYBAYZMZ-UHFFFAOYSA-N	359.386	1.038	5	50	FDBA	
CNC(=O)c1ccn([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1	225417377	DFJZMAUFMXZJPU-AWEZNQCLSA-N	357.370	1.628	5	50	FDBA	
COC1(c2nc(C3CC3)no2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1	225838701	ZUJLVCMEJZXZBN-UHFFFAOYSA-N	362.390	1.689	5	50	FDBA	
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc12	4708614	SHPHLUIFAHDPOV-UHFFFAOYSA-N	359.407	1.177	5	50	FDBA	
CCOCCCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21	100628033	RULBWHQJVCKPCO-UHFFFAOYSA-N	356.382	1.342	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCC2)N2CCCC2)cc1	2855761	BZEKZLWWRJVDTR-MRXNPFEDSA-N	367.471	1.929	5	50	FDBA	
COCCn1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O	32094598	BUEMJVQNRAXQHZ-UHFFFAOYSA-N	351.362	1.999	5	50	FDBA	
Cc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1	36125576	YKXIFDSMVJQJML-UHFFFAOYSA-N	374.360	1.768	5	50	FDBA	
O=C(NC1CC1)N[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1	170595353	CTMVUXJVIXQDFB-CQSZACIVSA-N	362.386	1.497	5	50	FDBA	
CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	899625	JAEQNPWWRSPDCF-UHFFFAOYSA-N	355.416	1.474	5	50	FDBA	
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1	19831982	FNGDMBMUZIZSRR-UHFFFAOYSA-N	373.369	1.015	5	50	FDBA	
NS(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	2848007	ZQKAOWSFWDGVMO-UHFFFAOYSA-N	351.340	1.260	5	50	FDBA	
COCCn1ccc2nc3ccn(C[C@H]4CCCO4)c(=O)c3cc2c1=O	32072436	UVQUTBWGDZNSCP-CYBMUJFWSA-N	355.394	1.537	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCCn1ccnc1	2069956	QEMSOQZNGFXQAR-UHFFFAOYSA-N	371.195	1.265	5	50	FDBA	
Cc1c(COC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(C)C(=O)[C@H]32)cccc1[N+](=O)[O-]	252679666	PVAIHHIQTBZAQW-YEHMFOAPSA-N	372.377	2.000	5	50	FDBA	
COc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	4534979	YIWWUFILXSPOHM-UHFFFAOYSA-N	352.368	1.961	5	50	FDBA	
COC(=O)c1ccc(NC(=O)COn2nnc3ccc([N+](=O)[O-])cc32)cc1	2858599	GMVUBJNOGJUEOV-UHFFFAOYSA-N	371.309	1.193	5	50	FDBA	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1	450806005	FBRSGPGKMDDUJV-WZRBSPASSA-N	355.416	1.230	5	50	FDBA	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2C[C@H](O)CC[C@@H]2C1	450806003	FBRSGPGKMDDUJV-NQBHXWOUSA-N	355.416	1.230	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)NCCCN1CCCC1=O	5041662	HDPRLDLSEUWXJI-UHFFFAOYSA-N	352.416	1.902	5	50	FDBA	
COc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	3901786	SKPZDLHNODPGGO-UHFFFAOYSA-N	355.306	1.838	5	50	FDBA	
Cc1nn(CC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1[N+](=O)[O-]	2198315	BYHHTSWBLHUHQF-UHFFFAOYSA-N	351.388	1.824	5	50	FDBA	
CCCCn1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O	40372903	RXDSLRVHWCLUDB-UHFFFAOYSA-N	350.382	1.927	5	50	FDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1O	100081295	VCUPCHBJFCBBEK-WDQYXFPCSA-N	357.322	1.046	5	50	FDBA	
CN(C)S(=O)(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	4688292	BPINKHIQLIKIHI-UHFFFAOYSA-N	356.326	1.422	5	50	FDBA	
COc1ccccc1-n1ccc2nc3ccn(CCO)c(=O)c3cc2c1=O	38828957	LUGZPKQUTMKJBK-UHFFFAOYSA-N	363.373	1.702	5	50	FDBA	
CC(=O)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F	226354843	NOUGBGSAULFXJN-SCVCMEIPSA-N	363.248	1.110	5	50	FDBA	
Cn1ncnc1[C@H]1COCCN1c1ncc([N+](=O)[O-])cc1Br	253419407	OCAHTEODFFXOLC-SNVBAGLBSA-N	369.179	1.459	5	50	FDBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1	254378109	BZWTZGOVCSUDMR-ZQDZILKHSA-N	368.349	1.007	5	50	FDBA	
CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1	1135289	CKPZVWRTWSRFLA-UHFFFAOYSA-N	350.356	1.395	5	50	FDBA	
COc1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1F	184256691	RNYYIHKZSKTAQE-GFCCVEGCSA-N	358.391	1.894	5	50	FDBA	
N[C@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	170615020	AELLKHDLLUSLOA-GZMMTYOYSA-N	353.322	1.638	5	50	FDBA	
CCOC(=O)C1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)CC1	841295	GPZLXNLCPGCBGA-UHFFFAOYSA-N	364.354	1.797	5	50	FDBA	
C[C@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1	1834756	IPAMMJRDXUHXKX-ZETCQYMHSA-N	364.387	1.110	5	50	FDBA	
COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N	100627552	MCVRPCMOTQNFQJ-UHFFFAOYSA-N	361.361	1.359	5	50	FDBA	
C[C@@H](C(=O)NCc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1137936	UDAAERQPADGNCH-NSHDSACASA-N	353.334	1.896	5	50	FDBA	
O=C(NCCCN1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	20266152	KGYCDYAHEUVOHX-UHFFFAOYSA-N	362.430	1.647	5	50	FDBA	
COC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	754785	QDKSMMCKXBJSTE-CQSZACIVSA-N	350.352	1.787	5	50	FDBA	
COc1cc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc(OC)c1OC	1425768	SWWYPEJZDKMRMJ-UHFFFAOYSA-N	350.331	1.764	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](CN2CCCC2)N2CCCC2)cc1	2855762	BZEKZLWWRJVDTR-INIZCTEOSA-N	367.471	1.929	5	50	FDBA	
O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCCCCO	241701797	QLEJPPPGDQZLPB-UHFFFAOYSA-N	353.194	1.408	5	50	FDBA	
Cc1ccc(S(=O)(=O)NCc2nnc3n2CCCC3)c([N+](=O)[O-])c1	170613252	HIYVWEYZTJMOMF-UHFFFAOYSA-N	351.388	1.310	5	50	FDBA	
Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-]	1183126	RCDJIXDAHSIBCT-UHFFFAOYSA-N	363.395	1.523	5	50	FDBA	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)ccc1O	225616563	ITHFMIHWZMFDJA-CYBMUJFWSA-N	366.351	1.917	5	50	FDBA	
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	1208368	QAIHMGGRVMYJOR-QZTJIDSGSA-N	367.361	1.967	5	50	FDBA	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1	251925130	CARPHKDXSCYZGD-DOMZBBRYSA-N	369.443	1.233	5	50	FDBA	
C[C@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O	5092524	DBCBYQRTPCDLER-YWEFTTLKSA-N	373.321	1.548	5	50	FDBA	
CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc(C(=O)OC)c1	71767353	HJQRXCVQVGBPSS-ICFOKQHNSA-N	364.383	1.923	5	50	FDBA	
Cn1cc(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)n2)cn1	151064713	HDJGURCEDJEDND-UHFFFAOYSA-N	360.355	1.252	5	50	FDBA	
CCOC(=O)c1csc([C@@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)n1	170611267	WAVAQOBNXQNGBZ-VIFPVBQESA-N	364.387	1.942	5	50	FDBA	
CN1CCN(CCCN2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1	4906015	QGPWMGQFLHUUKX-KRWDZBQOSA-N	364.471	1.806	5	50	FDBA	
Cc1nc([N+](=O)[O-])c(-c2noc(CCn3c(C)csc3=O)n2)n1C	225554180	SUJFFJFOQJDCLV-UHFFFAOYSA-N	350.360	1.461	5	50	FDBA	
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1	52507875	CWHSHYKUHDXSNT-SNVBAGLBSA-N	366.374	1.880	5	50	FDBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCOCC1	4058899	WUBXFIKHLXVXJB-UHFFFAOYSA-N	369.443	1.996	5	50	FDBA	
Cc1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c(=O)n(-c2ccccc2)n1C	1423171	OBLLYLITZUODKZ-LBPRGKRZSA-N	370.369	1.789	5	50	FDBA	
COc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	2773955	PXHXIJZYEFYFPN-UHFFFAOYSA-N	365.367	1.181	5	50	FDBA	
O=C(O)CN(c1ccc(O)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	3140822	MKOXYUXYNSZHKW-UHFFFAOYSA-N	352.324	1.580	5	50	FDBA	
Cn1cc(-c2ccnc(C3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC3)n2)cn1	952894326	ZLVVBYOLXKHJCK-UKRRQHHQSA-N	356.386	1.248	5	50	FDBA	
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1	6850049	GNRCPAKJZOZSRA-UHFFFAOYSA-N	361.807	1.858	5	50	FDBA	
CCOc1ccc([C@H](C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)cc1OCC	2191461	XTQPRZPRVLBFLQ-LBPRGKRZSA-N	369.370	1.807	5	50	FDBA	
Nc1nc(NCCN2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-]	170631792	QJPKBCIHYGAHNG-UHFFFAOYSA-N	357.418	1.197	5	50	FDBA	
Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2cc(Br)cn2)n1	2778591	RYPHZDFINSQNBR-UHFFFAOYSA-N	357.168	1.107	5	50	FDBA	
O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1	103898742	YMEQXIDDMOCSPE-XMUKKISLSA-N	361.741	1.700	5	50	FDBA	
CC(C)(C)OC(=O)N1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C(=O)O	169725772	FDVVNOJZILGVLF-NSHDSACASA-N	352.347	1.500	5	50	FDBA	
CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(O)cc1[N+](=O)[O-]	170595789	QDEPORDXQDXCIU-UHFFFAOYSA-N	367.402	1.646	5	50	FDBA	
COC(=O)c1cc([N+](=O)[O-])c(N2CCCN([C@@H](C)CO)CC2)cc1Cl	364958476	XOMPKNPJRVUDAP-NSHDSACASA-N	371.821	1.928	5	50	FDBA	
O=C(O)CNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	2271220	DNAOREXTJBCPCP-XYOKQWHBSA-N	359.294	1.160	5	50	FDBA	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	844409	RIVDJBDQNBRMOQ-HIFRSBDPSA-N	361.354	1.945	5	50	FDBA	biogenic
CCn1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1	6286781	MCOYZHYBLCSEIP-UHFFFAOYSA-N	365.415	1.322	5	50	FDBA	
NS(=O)(=O)c1ccc(CNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1	5042078	VQPHEXKTNGDVGS-UHFFFAOYSA-N	366.424	1.729	5	50	FDBA	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	1060036	LMFRIRMAEBKYDN-HIFRSBDPSA-N	361.354	1.945	5	50	FDBA	
COC(=O)c1cc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc(C(=O)OC)c1	1074148	SUQPTDQGEROLGE-UHFFFAOYSA-N	362.298	1.154	5	50	FDBA	
Cc1cc(C)n(C(=O)CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	754782	VONUUWXNRJTCNU-UHFFFAOYSA-N	352.372	1.369	5	50	FDBA	
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	1193348	QICXIQJQSGCWGE-UHFFFAOYSA-N	361.379	1.699	5	50	FDBA	
Cn1/c(=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2ccccc21	4773329	AXRZTHAJQALJHG-PFONDFGASA-N	364.408	1.942	5	50	FDBA	
COC(=O)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	754786	QDKSMMCKXBJSTE-AWEZNQCLSA-N	350.352	1.787	5	50	FDBA	
COC(=O)[C@H](CC(C)C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	1149964	LGVDALYCOJLLOA-NSHDSACASA-N	354.359	1.930	5	50	FDBA	
Cc1ccc(O)c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	1177704	ZSLIEDLOJMVGEG-UHFFFAOYSA-N	355.306	1.844	5	50	FDBA	
O=C1c2ccccc2C(=O)N1OC[C@H](O)COc1ccc([N+](=O)[O-])cc1	1147607	RCDQULMMWFROOD-GFCCVEGCSA-N	358.306	1.562	5	50	FDBA	
COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(OC)cc2F)cn1	253425685	VTSDMUCIRUBEHF-UHFFFAOYSA-N	357.319	1.947	5	50	FDBA	
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN2CCOC[C@@H]2C1	170594822	MJMCXKIZXNXCCL-INIZCTEOSA-N	374.441	1.742	5	50	FDBA	
Cc1nn(C)c(C(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c1[N+](=O)[O-]	1015942	HXZXHYIABOHGSB-LLVKDONJSA-N	353.232	1.057	5	50	FDBA	
CN1CCN(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1	5065316	ZCLYVHSOKXDOKX-UHFFFAOYSA-N	357.208	1.543	5	50	FDBA	
COC(=O)COc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	5065666	YIWGGVAAPSTPRU-UHFFFAOYSA-N	366.351	1.947	5	50	FDBA	
COc1ccc(S(=O)(=O)NCCCO[C@@H]2CCCCO2)cc1[N+](=O)[O-]	225547658	KDTYDYWPDOMBST-OAHLLOKOSA-N	374.415	1.815	5	50	FDBA	
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	36383965	RYJPTMBHRBJJPC-IZZDOVSWSA-N	352.324	1.900	5	50	FDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N(CC(F)(F)F)C1CCNCC1	725373567	ZGEFIWMACPDSDY-UHFFFAOYSA-N	367.349	1.900	5	50	FDBA	
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	4036619	HLXQNFFNSYYJGI-AWEZNQCLSA-N	372.381	1.547	5	50	FDBA	
O=C(c1cc([N+](=O)[O-])[nH]n1)N1CCCN(C(=O)c2ccccc2F)CC1	253417283	VTZWGPFEBCDDOV-UHFFFAOYSA-N	361.333	1.445	5	50	FDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	100082473	HDGUXDXBVUDVSL-NXPNQGMMSA-N	371.349	1.349	5	50	FDBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1	4703589	GDZYZYFWKHXLHQ-UHFFFAOYSA-N	368.459	1.667	5	50	FDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1	101696781	CTLRFYLARKOCDB-DPDCMNJDSA-N	357.366	1.955	5	50	FDBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]2C1	248078329	ZXGOGWPONWULQX-MAZCYNQFSA-N	372.381	1.450	5	50	FDBA	
CCOC(=O)COc1ccc(/C=C/[N+](=O)[O-])c(OCC(=O)OCC)c1	712228	HRYDWTDZCFVFRH-BQYQJAHWSA-N	353.327	1.818	5	50	FDBA	
CCOC(=O)Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	6088635	GIDZENNFVLMYKK-UHFFFAOYSA-N	371.396	1.958	5	50	FDBA	
O=C(NC[C@@H](NCc1ccccc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	328592395	YBZXJOXKUZBXKO-LLVKDONJSA-N	357.292	1.768	5	50	FDBA	
O=C(Cn1nc([N+](=O)[O-])nc1Br)NCCc1ccccc1	1433043	RVWMTEQEDKDISG-UHFFFAOYSA-N	354.164	1.308	5	50	FDBA	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1O	225616591	ITHFMIHWZMFDJA-ZDUSSCGKSA-N	366.351	1.917	5	50	FDBA	
COC(=O)c1nn2cc(-n3cc([N+](=O)[O-])cn3)cnc2c1Br	1080354	JECQBEKXKQVZJP-UHFFFAOYSA-N	367.119	1.372	5	50	FDBA	
C[C@@H](NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)c1nccs1	299780405	UUSFSBPETYFFBH-SSDOTTSWSA-N	357.369	1.789	5	50	FDBA	
O=C(Nc1nnc(CC(=O)N2CCCC2)s1)c1cccc([N+](=O)[O-])c1	1132779	IYCSJAJYPPZYIL-UHFFFAOYSA-N	361.383	1.864	5	50	FDBA	
Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	1136090	MUULFGNAINMBHV-UHFFFAOYSA-N	364.379	1.925	5	50	FDBA	
NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1	2882555	WZRLJUWYHUWGNO-UHFFFAOYSA-N	370.365	1.783	5	50	FDBA	
O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	3657468	NCCMKBRTIATIBC-UHFFFAOYSA-N	356.246	1.792	5	50	FDBA	
O=C(Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1)c1nc2ncccn2n1	2808668	VHORSVAPPVHVPI-UHFFFAOYSA-N	364.268	1.929	5	50	FDBA	
CC(C)(C)OC(=O)C[S@](=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	6682072	HMVYESCICYSOEP-JOCHJYFZSA-N	363.413	1.448	5	50	FDBA	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	36042410	LDLRZDOGUJMHHZ-ZDUSSCGKSA-N	365.342	1.890	5	50	FDBA	
O=C(Nc1ccc2c(c1)C(=O)NC2=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3065010	KWEYIUVHVLQWDD-UHFFFAOYSA-N	356.250	1.639	5	50	FDBA	
CCOC(=O)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	2315322	UWYFMDJTWUHYCH-UHFFFAOYSA-N	371.396	1.958	5	50	FDBA	
CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1	170646563	CEMPHMKOUPULBF-GFCCVEGCSA-N	367.406	1.649	5	50	FDBA	
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21	1058965	DXTZZLUJYBIQAD-UHFFFAOYSA-N	362.367	1.586	5	50	FDBA	
COC(=O)[C@H](CCSC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2860019	HCSNOKSOBLCQTI-NSHDSACASA-N	357.344	1.528	5	50	FDBA	
O=C(O)c1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])ccc1C(=O)O)C2=O	4713399	LLTMSFZCLJTSRG-UHFFFAOYSA-N	356.246	1.792	5	50	FDBA	
C[C@H](Cn1cncn1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	815009268	CNZPXCYYMYOKRM-SSDOTTSWSA-N	363.758	1.346	5	50	FDBA	
Cc1ccn(S(=O)(=O)c2ccc(N3CCCC3=O)c([N+](=O)[O-])c2)n1	4524596	ZZNLQQDNPVBWQI-UHFFFAOYSA-N	350.356	1.464	5	50	FDBA	
O=C(CNS(=O)(=O)c1ccccc1)OCc1cccc([N+](=O)[O-])c1	1136507	ZSFXJNZYJFDAKR-UHFFFAOYSA-N	350.352	1.617	5	50	FDBA	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nccc(-c3cncnc3)n2)CC1	952893433	TYALYWIDXINNKG-UKRRQHHQSA-N	354.370	1.305	5	50	FDBA	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	253666865	PLGBHVNNYDZWGZ-ZFXDRFGGSA-N	351.399	1.205	5	50	FDBA	biogenic,in-vitro
O=C(O)CNC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	1145170	CATGYUDMJLVJHJ-UHFFFAOYSA-N	369.289	1.210	5	50	FDBA	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1	4263287	UHTFJDZDTLUWCV-NSHDSACASA-N	372.399	1.567	5	50	FDBA	
Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cccc1[N+](=O)[O-]	1180780	ZGANYBGBWBBDMU-UHFFFAOYSA-N	363.395	1.523	5	50	FDBA	
Cc1ccc([C@H](C)NC(=O)CCn2nc3ccccn3c2=O)cc1[N+](=O)[O-]	170653408	NQXLLIOFEAKIMJ-ZDUSSCGKSA-N	369.381	1.980	5	50	FDBA	
CCOC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	4845573	WZMDAPRZDYAUEG-UHFFFAOYSA-N	357.388	1.366	5	50	FDBA	
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc([N+](=O)[O-])cc1	862154	OAUAGMWXVLWVJA-UHFFFAOYSA-N	363.399	1.341	5	50	FDBA	
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(S(N)(=O)=O)cc1	1791975	NLLZIDRHMVNNIO-UHFFFAOYSA-N	373.778	1.039	5	50	FDBA	
Cc1ccc(-n2ccc3c(cnc4ccn(-n5cnnc5)c(=O)c43)c2=O)cc1	72119342	YLAWBAUUYSVEED-UHFFFAOYSA-N	370.372	1.912	5	50	FDBA	
CCOC(=O)COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	5060408	VNVOWFIOCNDAED-VMPITWQZSA-N	361.310	1.496	5	50	FDBA	
CCOC(=O)C1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	6463396	VLQGPZRMOXQKLL-UHFFFAOYSA-N	365.386	1.817	5	50	FDBA	
O=C(NC[C@H](O)COc1ccc(F)cc1)c1ccc(O)cc1[N+](=O)[O-]	170595812	NJVGEPZANVCTLZ-LBPRGKRZSA-N	350.302	1.609	5	50	FDBA	
O=C(O)COCCNc1ccc([N+](=O)[O-])cc1I	118681937	SZOYFSPOMMKMGJ-UHFFFAOYSA-N	366.111	1.713	5	50	FDBA	
CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)C1	67694999	KUPNLACGMBXDLA-KGLIPLIRSA-N	365.433	1.818	5	50	FDBA	
N[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	170684712	KVTAWROXUUWGFT-CQSZACIVSA-N	357.338	1.851	5	50	FDBA	
CCn1c(=N)c(C(=O)OCCCOC)cc2c(=O)n3cccc(C)c3nc21	100631444	XIEOSJQTKHTLNA-UHFFFAOYSA-N	370.409	1.650	5	50	FDBA	
O=C(NC[C@H](NCc1ccccc1)C(F)(F)F)c1n[nH]cc1[N+](=O)[O-]	328592396	YBZXJOXKUZBXKO-NSHDSACASA-N	357.292	1.768	5	50	FDBA	
NC(=O)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1N1CCCCC1	1875309258	BMKZAOOQTNGTEI-UHFFFAOYSA-N	358.358	1.659	5	50	FDBA	
Cn1c(=O)c2c(nc(SCc3cccc([N+](=O)[O-])c3)n2C)n(C)c1=O	13647316	CAWFGPKQOSNPHT-UHFFFAOYSA-N	361.383	1.171	5	50	FDBA	
COc1ccc(Cn2cc(Br)c(=O)[nH]c2=O)cc1[N+](=O)[O-]	1128797	QZCKFXKZLQVPSO-UHFFFAOYSA-N	356.132	1.264	5	50	FDBA	
O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C12CC2	245238603	VXATYHIRCKFCEU-XYHOJCAOSA-N	370.321	1.709	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NC[C@H]1CCCO1	1070625	PQUWSLICYVWTPE-DTWKUNHWSA-N	361.196	1.718	5	50	FDBA	
CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccc([N+](=O)[O-])c1	4867513	WCWSWCUHEDNFPD-AWEZNQCLSA-N	357.374	1.739	5	50	FDBA	
CNS(=O)(=O)c1ccc(N(CCO)[C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1	252478427	AMCXBAMNCXEFHM-DGCLKSJQSA-N	357.432	1.490	5	50	FDBA	
CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1	1133573	NDFGBQUWRMDOOF-UHFFFAOYSA-N	364.383	1.072	5	50	FDBA	
O=C(O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	100835636	RAGGWTPFKOIIQF-RYUDHWBXSA-N	359.338	1.656	5	50	FDBA	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]12C(=O)Nc1ccccc12	4721897	GCFFRHQNRSWCGR-QGZVFWFLSA-N	352.306	1.940	5	50	FDBA	
CCn1ncc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1C(N)=O	2781681	CLTQFXHLQZUHMQ-UHFFFAOYSA-N	373.329	1.000	5	50	FDBA	
COc1cc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)c([N+](=O)[O-])cc1OC	170614077	VSOLGQYBKBDUPW-SNVBAGLBSA-N	372.399	1.261	5	50	FDBA	
Cc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c1	252673053	QUTHTLKZZOOSHO-UKRRQHHQSA-N	369.443	1.739	5	50	FDBA	
COC(=O)c1cc(C(=O)N2CCC(C(=O)OC)CC2)cc([N+](=O)[O-])c1	1183116	LAXGYJSNVIQBPF-UHFFFAOYSA-N	350.327	1.407	5	50	FDBA	
CC(C)(C)OC(=O)[C@@H](N)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	725374378	KITIJLKXPRNQGV-ZDUSSCGKSA-N	373.431	1.322	5	50	FDBA	
O=C1NC(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(Cc3ccccc3)[C@H]12	169304756	RFUQXKAMMYOFQW-HOCLYGCPSA-N	350.334	1.456	5	50	FDBA	
CCS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1	2850524	DAWQPSSPETWCRO-UHFFFAOYSA-N	355.416	1.903	5	50	FDBA	
C[C@H](NS(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1)c1nccs1	299780415	UUSFSBPETYFFBH-ZETCQYMHSA-N	357.369	1.789	5	50	FDBA	
O=[N+]([O-])c1ccc(OC[C@H](O)CNC[C@@H]2COc3ccccc3O2)cc1	4142734	FCFAYBLAXKAHDB-GDBMZVCRSA-N	360.366	1.764	5	50	FDBA	
Cc1nn(CC(=O)Nc2cccc(CN3CCOCC3)c2)c(C)c1[N+](=O)[O-]	20602166	HKRAAUBJYLEKCT-UHFFFAOYSA-N	373.413	1.879	5	50	FDBA	
Cc1nn(C[C@@H](C)c2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-]	2802204	JIKOJPDKUZLJAU-MRVPVSSYSA-N	355.362	1.536	5	50	FDBA	
Cc1n[n+]2c(C(=O)Nc3nnc(C(C)C)s3)c(C)[nH]n2c1[N+](=O)[O-]	12372005	VSUVZWKDQFATKM-UHFFFAOYSA-O	351.372	1.000	5	50	FDBA	
COC[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1	193668567	WFVXZCLKWAINGQ-CABCVRRESA-N	354.794	1.783	5	50	FDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccn2)CC1	19842608	XMXYHYOJVBZUAH-UHFFFAOYSA-N	362.411	1.496	5	50	FDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	245227792	QKOGNDPRIJAJBD-PQTQVYOHSA-N	367.361	1.586	5	50	FDBA	
COC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2729113	LFZKEMVSPVPLGT-JTQLQIEISA-N	357.344	1.528	5	50	FDBA	
NC(=O)CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12	170621843	FBKHUIYFGSEDNQ-UHFFFAOYSA-N	363.402	1.882	5	50	FDBA	
COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	36229322	PGWFUBSWGAQANV-LBPRGKRZSA-N	351.315	1.452	5	50	FDBA	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCN(CCO)CC1	19758150	QBTMMSCUEZTXQX-UHFFFAOYSA-N	364.280	1.636	5	50	FDBA	
COC(=O)[C@H]1CCN2C(=O)N(c3ccc(OC)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1	277992171	FLQJZRYIVULXHL-CABZTGNLSA-N	363.326	1.324	5	50	FDBA	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2C[C@H](O)CC[C@H]2C1	450806004	FBRSGPGKMDDUJV-NTZNESFSSA-N	355.416	1.230	5	50	FDBA	
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1c1cc([N+](=O)[O-])ccc1O	43204108	VXZXOMDZRJBUGH-GFCCVEGCSA-N	360.326	1.590	5	50	FDBA	
CC(=O)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])C[C@@H]1C	4593440	BZSMDKHFSUYNCK-LBPRGKRZSA-N	366.393	1.628	5	50	FDBA	
COc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-]	2826992	PCDXLPCOXOYUKS-UHFFFAOYSA-N	374.378	1.829	5	50	FDBA	
O=C(O)CC1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCCC1	262915119	NNYJXAMLRJHVCD-UHFFFAOYSA-N	363.370	1.618	5	50	FDBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	229904208	DQGQVAGIUNPNRS-KBXCAEBGSA-N	372.381	1.595	5	50	FDBA	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	842279	RWPZEPUIXXJECQ-AWEZNQCLSA-N	363.326	1.857	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccco3)CC2)cc1	35624659	FHZKLWCHYRBMHS-UHFFFAOYSA-N	351.384	1.694	5	50	FDBA	
Cc1cc(OCC(=O)NS(=O)(=O)c2ccccc2)ccc1[N+](=O)[O-]	225386849	QVXHDAQSUNTDFQ-UHFFFAOYSA-N	350.352	1.787	5	50	FDBA	
CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	156129087	LPIKCQVNGWAMMG-LBPRGKRZSA-N	361.354	1.870	5	50	FDBA	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOCCOCCO2	3896098	LQXOKBZWNFJJGI-UHFFFAOYSA-N	357.359	1.432	5	50	FDBA	in-vitro
C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1	1875372205	ZWZOCBAPJAFOFM-KBPBESRZSA-N	361.402	1.379	5	50	FDBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@@H](O)C[n+]2ccccc2)c([N+](=O)[O-])c1	107399410	UTCWWUNRAZVPDS-NSHDSACASA-N	365.278	1.139	5	50	FDBA	
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	16115614	OCSWWMCZXCADRI-UHFFFAOYSA-N	357.369	1.043	5	50	FDBA	
COc1cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc(OC)c1O	427518249	DEEFIJPTXDUMQD-UHFFFAOYSA-N	364.358	1.566	5	50	FDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	101696820	MQBXZXGVNYMYDP-DPDCMNJDSA-N	355.350	1.731	5	50	FDBA	
CC(C)(C)OC(=O)N1CCN(c2cnccc2[N+](=O)[O-])C[C@H]1C(=O)O	169725780	PDZWRHMUQBLUPK-LBPRGKRZSA-N	352.347	1.500	5	50	FDBA	
Cn1/c(=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2ccccc21	25691906	CDSKWDVWXFDYBE-PFONDFGASA-N	364.408	1.942	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCN(C(=S)NC[C@@H]3CCCO3)CC2)cc1	5042054	JLUFGBPQFYBVJP-HNNXBMFYSA-N	350.444	1.770	5	50	FDBA	
O=[N+]([O-])c1cc2c(cc1Nc1cnn([C@@H]3CCS(=O)(=O)C3)c1)OCC2	2325829682	PRDDROKSPJIALN-GFCCVEGCSA-N	364.383	1.829	5	50	FDBA	
NC(=O)c1ncn(C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1N	225813772	HJCFHHCLGTVXEN-UHFFFAOYSA-N	364.793	1.967	5	50	FDBA	
O=C(NCCCN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	19789853	JDELIZJINUNKNL-UHFFFAOYSA-N	361.354	1.153	5	50	FDBA	
COc1ccc([C@@H](N)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	170684737	AUHFIAMSBWADBC-HNNXBMFYSA-N	351.384	1.582	5	50	FDBA	
COC(=O)c1cc(C(=O)N[C@@H](CC(C)C)C(=O)OC)cc([N+](=O)[O-])c1	1139944	DETMTXRRMFKQMP-ZDUSSCGKSA-N	352.343	1.699	5	50	FDBA	
COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(OC)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1	277992181	FLQJZRYIVULXHL-SKDRFNHKSA-N	363.326	1.324	5	50	FDBA	
O=C(O)CCCn1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cn1	4593712	YSYZTLPYTDFLKA-UHFFFAOYSA-N	366.305	1.813	5	50	FDBA	
O=[N+]([O-])c1ccc(OC[C@H](O)CNC[C@H]2COc3ccccc3O2)cc1	4142731	FCFAYBLAXKAHDB-ZBFHGGJFSA-N	360.366	1.764	5	50	FDBA	
CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)c([N+](=O)[O-])c1	955888	LLJQALYXNBXTRM-CYBMUJFWSA-N	360.330	1.442	5	50	FDBA	
C[C@@H](O)CCN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O	252508455	XNNDFHYVTPQYIQ-SECBINFHSA-N	368.777	1.982	5	50	FDBA	
CC(C)(C)OC(=O)N[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	95495923	XKHQTCSLBRZQAC-SNVBAGLBSA-N	370.318	1.893	5	50	FDBA	biogenic
COC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2729112	LFZKEMVSPVPLGT-SNVBAGLBSA-N	357.344	1.528	5	50	FDBA	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCOCC1	55447459	MUXMOYHTJXZLOH-UHFFFAOYSA-N	368.821	1.229	5	50	FDBA	
C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1	1875372208	ZWZOCBAPJAFOFM-ZIAGYGMSSA-N	361.402	1.379	5	50	FDBA	
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1	225736274	MJLKMHXGHOBVRW-MAUKXSAKSA-N	359.382	1.883	5	50	FDBA	
C[C@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1CCO	187296612	QNEYOTYPXSXZGS-LBPRGKRZSA-N	371.821	1.542	5	50	FDBA	
CC(=O)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1	5069395	SMCYTUBMJCHHBO-CYBMUJFWSA-N	366.393	1.993	5	50	FDBA	
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	4084700	PXOBFOQAVSJAEQ-UHFFFAOYSA-N	356.400	1.867	5	50	FDBA	
O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC1CCS(=O)(=O)CC1	241287441	LLGWDTWILIVFEZ-UHFFFAOYSA-N	362.354	1.357	5	50	FDBA	
Cc1ccc2nc3c(cc(C(N)=S)c(=N)n3Cc3ccco3)c(=O)n2c1	100679297	KMAFBTUXTREYLR-UHFFFAOYSA-N	365.418	1.713	5	50	FDBA	
CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1	2804016	ZAOAVILEVMNSRV-UHFFFAOYSA-N	361.807	1.858	5	50	FDBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCc2ccccc2C1	4808788	QOMJNWILGQQFNM-UHFFFAOYSA-N	365.345	1.776	5	50	FDBA	
Cc1cc(OCC(=O)Nc2cnn(CCCC(=O)O)c2)ccc1[N+](=O)[O-]	1426818	ONHWITUZXYBLSM-UHFFFAOYSA-N	362.342	1.982	5	50	FDBA	
Cc1nn(C[C@@H](C)C(=O)N2N=CC[C@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6921012	VESBHTANAUGEOL-KRTXAFLBSA-N	363.296	1.513	5	50	FDBA	
CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])C1	2325704408	MDVRRHVEFAHWAH-LBPRGKRZSA-N	365.415	1.010	5	50	FDBA	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1n[nH]c2ncnc(O)c12	2325745810	WCVAMQSFFCMVBO-UHFFFAOYSA-N	350.316	1.076	5	50	FDBA	
COC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccccc2)C1	1215170	HYNKFGHJPJVEKZ-SFHVURJKSA-N	369.333	1.815	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1Cc1ccccc1	32074218	BNCOSRFWGSHEII-UHFFFAOYSA-N	370.372	1.867	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCC[C@@H](CO)C2)nc1N1CCC[C@H](CO)C1	225357489	UHCLJKWAFUIBCE-KGLIPLIRSA-N	350.419	1.407	5	50	FDBA	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=N	100627964	WDCHIYWMMFGYKR-UHFFFAOYSA-N	370.409	1.650	5	50	FDBA	
CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1	2795165	DVKJAYJZHJPPKP-LLVKDONJSA-N	364.354	1.797	5	50	FDBA	
O=C1NC[C@H]2[C@H]1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	225616653	LLOOOEJNRZRHFB-PBHICJAKSA-N	372.425	1.936	5	50	FDBA	
COCCc1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	225743999	WETFRNZWSFOYFC-UHFFFAOYSA-N	358.401	1.744	5	50	FDBA	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])c(O)c1	19912920	LSYFOCATSFBMPN-UHFFFAOYSA-N	362.338	1.881	5	50	FDBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3CCOCC3)c2)n1	20602236	BWXRHPZCCJPUFY-UHFFFAOYSA-N	359.386	1.896	5	50	FDBA	
COC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccccc2)C1	1213516	ZRULSLKRNQWGJH-GOSISDBHSA-N	369.333	1.815	5	50	FDBA	
Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	3893886	LYMFMAVNXIVZBS-UHFFFAOYSA-N	363.395	1.523	5	50	FDBA	
C[C@]1(C(=O)O)CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	262113570	FNQDHIBLGZCGCY-HNNXBMFYSA-N	367.383	1.109	5	50	FDBA	
C[C@@H](CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1nnn[nH]1	296160814	YQQOOEHQJDFIFL-VIFPVBQESA-N	356.346	1.374	5	50	FDBA	
O=C1NC[C@@H]2[C@H]1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	225616630	LLOOOEJNRZRHFB-RHSMWYFYSA-N	372.425	1.936	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCCCCC2)c(S(=O)(=O)N2CCOCC2)c1	4333856	TVBMZXHKIAXBHK-UHFFFAOYSA-N	369.443	1.996	5	50	FDBA	
O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c([nH]1)CCOC2	838458774	MMKMKNDLYUYFMW-INIZCTEOSA-N	371.349	1.958	5	50	FDBA	
O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@@]1(CO)C=C[C@H]2O1	101361017	UXJGOYNFVIBXTM-BLTAXRJOSA-N	350.714	1.054	5	50	FDBA	
CCNS(=O)(=O)c1ccc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])cc1	675822	YKPJANXMOSXWFF-UHFFFAOYSA-N	367.387	1.187	5	50	FDBA	
Cc1cccn2c(=O)c3cc(C(N)=S)c(=N)n(C[C@H]4CCCO4)c3nc12	100675148	IRBQARAELIIWEN-LLVKDONJSA-N	369.450	1.250	5	50	FDBA	
CCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21	100627733	GVNICLWLGFSBGH-GFCCVEGCSA-N	367.409	1.057	5	50	FDBA	
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	8974486	RROXMKQYDIDXCF-DYVFJYSZSA-N	358.354	1.204	5	50	FDBA	
CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N	100627568	BJELMXJENZORFN-UHFFFAOYSA-N	374.404	1.322	5	50	FDBA	
O=C1NC[C@H]2[C@@H]1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	225616612	LLOOOEJNRZRHFB-YOEHRIQHSA-N	372.425	1.936	5	50	FDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1	245227808	QLVMXYZTUVQCPF-WQAPVAGSSA-N	367.361	1.586	5	50	FDBA	
CC[C@@H](C(=O)N1N=C(C)C[C@@]1(O)C(F)(F)F)n1nc([N+](=O)[O-])cc1C	6554830	XIOSSPNALAOHAC-JOYOIKCWSA-N	363.296	1.910	5	50	FDBA	
Cn1c(=O)n(C)c2cc(NC(=O)CSc3ccc([N+](=O)[O-])cn3)ccc21	2885385	ITORYZCWHQLQSE-UHFFFAOYSA-N	373.394	1.911	5	50	FDBA	
O=c1/c(=C/c2cccnc2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	4707155	JFSGDCRFSSYQJQ-NVNXTCNLSA-N	367.390	1.097	5	50	FDBA	
CCOCC(=O)NN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	4528566	ILHFXEIFVHJZPM-YRNVUSSQSA-N	351.340	1.699	5	50	FDBA	
Cc1cccn2c(=O)c3cc(C(N)=S)c(=N)n(C[C@@H]4CCCO4)c3nc12	100675143	IRBQARAELIIWEN-NSHDSACASA-N	369.450	1.250	5	50	FDBA	
O=C1C[C@@H]2OC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@@H]5[C@H]2[C@H]3C[C@@H]46	245312291	SWMNDZUNHXZQLU-SEXNRBKUSA-N	365.389	1.958	5	50	FDBA	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)NN=C2C[C@@]1(C)O	195473111	PGLOJNOMLZJZLP-VWPFQQQWSA-N	361.354	1.114	5	50	FDBA	
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-]	951798	FZZPZBPYHYQDSE-GFCCVEGCSA-N	372.337	1.366	5	50	FDBA	
C[C@H](CN(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)c1nnn[nH]1	296160811	YQQOOEHQJDFIFL-SECBINFHSA-N	356.346	1.374	5	50	FDBA	
O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1	1155051	YQQVNOYZLZBLEZ-UHFFFAOYSA-N	350.352	1.617	5	50	FDBA	
COc1ccccc1-n1nnnc1SCCn1c([N+](=O)[O-])cnc1C	1075413	ZWBCUALRIFBFDN-UHFFFAOYSA-N	361.387	1.876	5	50	FDBA	
NCc1nc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n[nH]1	725373494	WDVHWEDTYQBWSL-UHFFFAOYSA-N	374.382	1.639	5	50	FDBA	
O=C(NCc1ccccc1Cl)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	4743370	SDWALIZVNIUWLT-UHFFFAOYSA-N	362.733	1.806	5	50	FDBA	
COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1	1075886	MFHFBHGTQRJSMR-UHFFFAOYSA-N	357.322	1.750	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)nc1N1CCC[C@@H](CO)C1	170090316	UHCLJKWAFUIBCE-UONOGXRCSA-N	350.419	1.407	5	50	FDBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2	4698606	PWXGCBYRIPLBAD-UHFFFAOYSA-N	363.399	1.778	5	50	FDBA	
O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	2556845	JVHRPLXWZFPXIJ-AWEZNQCLSA-N	350.352	1.569	5	50	FDBA	in-vitro
CC(=O)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	5060838	LLKWUPYTWNBYJL-UHFFFAOYSA-N	352.366	1.239	5	50	FDBA	
O=[N+]([O-])c1ccc(OC[C@@H](O)CNC[C@H]2COc3ccccc3O2)cc1	4142728	FCFAYBLAXKAHDB-HOCLYGCPSA-N	360.366	1.764	5	50	FDBA	
CNC(=O)c1ccn([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)n1	225417335	DFJZMAUFMXZJPU-CQSZACIVSA-N	357.370	1.628	5	50	FDBA	
CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc(C)c1C	2306995	MYWCAYNMUURAFL-UHFFFAOYSA-N	353.360	1.680	5	50	FDBA	
CC(=O)c1ccc(NC(=O)COn2nnc3ccc([N+](=O)[O-])cc32)cc1	1120489	GCDWUMLVFKTNKS-UHFFFAOYSA-N	355.310	1.609	5	50	FDBA	
N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1	100088493	ZXXVUGINITWFQC-UHFFFAOYSA-N	359.389	1.470	5	50	FDBA	
CC(C)(C)OC(=O)C[S@@](=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	952010	HMVYESCICYSOEP-QFIPXVFZSA-N	363.413	1.448	5	50	FDBA	
CN(C)c1n[nH]c(C2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)n1	328590022	WHMHOPJROTUBNK-UHFFFAOYSA-N	374.401	1.564	5	50	FDBA	
CCOc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	1159647	RGHVIEKNOWIWMT-LLVKDONJSA-N	351.315	1.500	5	50	FDBA	
COC(=O)C1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1	1181723	HPJRWSAONOHMBE-UHFFFAOYSA-N	352.343	1.637	5	50	FDBA	
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	2068639	XNLQXFZRHBTXNC-UHFFFAOYSA-N	364.270	1.287	5	50	FDBA	
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	4689388	UNXPFBZFALHGCA-UHFFFAOYSA-N	374.445	1.299	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1Cc1ccccn1	30907862	SGPWJQMQYPPMQQ-UHFFFAOYSA-N	371.360	1.262	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1-c1ccccc1	40268003	FKLYGVXWQJQGJE-UHFFFAOYSA-N	356.345	1.808	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NC[C@@H]1CCCO1	1070629	PQUWSLICYVWTPE-BDAKNGLRSA-N	361.196	1.718	5	50	FDBA	
CCN1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC	4859580	AFNPLUMDSLEAPD-GFCCVEGCSA-N	350.419	1.884	5	50	FDBA	in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1O	19799944	FNYUMAFGASWOHR-GFCCVEGCSA-N	351.315	1.500	5	50	FDBA	
C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)O	4843944	HGYAMJBKPQSFID-YWEFTTLKSA-N	373.321	1.548	5	50	FDBA	aggregator
Cn1ncc2c1ncn1nc(-c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)nc21	2800312	YNMUTKYGOOXTRA-UHFFFAOYSA-N	365.313	1.424	5	50	FDBA	
O=c1c2cc3c(=O)n(-n4cnnc4)ccc3nc2ccn1-c1ccccc1	38829246	XIUZSBMNHRONSP-UHFFFAOYSA-N	356.345	1.604	5	50	FDBA	
COc1cccc(NCCS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-]	170598663	QZOZDNHHBXTAEE-VXGBXAGGSA-N	373.431	1.454	5	50	FDBA	
COC(=O)[C@@H](CCSC)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2860018	HCSNOKSOBLCQTI-LLVKDONJSA-N	357.344	1.528	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(CC(F)(F)F)C2CCNCC2)cc1	725374388	KKZHDNFTPQDVGZ-UHFFFAOYSA-N	367.349	1.900	5	50	FDBA	
O=c1onc(-c2nonc2[N+](=O)[O-])n1-c1ccc(F)c(Br)c1	953126713	RHYOUOZNAPENIN-UHFFFAOYSA-N	372.066	1.685	5	50	FDBA	
CC(=O)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])C[C@H]1C	4593439	BZSMDKHFSUYNCK-GFCCVEGCSA-N	366.393	1.628	5	50	FDBA	
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1	4138189	WDVHUQNTAAUELS-UHFFFAOYSA-N	369.447	1.098	5	50	FDBA	
O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	239203165	RVRXKNMUJNHZMO-WRFANHODSA-N	371.393	1.766	5	50	FDBA	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1O	100081299	VCUPCHBJFCBBEK-DMAMZFHHSA-N	357.322	1.046	5	50	FDBA	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=N	100318747	WTAVLCNPXCXFJO-UHFFFAOYSA-N	356.382	1.342	5	50	FDBA	
COc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	1178236	LXHXNUGUTIOOLA-UHFFFAOYSA-N	355.306	1.838	5	50	FDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1	101325418	CTLRFYLARKOCDB-KUDNYVPYSA-N	357.366	1.955	5	50	FDBA	
Cc1cc(C)nc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)n1	5008766	NUQGLBQCFQFVSS-UHFFFAOYSA-N	355.398	1.893	5	50	FDBA	
Cc1[nH]c(=NC[C@@H]2CCN(C(=O)[C@H]3CCC[C@@H](O)C3)C2)ccc1[N+](=O)[O-]	2325841280	MMAJPYCIQJYXLS-SOUVJXGZSA-N	362.430	1.532	5	50	FDBA	
C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	249700846	YBXFQURQYLDMHO-KCPJHIHWSA-N	358.350	1.978	5	50	FDBA	
CC(C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC1=O	225528716	DVXXYNSXPASYFF-MRXNPFEDSA-N	359.386	1.734	5	50	FDBA	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=N	100662712	OBFHPBIJTVTQFY-UHFFFAOYSA-N	363.377	1.438	5	50	FDBA	
c1cc2nc3ccc(=[N+]4CCNCC4)cc-3sc2cc1N1CCNCC1	25758198	RGBSIUWULADADC-UHFFFAOYSA-N	366.514	1.186	5	50	FDBA	
Cc1nc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)sc1C(=O)N(C)C	2778475	RGMAOJWURIQFNY-UHFFFAOYSA-N	352.376	1.356	5	50	FDBA	
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	4036617	HLXQNFFNSYYJGI-CQSZACIVSA-N	372.381	1.547	5	50	FDBA	
O=C(C1CC1)[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1	170618656	PJNIJZVINGRFBR-MRXNPFEDSA-N	361.398	1.993	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1-c1ccncc1	40288453	FOEMAJKNMIGDCL-UHFFFAOYSA-N	357.333	1.203	5	50	FDBA	
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1O	35900079	FFYHNMNKZRAJPY-UHFFFAOYSA-N	355.306	1.925	5	50	FDBA	
CCN1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1	4168668	ZBWFRRJCLQQMPG-UHFFFAOYSA-N	351.426	1.628	5	50	FDBA	
CCn1cc(Cn2cc(NC(=O)CCn3ncc([N+](=O)[O-])c3C)cn2)cn1	2805099	YQYQCRCFMLEURH-UHFFFAOYSA-N	372.389	1.590	5	50	FDBA	
O=C(NCCc1ccc(F)cc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	6668069	HPNYRKPBIOLDOB-UHFFFAOYSA-N	360.305	1.334	5	50	FDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](C(=O)O)[C@@H](O)c1ccccc1	5009997	HGCKJFOQVURIHX-HOTGVXAUSA-N	360.322	1.277	5	50	FDBA	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(-n3cccn3)n2)c1	1875337568	YJRMXHJUKRVSOM-UHFFFAOYSA-N	373.394	1.795	5	50	FDBA	
C=CC(=O)N1CCC[C@@H](C(=O)N2CCC(n3cc([N+](=O)[O-])cn3)CC2)C1	1875371048	MXVPHRBTZKMWSQ-CYBMUJFWSA-N	361.402	1.379	5	50	FDBA	
C=CC(=O)N1CCC[C@H](C(=O)N2CCC(n3cc([N+](=O)[O-])cn3)CC2)C1	1875371049	MXVPHRBTZKMWSQ-ZDUSSCGKSA-N	361.402	1.379	5	50	FDBA	
O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	5773910	YXHATIWTAIZUER-GFCCVEGCSA-N	350.352	1.569	5	50	FDBA	
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1[N+](=O)[O-]	5047503	BPKDHQGVUYFRSZ-UHFFFAOYSA-N	361.335	1.588	5	50	FDBA	
O=C1NC(=S)N(C(=O)c2ccc([N+](=O)[O-])cc2)/C1=C/c1cccnc1	824681	XDTSPFRZKDKLRN-MDWZMJQESA-N	354.347	1.888	5	50	FDBA	
CCOC(=O)C(=CNc1cccc([N+](=O)[O-])c1[N+](=O)[O-])C(=O)OCC	104067490	WGOPXPVJPDYVCC-UHFFFAOYSA-N	353.287	1.925	5	50	FDBA	
Nn1c(=O)c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c1=O)c2c34	2877874	XTTUPGVAFGAPRK-UHFFFAOYSA-N	354.325	1.419	5	50	FDBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)n1	2785166	PAGJAWSEXSBXRY-UHFFFAOYSA-N	359.321	1.842	5	50	FDBA	
O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	2779908	LJFZIPJCJSJAII-UHFFFAOYSA-N	356.334	1.680	5	50	FDBA	
CCOC(=O)CNc1c(I)cncc1[N+](=O)[O-]	66054427	UOAFTSDJJUMCJS-UHFFFAOYSA-N	351.100	1.569	5	50	FDBA	in-vitro
O=[N+]([O-])c1cc(-n2cnnn2)ccc1Sc1nnnn1-c1ccccc1	2940981	NEYZPUSOACPWMQ-UHFFFAOYSA-N	367.354	1.697	5	50	FDBA	
NS(=O)(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1	5093358	AZFLHOQVBKGZCX-UHFFFAOYSA-N	351.340	1.260	5	50	FDBA	
O=C(NC[C@H](O)COc1ccc([N+](=O)[O-])cc1)c1cnc2cnccc2c1	1875252020	BTIDZLMWEQKXDI-HNNXBMFYSA-N	368.349	1.708	5	50	FDBA	
O=C(C1CC1)[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1	170618655	PJNIJZVINGRFBR-INIZCTEOSA-N	361.398	1.993	5	50	FDBA	
Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(NCCc3ccccc3)cc21	4857394	GETSMXCSBZKTOU-UHFFFAOYSA-N	354.366	1.800	5	50	FDBA	
CN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N=C1O	229994120	AFJFSADHJJZPFO-KSSFIOAISA-N	372.381	1.799	5	50	FDBA	
CC(C)[C@@H](Nc1nc(N2CCC[C@H]2C(=O)O)ccc1[N+](=O)[O-])C(=O)O	4106679	SWXCOMQBIUDZKM-CMPLNLGQSA-N	352.347	1.564	5	50	FDBA	
CC(=O)NC1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1	170606586	ZEACPNSXNJJPOZ-UHFFFAOYSA-N	362.430	1.532	5	50	FDBA	
O=c1/c(=C/c2cccnc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	1183582	JBXPISSHRITNEQ-CHHVJCJISA-N	367.390	1.097	5	50	FDBA	
CCCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21	100627777	GTLSICMMQIZKLZ-UHFFFAOYSA-N	369.425	1.305	5	50	FDBA	
O=C(O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	15857117	RAGGWTPFKOIIQF-TXEJJXNPSA-N	359.338	1.656	5	50	FDBA	
COc1cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])cc1F	184256713	RNYYIHKZSKTAQE-LBPRGKRZSA-N	358.391	1.894	5	50	FDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(C(N)=O)CC1	1175875	ZOSZVHVALZVELM-UHFFFAOYSA-N	350.375	1.129	5	50	FDBA	
Cc1cc(=O)n(C)c(=O)n1[C@@H](C)C[N+](C)(C)Cc1cccc([N+](=O)[O-])c1	4528472	VUIKNPRNNZWUAB-AWEZNQCLSA-N	361.422	1.601	5	50	FDBA	
CNC(=O)c1ccc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)nn1	266804860	DFUAPQQVHCKGHI-UHFFFAOYSA-N	357.370	1.792	5	50	FDBA	
O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]2[C@H]1[C@H]1C=C[C@H]2C12CC2	245238602	VXATYHIRCKFCEU-MHWZDGSBSA-N	370.321	1.709	5	50	FDBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(N)=O)cc1	4980319	CKLKLIYZJXPAQO-UHFFFAOYSA-N	365.367	1.568	5	50	FDBA	
Cc1[nH]nc(C(=O)O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1[N+](=O)[O-]	170594516	VFQVOAZEARUWCR-VIFPVBQESA-N	373.325	1.157	5	50	FDBA	
CNS(=O)(=O)c1ccc(N(CCO)[C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1	252478426	AMCXBAMNCXEFHM-AAEUAGOBSA-N	357.432	1.490	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCC[C@H](CO)C2)nc1N1CCC[C@H](CO)C1	170090313	UHCLJKWAFUIBCE-KBPBESRZSA-N	350.419	1.407	5	50	FDBA	
COC(=O)C(C(=O)OC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	3883821	JKMZBBUTIMVZME-UHFFFAOYSA-N	366.204	1.951	5	50	FDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccncc2)CC1	19842611	BZFPOLKLOFDEFH-UHFFFAOYSA-N	362.411	1.496	5	50	FDBA	
CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]1C	4623437	OSOONMHOPFPCEF-JTQLQIEISA-N	360.370	1.403	5	50	FDBA	
C[C@H]1CN(c2nc(N3CCC[C@@H](C)C3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	239287430	CTWAXLQFRBYOMA-WOPDTQHZSA-N	350.423	1.817	5	50	FDBA	
N[C@@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	225361964	AELLKHDLLUSLOA-KCJUWKMLSA-N	353.322	1.638	5	50	FDBA	
CCOc1ccc([C@@H](C[N+](=O)[O-])C(C(=O)OC)C(=O)OC)cc1OCC	2191460	XTQPRZPRVLBFLQ-GFCCVEGCSA-N	369.370	1.807	5	50	FDBA	
NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	9510191	XVIVIDNZHKQOCG-UHFFFAOYSA-N	357.369	1.043	5	50	FDBA	
O=[N+]([O-])c1cc(-c2nc(-c3cccc(CN4CCOCC4)c3)no2)[nH]n1	417258280	WJYKEUONXNTNOZ-UHFFFAOYSA-N	356.342	1.867	5	50	FDBA	
O=C(O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	4755108	RAGGWTPFKOIIQF-VXGBXAGGSA-N	359.338	1.656	5	50	FDBA	
COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(F)(F)[C@H](CO)C1	291363109	POKODYHAVFCGKG-NSHDSACASA-N	359.329	1.763	5	50	FDBA	
O=C1CC[C@H](NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1	1857797844	AFEZZXHOTHCTAN-AWEZNQCLSA-N	350.330	1.481	5	50	FDBA	
COC(=O)c1ccc(OC)c(OCCCN2CCOCC2)c1[N+](=O)[O-]	163655883	SAGUKJOPHPTQKT-UHFFFAOYSA-N	354.359	1.491	5	50	FDBA	
O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]2[C@@H]1[C@H]1C=C[C@H]2C12CC2	245238601	VXATYHIRCKFCEU-JYILRKAJSA-N	370.321	1.709	5	50	FDBA	
CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCn2ncc(C(N)=O)c2C1	275428788	FEXPDQRLVQXXQZ-LBPRGKRZSA-N	373.413	1.641	5	50	FDBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	1429875	QNDROVVEPPUVOD-UHFFFAOYSA-N	370.369	1.536	5	50	FDBA	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(-c2nc(-c3nonc3N)no2)cc1	3672558	YQKVTVFQWNXPNK-UHFFFAOYSA-N	368.313	1.830	5	50	FDBA	
CCOC(=O)C1=C(Cn2cncn2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	12412656	SWJJHZXKSIXIKD-CQSZACIVSA-N	372.341	1.058	5	50	FDBA	
CS(=O)(=O)N(CC(=O)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1	101894778	GCUXEOGDEIHEEP-HUBLWGQQSA-N	367.427	1.666	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccnc3)CC2)cc1	19339230	WCVMVLHBSKGXOF-UHFFFAOYSA-N	362.411	1.496	5	50	FDBA	
CC(C)(C)OC(=O)[C@@H](N)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	725372873	ARJFWDWDOSLWNH-NSHDSACASA-N	373.431	1.322	5	50	FDBA	
CNS(=O)(=O)c1ccc(N(CCO)[C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1	252478429	AMCXBAMNCXEFHM-YPMHNXCESA-N	357.432	1.490	5	50	FDBA	
CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])C1	2325704407	MDVRRHVEFAHWAH-GFCCVEGCSA-N	365.415	1.010	5	50	FDBA	
CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	245256605	RUCPNNWCOQOMKP-LSDHHAIUSA-N	361.446	1.807	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)c2ccccc2C1=O	5061109	SLTHBBMZHMPYCC-UHFFFAOYSA-N	355.306	1.838	5	50	FDBA	
CC(=O)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1	5069394	SMCYTUBMJCHHBO-ZDUSSCGKSA-N	366.393	1.993	5	50	FDBA	
O=C1NC(=O)C(CCc2ccncc2)(Cc2ccc([N+](=O)[O-])cc2)C(=O)N1	1088836	ORQDUQWOIYMWPZ-UHFFFAOYSA-N	368.349	1.518	5	50	FDBA	
C=CC(=O)N1CCC[C@H](C(=O)N2CCOc3cc([N+](=O)[O-])ccc3C2)C1	2325888269	BFURFTQZTQTZQV-AWEZNQCLSA-N	359.382	1.740	5	50	FDBA	
O=[N+]([O-])c1cnc2ccc(NC[C@@]3(CO)C[C@@H]3c3ccc(F)cc3)nn12	428652336	OBDUEMUKXIWKNB-CXAGYDPISA-N	357.345	2.355	5	50	FDBA	
CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)NC1=S	230028462	WDROLQJGZOXBSS-SUMWQHHRSA-N	374.422	1.369	5	50	FDBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	101054790	NGCADDLCEFIJRL-DPDCMNJDSA-N	355.350	1.649	5	50	FDBA	
CCOC(=O)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O	12730055	NNPVNSCMBITYJA-UXBLZVDNSA-N	352.324	1.900	5	50	FDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	101325785	MQBXZXGVNYMYDP-KUDNYVPYSA-N	355.350	1.731	5	50	FDBA	
CN1C(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2C1=O	1107831	JSHRZCRELULVFF-UHFFFAOYSA-N	351.274	1.621	5	50	FDBA	
COC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(c2ccccc2)C1	1213175	ZRULSLKRNQWGJH-SFHVURJKSA-N	369.333	1.815	5	50	FDBA	
NC(=O)c1ccc(-n2nnnc2SCc2cccc([N+](=O)[O-])c2)cc1	1857202	WYSZUAVHBSPQHE-UHFFFAOYSA-N	356.367	1.962	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ncccn3n2)c(Cl)c1	225550336	NPZGCANLJNRMFQ-UHFFFAOYSA-N	354.735	1.487	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	6641548	BRSZBRGYKZNHFM-JTQLQIEISA-N	357.388	1.214	5	50	FDBA	
CCN(CC)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	4247832	OWBYANOULFPBNM-UHFFFAOYSA-N	370.431	1.363	5	50	FDBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1	4685367	LVBBTXPTHOEPEO-UHFFFAOYSA-N	354.432	1.277	5	50	FDBA	
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(NC(C)=O)C(=O)OCC	1665482	WNUVFEVPHDQZBA-UHFFFAOYSA-N	352.343	1.138	5	50	FDBA	
Cn1c(=O)c2nc3ccc(NC(=O)c4ccccc4)cc3nc2n(C)c1=O	3771389	GXEDSSWFTZAWHG-UHFFFAOYSA-N	361.361	1.433	5	50	FDBA	biogenic
COc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])nc1Br	1433042	ZVUROPISFMRNCG-UHFFFAOYSA-N	356.136	1.596	5	50	FDBA	
Cc1[nH]c(=NC[C@@H]2CCN(C(=O)[C@H]3CCC[C@H](O)C3)C2)ccc1[N+](=O)[O-]	2325841278	MMAJPYCIQJYXLS-KKUMJFAQSA-N	362.430	1.532	5	50	FDBA	
C=CC(=O)N1CCC(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CC1	2325884037	LYFANHRCEQIRSW-UHFFFAOYSA-N	359.382	1.740	5	50	FDBA	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(C)[C@H]1CCS(=O)(=O)C1	251925133	CARPHKDXSCYZGD-WFASDCNBSA-N	369.443	1.233	5	50	FDBA	
O=C(CSc1nnnn1-c1ccccc1)Nc1ncc([N+](=O)[O-])s1	9425452	ZCSBSKCNBYSLEH-UHFFFAOYSA-N	363.384	1.758	5	50	FDBA	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc([N+](=O)[O-])c1O	19799943	FNYUMAFGASWOHR-LBPRGKRZSA-N	351.315	1.500	5	50	FDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1O	101054773	VCUPCHBJFCBBEK-PVFTVIPPSA-N	357.322	1.046	5	50	FDBA	
CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)(NC(C)=O)C(=O)OCC	1595850	DVHDKDFOJBEZEA-UHFFFAOYSA-N	352.343	1.138	5	50	FDBA	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2C(=O)NN=C2C[C@@]1(C)O	101890289	PGLOJNOMLZJZLP-XJIUQZFPSA-N	361.354	1.114	5	50	FDBA	
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)[C@]2(O)[C@H]1C(=O)Nc2ccccc21	101015894	PPOWNERZLJQTJI-RDTXWAMCSA-N	353.334	1.803	5	50	FDBA	
C[C@@H]1C[C@@H](S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1	295237513	ULYFXIQWIYNAJS-CJNGLKHVSA-N	369.443	1.614	5	50	FDBA	
CN1C[C@@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCC1=O	821810787	UOQHIHCJVIGHBR-VIFPVBQESA-N	353.306	1.084	5	50	FDBA	
CCOc1ccc(C(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1[N+](=O)[O-]	262884555	HJPZFBPAAZRWFT-CYBMUJFWSA-N	366.370	1.851	5	50	FDBA	
O=C([C@@H]1CC12CCS(=O)(=O)CC2)N1CCc2ccc([N+](=O)[O-])cc2C1	408020275	DGMWZJODNHRDJZ-HNNXBMFYSA-N	364.423	1.694	5	50	FDBA	
O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)c1	13155023	JTFGYCMAUFZSPZ-UHFFFAOYSA-N	367.339	1.740	5	50	FDBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1	254378107	BZWTZGOVCSUDMR-CBBWQLFWSA-N	368.349	1.007	5	50	FDBA	
NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1	1133353	SDKBBKUJZZQLSB-JXMROGBWSA-N	361.379	1.572	5	50	FDBA	
COc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	4151101	ZSBQIGLSDNODLJ-UHFFFAOYSA-N	368.327	1.817	5	50	FDBA	
N[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F	170684709	KVTAWROXUUWGFT-AWEZNQCLSA-N	357.338	1.851	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NC[C@H]1CCCO1	1070626	PQUWSLICYVWTPE-RKDXNWHRSA-N	361.196	1.718	5	50	FDBA	
CC(C)[C@@H]1N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]12C[C@@H](N)[C@H](O)C2	725373490	WDBVMLVFSJWPFK-OYNZBZHQSA-N	369.443	1.092	5	50	FDBA	
Cn1c(=O)c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n2C)n(C)c1=O	12427984	QTVOKLWSHCCXDW-UHFFFAOYSA-N	361.383	1.171	5	50	FDBA	
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1O	4832194	VAMVYBHBKNQEPE-UHFFFAOYSA-N	355.306	1.925	5	50	FDBA	
Cc1nn(C)c(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c1[N+](=O)[O-]	1015941	HXZXHYIABOHGSB-NSHDSACASA-N	353.232	1.057	5	50	FDBA	
O=C(N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	1208366	QAIHMGGRVMYJOR-ZWKOTPCHSA-N	367.361	1.967	5	50	FDBA	
COc1nn([C@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	5950533	MHLDSXWEAMJATC-RDDDGLTNSA-N	365.268	1.220	5	50	FDBA	
NS(=O)(=O)c1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1	6296225	MRAGTCRBHNTKNN-UHFFFAOYSA-N	368.396	1.368	5	50	FDBA	
CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1	2795164	DVKJAYJZHJPPKP-NSHDSACASA-N	364.354	1.797	5	50	FDBA	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	36144753	HNDVCKWGZHHLID-GFCCVEGCSA-N	351.315	1.500	5	50	FDBA	
CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1=O	299249513	OHAJEDSACQAKLA-RFAUZJTJSA-N	366.399	1.827	5	50	FDBA	
C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N1CCCCC1=O	170619808	MQOLTVAIQBLLNK-SNVBAGLBSA-N	359.379	1.413	5	50	FDBA	
O=C(CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCOCC1	54959729	WXQAWAJLXUBKQO-UHFFFAOYSA-N	368.821	1.229	5	50	FDBA	
O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cnc(O)c([N+](=O)[O-])c1	170600203	XHCRJFVNSKZHFT-UHFFFAOYSA-N	371.353	1.125	5	50	FDBA	
COc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Br	13574909	POTVOLOHYPSKQW-DUXPYHPUSA-N	368.143	1.913	5	50	FDBA	
O=C(NC1CC1)N[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1	170595352	CTMVUXJVIXQDFB-AWEZNQCLSA-N	362.386	1.497	5	50	FDBA	
CNS(=O)(=O)c1ccc(N(CCO)[C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1	252478428	AMCXBAMNCXEFHM-WCQYABFASA-N	357.432	1.490	5	50	FDBA	
CC(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C	1893977	QYXQLPBPXAAUQC-ZDUSSCGKSA-N	357.432	1.812	5	50	FDBA	
CN1C(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2C1=O	1004647	OOJVPFATSJGZQU-UHFFFAOYSA-N	355.306	1.838	5	50	FDBA	
Cc1n[nH]c(O)c1[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(O)n[nH]c1C	4113134	HMPPRQKGKAGMBT-UHFFFAOYSA-N	373.325	1.978	5	50	FDBA	
Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1C	225468223	KKYGSUUMTFSIKU-SECBINFHSA-N	362.321	1.162	5	50	FDBA	
Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	1135410	HWXGAINLWSCGIC-UHFFFAOYSA-N	363.395	1.523	5	50	FDBA	
O=c1/c(=C/c2ccco2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	4117417	DIMSRDRJOTWQEG-ZSOIEALJSA-N	356.363	1.295	5	50	FDBA	
O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4052488	XWNITNJXNUOIMR-JKSUJKDBSA-N	359.382	1.910	5	50	FDBA	
CC(C)(C(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F)n1cc([N+](=O)[O-])cn1	6385813	NIDNUABKXVJIKU-GFCCVEGCSA-N	367.259	1.334	5	50	FDBA	
CC(=O)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N[C@@]1(O)C(F)(F)F	226354832	NOUGBGSAULFXJN-FOGDFJRCSA-N	363.248	1.110	5	50	FDBA	
O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-]	5773856	YXHATIWTAIZUER-LBPRGKRZSA-N	350.352	1.569	5	50	FDBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1	4158827	MBCRLAVXEZEYAB-UHFFFAOYSA-N	355.416	1.606	5	50	FDBA	
CC[C@]1(C)NC(=O)N(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1=O	299249509	OHAJEDSACQAKLA-PSLIRLAXSA-N	366.399	1.827	5	50	FDBA	
Cn1c(/C=C/c2ccc(Br)cc2)c([N+](=O)[O-])c(=O)n(C)c1=O	4725675	AXMIZDJVWITSNC-VMPITWQZSA-N	366.171	1.925	5	50	FDBA	
O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN2CCC[C@@H]2C1	2767079	CESKAOKMUSAHOK-MRXNPFEDSA-N	355.398	1.760	5	50	FDBA	
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	240333661	FEQVHZPSRJOHJH-HZSPNIEDSA-N	353.325	1.950	5	50	FDBA	
CCN1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	229830384	FDRQYFWLVXZCSM-GUYCJALGSA-N	374.353	1.281	5	50	FDBA	
O=C1NC[C@@H]2[C@@H]1CCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1	225616587	LLOOOEJNRZRHFB-WMLDXEAASA-N	372.425	1.936	5	50	FDBA	
CC(C)[C@@H]1N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@]12C[C@@H](N)[C@H](O)C2	725373492	WDBVMLVFSJWPFK-XABYNWHXSA-N	369.443	1.092	5	50	FDBA	
O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1	2968846	OLDGKIYXDLEKNW-UHFFFAOYSA-N	374.378	1.063	5	50	FDBA	
COc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)Cc2cccs2)CC1	1875271927	SZDRXGPJXARDII-UHFFFAOYSA-N	362.411	1.951	5	50	FDBA	
CCOC(=O)C1=C(Cn2cncn2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	12412657	SWJJHZXKSIXIKD-AWEZNQCLSA-N	372.341	1.058	5	50	FDBA	
Cn1ncc([N+](=O)[O-])c1NS(=O)(=O)c1ccc(OCC(F)F)cc1	170597344	IZIVHJMLEATFPJ-UHFFFAOYSA-N	362.314	1.773	5	50	FDBA	
CCOC(=O)C(C(=O)OCC)n1c(=O)sc2cc([N+](=O)[O-])ccc21	5324938	GBKAVAWYRRQMSJ-UHFFFAOYSA-N	354.340	1.639	5	50	FDBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCc2ccccc2)n1	4742737	GTRHSIROLIVSOW-UHFFFAOYSA-N	356.342	1.504	5	50	FDBA	
CC(C)C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O	754127	KLFIEJXZFBVZRT-JTQLQIEISA-N	358.192	1.987	5	50	FDBA	
COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)cc1[N+](=O)[O-]	9972445	GXXDTRSURHZDCI-VIFPVBQESA-N	364.401	1.088	5	50	FDBA	
COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	36229325	PGWFUBSWGAQANV-GFCCVEGCSA-N	351.315	1.452	5	50	FDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1	245227807	QLVMXYZTUVQCPF-PQTQVYOHSA-N	367.361	1.586	5	50	FDBA	
CCOc1c(O)ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1[N+](=O)[O-]	1136735	JHMDXHRZHCUNQQ-LBPRGKRZSA-N	365.342	1.842	5	50	FDBA	
COc1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	1178090	JHUVOANFDNADIG-UHFFFAOYSA-N	355.306	1.838	5	50	FDBA	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	4844866	FOIYODPCFBWVDS-UHFFFAOYSA-N	356.448	1.377	5	50	FDBA	
Cc1[nH]c(=NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H](O)C3)C2)ccc1[N+](=O)[O-]	2325841279	MMAJPYCIQJYXLS-RRFJBIMHSA-N	362.430	1.532	5	50	FDBA	
CCN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]1C	4623438	OSOONMHOPFPCEF-SNVBAGLBSA-N	360.370	1.403	5	50	FDBA	
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	940020	DDSCVQOFIYLIRF-GFCCVEGCSA-N	372.337	1.366	5	50	FDBA	
COc1ccccc1[C@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	170684725	ARQJOJCGZCEAIP-CQSZACIVSA-N	351.384	1.582	5	50	FDBA	
C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	253666860	PLGBHVNNYDZWGZ-NRHXLYOYSA-N	351.399	1.205	5	50	FDBA	biogenic,in-vitro
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O	1111015	MZFUIIKKXZYPFS-UHFFFAOYSA-N	371.415	1.382	5	50	FDBA	
O=C(c1n[nH]c2c1CCC2)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	409413256	HKNWKUFIVYACQN-WDEREUQCSA-N	369.381	1.228	5	50	FDBA	biogenic
CC(=O)NCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl	225391639	XEUWCKMQSFVMKC-UHFFFAOYSA-N	356.187	1.316	5	50	FDBA	
O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc2c(c1)OCO2	8582215	YKWZVHIDWRCNJZ-OAHLLOKOSA-N	369.289	1.889	5	50	FDBA	in-vitro
O=c1nc([C@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH][nH]1	253431540	WFTKSADWUXCBNH-GFCCVEGCSA-N	371.357	1.783	5	50	FDBA	
NC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	43379915	FXCNNLGCNUONLQ-UHFFFAOYSA-N	358.222	1.722	5	50	FDBA	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1c(F)cc(F)cc1Br	1198570	OKQZRZGKXGFQCS-UHFFFAOYSA-N	362.090	1.866	5	50	FDBA	
O=C(Nc1cc(F)cc(F)c1)[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	240333663	FEQVHZPSRJOHJH-MELADBBJSA-N	353.325	1.950	5	50	FDBA	
O=C1c2ccccc2C(=O)N1OC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	1147608	RCDQULMMWFROOD-LBPRGKRZSA-N	358.306	1.562	5	50	FDBA	
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCN(c2ccco2)CC1	4808801	GBUGBYUFFDLDLN-UHFFFAOYSA-N	356.342	1.334	5	50	FDBA	
O=C(O)CN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	1208237	CIMHDBDMKDNVCC-UHFFFAOYSA-N	354.274	1.506	5	50	FDBA	
O=C1NC(=O)[C@H]2[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NN2Cc1ccccc1	100572033	RFUQXKAMMYOFQW-GDBMZVCRSA-N	350.334	1.456	5	50	FDBA	
COC(=O)COc1cc([N+](=O)[O-])c(C(OC(C)=O)OC(C)=O)cc1OC	1857533547	OWIBWUZVWPYQAE-UHFFFAOYSA-N	371.298	1.280	5	50	FDBA	
O=C(O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NS(=O)(=O)c1ccccc1	35287481	FFTGZNSFCAEWNX-LBPRGKRZSA-N	366.351	1.275	5	50	FDBA	in-vitro
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1	36042408	LDLRZDOGUJMHHZ-CYBMUJFWSA-N	365.342	1.890	5	50	FDBA	
NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	1662831	OADUVQZRHQQHBD-UHFFFAOYSA-N	366.311	1.403	5	50	FDBA	
O=[N+]([O-])c1cc2c(cc1Nc1cnn([C@H]3CCS(=O)(=O)C3)c1)OCC2	2325829683	PRDDROKSPJIALN-LBPRGKRZSA-N	364.383	1.829	5	50	FDBA	
Nn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	939037	BSCBSQRRNHVAHH-UHFFFAOYSA-N	356.363	1.994	5	50	FDBA	
Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21	4756674	XBVDZNROKFMWLL-UHFFFAOYSA-N	362.367	1.586	5	50	FDBA	
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C(=O)Nc2ccccc2[S@]1=O	5739294	BJDABJDWAIZPSY-RXBISOJRSA-N	373.346	1.231	5	50	FDBA	
O=C(CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1ccco1	408516564	GIEHRETXQOJBQD-UHFFFAOYSA-N	353.281	1.441	5	50	FDBA	
O=C(C[C@H](C(=O)O)n1cnc([N+](=O)[O-])n1)c1ccc(Br)cc1	818197	FIPWHTAFOMNGGL-SECBINFHSA-N	369.131	1.848	5	50	FDBA	
N[C@@H]1CC[C@H](C(F)(F)F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	170615019	AELLKHDLLUSLOA-LDYMZIIASA-N	353.322	1.638	5	50	FDBA	
CC(C)[C@](C)(NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O	290023963	WAXKFGMNFINMGD-ZDUSSCGKSA-N	358.192	1.987	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NC[C@@H]1CCCO1	1070628	PQUWSLICYVWTPE-IUCAKERBSA-N	361.196	1.718	5	50	FDBA	
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cccc([N+](=O)[O-])c1	101325789	MQBXZXGVNYMYDP-GREKMHCPSA-N	355.350	1.731	5	50	FDBA	
CN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(C)CC3)c2Cl)CC1	4183678	CJOVTHJMUNPOJT-UHFFFAOYSA-N	353.854	1.752	5	50	FDBA	
Cc1ccc(C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1[N+](=O)[O-]	1842431	XCVOWFODQVAMBY-UHFFFAOYSA-N	370.361	1.988	5	50	FDBA	
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)NN=C2C[C@]1(C)O	245296083	KONHVAPSKTWBQT-FHIRATQRSA-N	361.354	1.114	5	50	FDBA	
O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc2c(c1)OCO2	8830790	YKWZVHIDWRCNJZ-HNNXBMFYSA-N	369.289	1.889	5	50	FDBA	in-vitro
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O	1049426	IBSDWQWILQKONS-UHFFFAOYSA-N	371.415	1.428	5	50	FDBA	
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	1182661	UXTYHDNQMFWOPT-UHFFFAOYSA-N	363.395	1.144	5	50	FDBA	
COCc1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1	2484438	DHLZHROBEUDGOG-UHFFFAOYSA-N	352.328	1.632	5	50	FDBA	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	1060039	LMFRIRMAEBKYDN-DZGCQCFKSA-N	361.354	1.945	5	50	FDBA	
O=C(CCS(=O)(=O)Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1	4740546	ZRGWZLULKVTFGU-UHFFFAOYSA-N	355.397	1.995	5	50	FDBA	
C[C@H](C(=O)NCc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1137938	UDAAERQPADGNCH-LLVKDONJSA-N	353.334	1.896	5	50	FDBA	
CC(C)(C)OC(=O)N[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	15722147	XKHQTCSLBRZQAC-JTQLQIEISA-N	370.318	1.893	5	50	FDBA	biogenic,in-vitro
COC(=O)C1=NN(C(=O)c2ccccc2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1	854837	KFCSXTUVLWSKMA-SFHVURJKSA-N	369.333	1.815	5	50	FDBA	
N[C@H]1CC[C@@H](C(F)(F)F)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	225361999	AELLKHDLLUSLOA-KWQFWETISA-N	353.322	1.638	5	50	FDBA	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Cl)cn1	1066159	GABZJYHETPIZDU-UHFFFAOYSA-N	360.713	1.878	5	50	FDBA	
CC[C@]1(C)NC(=O)N(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1=O	299249516	OHAJEDSACQAKLA-VFZGTOFNSA-N	366.399	1.827	5	50	FDBA	
O=c1nc(N2CCNCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12	2325899513	IPOHTPPEODPYKG-UHFFFAOYSA-N	360.317	1.993	5	50	FDBA	
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-]	951797	FZZPZBPYHYQDSE-LBPRGKRZSA-N	372.337	1.366	5	50	FDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1	5010000	HGCKJFOQVURIHX-CVEARBPZSA-N	360.322	1.277	5	50	FDBA	
Cc1nn(CCNC(=O)c2nn3cccnc3c2Cl)c(C)c1[N+](=O)[O-]	2793431	FRIFKMNAAAHIGR-UHFFFAOYSA-N	363.765	1.534	5	50	FDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1cccc([N+](=O)[O-])c1	245227791	QKOGNDPRIJAJBD-OMDWYFEUSA-N	367.361	1.586	5	50	FDBA	
O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4052484	XWNITNJXNUOIMR-CVEARBPZSA-N	359.382	1.910	5	50	FDBA	
Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)Nc1ccccc1	3624448	KWLMLAJKLRLFCE-UHFFFAOYSA-N	374.386	1.094	5	50	FDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	245227794	QKOGNDPRIJAJBD-WQAPVAGSSA-N	367.361	1.586	5	50	FDBA	
COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(Br)cc1	2884499	IJEYULCFWNFLCB-JTQLQIEISA-N	360.160	1.772	5	50	FDBA	
COCCCn1ccc2nc3ccn(-c4nc(C)n[nH]4)c(=O)c3cc2c1=O	36125558	ZJTFVLGYJGIFCK-UHFFFAOYSA-N	366.381	1.164	5	50	FDBA	
O=C(COc1ccccc1[N+](=O)[O-])N1N=C(C(F)F)C[C@]1(O)C(F)F	653170	BBPYZHSQEMDTBG-ZDUSSCGKSA-N	365.239	1.781	5	50	FDBA	
CN1CCC(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)CC1	2805241	QALAXHYWOBWCBN-UHFFFAOYSA-N	359.386	1.652	5	50	FDBA	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2cccc(F)c2F)CC1	20608364	YZXPFJNOFADEOG-UHFFFAOYSA-N	351.313	1.554	5	50	FDBA	
Cc1nn(C[C@H](C)C(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6921016	VESBHTANAUGEOL-JVXZTZIISA-N	363.296	1.513	5	50	FDBA	
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	229904059	NECZUMLEHFZZAC-KBXCAEBGSA-N	372.381	1.593	5	50	FDBA	
Cc1cc2c(=O)n(NC(=O)c3nn(C)c(C)c3[N+](=O)[O-])c(C)nc2s1	2777912	LBRUTFLOFWOJFA-UHFFFAOYSA-N	362.371	1.409	5	50	FDBA	
O=C(NC[C@@H](O)COc1ccc(F)cc1)c1ccc(O)cc1[N+](=O)[O-]	170595811	NJVGEPZANVCTLZ-GFCCVEGCSA-N	350.302	1.609	5	50	FDBA	
C[C@@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O	5092528	DBCBYQRTPCDLER-QQMDNXKGSA-N	373.321	1.548	5	50	FDBA	
O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl	222255500	UXJGOYNFVIBXTM-YXMPFFBPSA-N	350.714	1.054	5	50	FDBA	
Cn1cc(C(=O)NCC2CCN(c3ncc([N+](=O)[O-])s3)CC2)cn1	170606590	NIJXGPXAPBVKNS-UHFFFAOYSA-N	350.404	1.431	5	50	FDBA	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	844408	RIVDJBDQNBRMOQ-UKRRQHHQSA-N	361.354	1.945	5	50	FDBA	biogenic
COCCn1ccc2ncc3c(=O)n(Cc4ccccn4)ccc3c2c1=O	71385495	GBGITYZMLSRZMT-UHFFFAOYSA-N	362.389	1.801	5	50	FDBA	
Cc1c([N+](=O)[O-])cnn1CCC(=O)NCc1c(Br)cnn1C	2802184	KHXKMNAPLJKHFF-UHFFFAOYSA-N	371.195	1.302	5	50	FDBA	
O=C(O)COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1122314	VVDWGKQKILKMFP-UHFFFAOYSA-N	352.324	1.859	5	50	FDBA	
CCOC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1	9234853	BYUNSBUDFDGNDR-VMPITWQZSA-N	361.310	1.496	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1-c1ccccn1	40267065	KLXMQOHNRDPAFU-UHFFFAOYSA-N	357.333	1.203	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)cc1	2858203	CLGUUVYZLUEPAQ-UHFFFAOYSA-N	356.385	1.045	5	50	FDBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCCC1	4158828	SJUBOYNSTDMKTF-UHFFFAOYSA-N	369.443	1.996	5	50	FDBA	
CC(C)(Cc1c(C(=O)O)[nH]c(C(=O)O)c1CC(C)(C)[N+](=O)[O-])[N+](=O)[O-]	25540357	USHQCTWUMNPBTJ-UHFFFAOYSA-N	357.319	1.607	5	50	FDBA	
Cc1nn(CC(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c(C)c1[N+](=O)[O-]	1012157	QYBKKIIJOMRPDZ-LBPRGKRZSA-N	367.259	1.215	5	50	FDBA	
Cc1cc(Cl)c(S(=O)(=O)Nc2nc3ncccn3n2)cc1[N+](=O)[O-]	225461588	MTYVRKAVLXGFIR-UHFFFAOYSA-N	368.762	1.795	5	50	FDBA	
CC(C)[C@H]1N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@]12C[C@@H](N)[C@H](O)C2	725373491	WDBVMLVFSJWPFK-UIBBOPPKSA-N	369.443	1.092	5	50	FDBA	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCCC1)S(C)(=O)=O	1132640	NFGOPPDIQWRXRS-UHFFFAOYSA-N	355.416	1.682	5	50	FDBA	
CN1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1	4192440	QHHJIMAXDWGZRE-UHFFFAOYSA-N	353.322	1.640	5	50	FDBA	
O=c1/c(=C/c2cccs2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	4873230	USHVUNCBWKORRA-ZSOIEALJSA-N	372.431	1.763	5	50	FDBA	
O=C1NC(=O)[C@H]2[C@@H]1N(Cc1ccccc1)N[C@H]2c1ccc([N+](=O)[O-])cc1	100864094	BXRVAWQWSBMDNP-PMPSAXMXSA-N	352.350	1.298	5	50	FDBA	
COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)c1=N	100662707	DDBMDXVXDKTKRM-UHFFFAOYSA-N	364.361	1.865	5	50	FDBA	
O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1n[nH]cc1[N+](=O)[O-]	1002704	XAZVVXYHRTUNQS-UHFFFAOYSA-N	365.371	1.355	5	50	FDBA	
Cc1nn(C)cc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	17075060	NSDCXGSKPGYRMX-UHFFFAOYSA-N	365.415	1.148	5	50	FDBA	
C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	245204948	JVLBPIPGETUEET-UGTAXJHQSA-O	356.442	1.670	5	50	FDBA	world
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	1060041	LMFRIRMAEBKYDN-ZFWWWQNUSA-N	361.354	1.945	5	50	FDBA	
CCc1[nH]nc(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1[N+](=O)[O-]	183593572	IIZLKOZISYBPNP-LLVKDONJSA-N	357.370	1.695	5	50	FDBA	
NC(=O)c1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1N1CCCCC1	1875309407	OUUAGRSUDVWHTL-UHFFFAOYSA-N	358.358	1.659	5	50	FDBA	
O=C(COc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	893175	FLZIJTLGLDSTJM-UHFFFAOYSA-N	369.377	1.958	5	50	FDBA	
O=C(O)CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	4837030	YENWHBXQSZDNOE-JLHYYAGUSA-N	373.321	1.550	5	50	FDBA	
CCCN(CC(=O)OCC)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	298889867	UYANKASEZIXVDG-UHFFFAOYSA-N	360.388	1.567	5	50	FDBA	
O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	1174814	BMSMDSMCIKEEQB-UHFFFAOYSA-N	365.367	1.335	5	50	FDBA	
COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	4851575	QONCHLXJRZFUQK-UHFFFAOYSA-N	350.352	1.963	5	50	FDBA	
CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	35961613	RYAGVQAPTVCCBA-ZDUSSCGKSA-N	365.342	1.890	5	50	FDBA	
COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=N	100627305	VHVVLWMFLIQUMQ-LBPRGKRZSA-N	368.393	1.403	5	50	FDBA	
COc1cc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc([N+](=O)[O-])c1	2808132	MEKRPJGDYVFTKL-JTQLQIEISA-N	357.388	1.214	5	50	FDBA	
COc1ccc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1	6642286	ONJPRFBAJFESBL-SNVBAGLBSA-N	357.388	1.214	5	50	FDBA	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	229904121	RROXMKQYDIDXCF-SUMWQHHRSA-N	358.354	1.204	5	50	FDBA	
C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1	1875370399	NNLVIFYQUQBCNJ-UHFFFAOYSA-N	372.425	1.668	5	50	FDBA	
CCOc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1[N+](=O)[O-]	262884556	HJPZFBPAAZRWFT-ZDUSSCGKSA-N	366.370	1.851	5	50	FDBA	
C[C@H]1C[C@H](S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1	295237515	ULYFXIQWIYNAJS-XJKSGUPXSA-N	369.443	1.614	5	50	FDBA	
Cc1ccc(NC(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)cc1	5659201	PCFKUDOCWNPWAX-UHFFFAOYSA-N	359.382	1.947	5	50	FDBA	
COC(C)(C)CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	225549109	ITSHTJTYVAFXKA-UHFFFAOYSA-N	357.432	1.472	5	50	FDBA	
Cc1nn(CC(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)c(C)c1[N+](=O)[O-]	1012158	QYBKKIIJOMRPDZ-GFCCVEGCSA-N	367.259	1.215	5	50	FDBA	
O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1[N+](=O)[O-]	6898699	DZESXPOGCXJCEA-UHFFFAOYSA-N	357.351	1.891	5	50	FDBA	
CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1	1137280	TVPNDNHTJVTOKZ-UHFFFAOYSA-N	355.416	1.763	5	50	FDBA	
CNC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=N	100627831	FXXMTGPLXDGKTR-UHFFFAOYSA-N	351.410	1.993	5	50	FDBA	
O=C(NCCO)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1	2824673	ZDOJAEKBUANJNN-RAXLEYEMSA-N	361.379	1.536	5	50	FDBA	
C[C@@H](O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1	225529313	LKRQAVARYLEUNF-SECBINFHSA-N	358.192	1.387	5	50	FDBA	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc(N2CCOCC2)c(Cl)c1	1060526	VXTUESSOPUIRIV-UHFFFAOYSA-N	366.765	1.315	5	50	FDBA	
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4983816	QWBYGWKDEOJXOU-CYBMUJFWSA-N	367.427	1.502	5	50	FDBA	
O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)N1CCCC1	2620219	FOAUJYUTRFJAAF-CYBMUJFWSA-N	367.427	1.618	5	50	FDBA	
Cc1cc(=O)n(C)c(=O)n1[C@H](C)C[N+](C)(C)Cc1cccc([N+](=O)[O-])c1	2390817	VUIKNPRNNZWUAB-CQSZACIVSA-N	361.422	1.601	5	50	FDBA	
O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)N1CCCC1	2620220	FOAUJYUTRFJAAF-ZDUSSCGKSA-N	367.427	1.618	5	50	FDBA	
CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21	100627727	WKDKITJOZWMAMM-UHFFFAOYSA-N	374.404	1.474	5	50	FDBA	
C[N@@+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	261506651	QVVOZYKELHAIPX-IGDPVYPXSA-N	358.458	1.843	5	50	FDBA	investigational
O=c1nc([C@@H]2CCCCN2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[nH][nH]1	253431541	WFTKSADWUXCBNH-LBPRGKRZSA-N	371.357	1.783	5	50	FDBA	
C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC[C@@H](C)C3)n2)C[C@H](C)O1	245225660	BEBGCPKCPRJWBH-WOPDTQHZSA-N	350.423	1.817	5	50	FDBA	
O=C(O)c1ccccc1C(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	5093802	AACVSJWFFWHLJA-UHFFFAOYSA-N	355.350	1.934	5	50	FDBA	
O=C(O)[C@@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1	262879171	LBENTDHYZRLUFZ-KRWDZBQOSA-N	366.373	1.467	5	50	FDBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1	4117514	MHHWNXFULUHPMR-UHFFFAOYSA-N	354.432	1.641	5	50	FDBA	
O=c1/c(=C/c2ccncc2)sc2n1CN(c1ccc([N+](=O)[O-])cc1)CN=2	4707058	WVXKCZFNSOVVGA-DHDCSXOGSA-N	367.390	1.097	5	50	FDBA	
CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1	35839533	MTZHBAGXNWIUHY-CYBMUJFWSA-N	367.383	1.835	5	50	FDBA	
CN(C)C(=O)Cn1cc(Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])cn1	497532554	JPNJRAJEBUOREV-UHFFFAOYSA-N	367.387	1.027	5	50	FDBA	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	8974485	RROXMKQYDIDXCF-CXAGYDPISA-N	358.354	1.204	5	50	FDBA	
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)c([N+](=O)[O-])c1)C2=O	2078941	ANVRIYQNASUAAE-UHFFFAOYSA-N	356.246	1.792	5	50	FDBA	
O=[N+]([O-])c1cnc2ccc(NC[C@]3(CO)C[C@H]3c3ccc(F)cc3)nn12	428652338	OBDUEMUKXIWKNB-GUYCJALGSA-N	357.345	2.355	5	50	FDBA	
CC(C)[C@@](C)(NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O	290023945	WAXKFGMNFINMGD-CYBMUJFWSA-N	358.192	1.987	5	50	FDBA	
CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(C(=O)OC(C)(C)C)C1	170646562	CEMPHMKOUPULBF-LBPRGKRZSA-N	367.406	1.649	5	50	FDBA	
CCOC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1	4263274	YJOVZLJEBHVTKH-UHFFFAOYSA-N	371.415	1.674	5	50	FDBA	
O=C(O)[C@H]1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CCO1	262879176	LBENTDHYZRLUFZ-QGZVFWFLSA-N	366.373	1.467	5	50	FDBA	
Cn1cc([N+](=O)[O-])c(COC(=O)c2ccc(=O)n(-c3ccc(F)cc3)c2)n1	1875359343	AWSOQZTWAVFSIM-UHFFFAOYSA-N	372.312	1.975	5	50	FDBA	
C[C@@H](Cn1cncn1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	815009269	CNZPXCYYMYOKRM-ZETCQYMHSA-N	363.758	1.346	5	50	FDBA	
Cn1nnnc1SCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	2863329	CQVZTYBTYFWNRJ-UHFFFAOYSA-N	351.373	1.459	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@H]12	170620957	BXRVAWQWSBMDNP-OAGGEKHMSA-N	352.350	1.298	5	50	FDBA	
CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1=O	299249506	OHAJEDSACQAKLA-BJOHPYRUSA-N	366.399	1.827	5	50	FDBA	
CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2ccco2)c1=N	100627238	PLLAVVLORZSFML-UHFFFAOYSA-N	363.377	1.438	5	50	FDBA	
C[C@H](O)CCN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O	252508456	XNNDFHYVTPQYIQ-VIFPVBQESA-N	368.777	1.982	5	50	FDBA	
CS(=O)(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	2852181	SEHYEUQFPKNYST-UHFFFAOYSA-N	363.398	1.256	5	50	FDBA	
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1	2828649	WRQGXWVGUOLZCL-UHFFFAOYSA-N	356.404	1.069	5	50	FDBA	
CCn1c(CNC(C)=O)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1	1149038	PMDACTVMXIIVPN-UHFFFAOYSA-N	363.399	1.817	5	50	FDBA	
NC1(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	237898824	SVDRPRMYSZOYMB-UHFFFAOYSA-N	358.320	1.754	5	50	FDBA	
COCCn1ccc2nc3ccn(Cc4ccccn4)c(=O)c3cc2c1=O	36125597	RZBGQDCZXOCQHG-UHFFFAOYSA-N	362.389	1.801	5	50	FDBA	
COc1ccccc1[C@@H](N)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	170684727	ARQJOJCGZCEAIP-AWEZNQCLSA-N	351.384	1.582	5	50	FDBA	
C[C@@H]1CN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CCN1CCO	187296594	QNEYOTYPXSXZGS-GFCCVEGCSA-N	371.821	1.542	5	50	FDBA	
CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N	100627241	PTALCLVBODYBCR-UHFFFAOYSA-N	363.377	1.520	5	50	FDBA	
COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)c1N	170619881	XESYMXSIIAHMNC-UHFFFAOYSA-N	369.330	1.904	5	50	FDBA	
CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	4188528	CYGZODPPWUAGEI-UHFFFAOYSA-N	350.356	1.859	5	50	FDBA	
NC(=O)c1c(NC(=O)CCn2ccc([N+](=O)[O-])n2)sc2c1CCCC2	2781340	OFUMDLPAQLWNLL-UHFFFAOYSA-N	363.399	1.859	5	50	FDBA	
COC[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1	193668551	WFVXZCLKWAINGQ-LSDHHAIUSA-N	354.794	1.783	5	50	FDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(C(F)F)C[C@@]1(O)C(F)F	654151	SJHILHFMWAVDLS-CYBMUJFWSA-N	365.239	1.781	5	50	FDBA	
O=C1NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]2[C@H]1[C@H]1C=C[C@H]2C12CC2	245238600	VXATYHIRCKFCEU-DMTCVQMQSA-N	370.321	1.709	5	50	FDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(C(F)F)C[C@]1(O)C(F)F	654148	SJHILHFMWAVDLS-ZDUSSCGKSA-N	365.239	1.781	5	50	FDBA	
CC[C@H](C(=O)N1N=C(C)C[C@]1(O)C(F)(F)F)n1nc([N+](=O)[O-])cc1C	6555276	XIOSSPNALAOHAC-SKDRFNHKSA-N	363.296	1.910	5	50	FDBA	
COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCC2	673132	ZSARXPNXOGDPEU-UHFFFAOYSA-N	350.356	1.767	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccn1	1069036	AFTFZWNUSLTQFP-UHFFFAOYSA-N	354.164	1.574	5	50	FDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1	245227803	QLVMXYZTUVQCPF-OCKGCPIVSA-N	367.361	1.586	5	50	FDBA	
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCN(c2ccccc2)CC1	4757647	BAROTEGTSYTJQY-UHFFFAOYSA-N	366.381	1.741	5	50	FDBA	
COc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1	2751392	SUCREDSFLVFGDC-UHFFFAOYSA-N	372.333	1.759	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)NN2Cc1ccccc1	238901118	LBLBOKPVFMOUGK-JYJNAYRXSA-N	352.350	1.298	5	50	FDBA	
O=C(NCc1nc2ccccc2[nH]1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12360104	WPFZXRWVJXVJOF-UHFFFAOYSA-N	368.313	1.029	5	50	FDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)Nc1ccc([N+](=O)[O-])cc1	245227805	QLVMXYZTUVQCPF-OMDWYFEUSA-N	367.361	1.586	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1	5208313	ICLOBNSMMMEPFP-UHFFFAOYSA-N	366.355	1.895	5	50	FDBA	
NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1	1169064	BRUWSIPWBUQKSO-UHFFFAOYSA-N	370.365	1.783	5	50	FDBA	
CC(C)CNc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	4740887	CCHPXYXUGBYONJ-UHFFFAOYSA-N	356.448	1.744	5	50	FDBA	
NS(=O)(=O)c1ccc(N[C@@H](C(=O)O)c2ccccc2)c([N+](=O)[O-])c1	170626169	DBXHBVSPOFDEGY-CYBMUJFWSA-N	351.340	1.480	5	50	FDBA	
CCCOC(=O)C(C(=O)OCCC)[C@@H](C(N)=O)c1ccccc1[N+](=O)[O-]	3081002	XHUFJAJKDUDDQM-ZDUSSCGKSA-N	366.370	1.686	5	50	FDBA	
COc1nn([C@H](C)C(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	5950542	MHLDSXWEAMJATC-HQJQHLMTSA-N	365.268	1.220	5	50	FDBA	
CC(C)[C@H]1N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@]12C[C@@H](N)[C@H](O)C2	725373489	WDBVMLVFSJWPFK-CUBALJKWSA-N	369.443	1.092	5	50	FDBA	
C=CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1	1875372206	ZWZOCBAPJAFOFM-KGLIPLIRSA-N	361.402	1.379	5	50	FDBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C1=O	4594367	ULWLLNHCRXHCGF-QGZVFWFLSA-N	360.370	1.404	5	50	FDBA	
COc1ccc(OC)c(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)c1	2885083	ASDDGLTYPJTZCF-UHFFFAOYSA-N	359.338	1.981	5	50	FDBA	
Cc1noc([C@@]2(C(F)(F)F)CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)n1	952895988	ZKHSYGGTSDJMNC-LLVKDONJSA-N	360.252	1.356	5	50	FDBA	
COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	1194295	QLGGIWRBJDKNGM-UHFFFAOYSA-N	350.352	1.963	5	50	FDBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)n1cc(I)cn1	4727247	QNDPNHJHLXLSMC-UHFFFAOYSA-N	361.099	1.241	5	50	FDBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nccc(N3CCCC3)n2)CC1	952891883	JWLXPLLJYOZMNT-UHFFFAOYSA-N	371.401	1.728	5	50	FDBA	
O=C1C[C@@H]2OC=C3CN4CC[C@]56c7cc([N+](=O)[O-])ccc7N1[C@@H]5[C@@H]2[C@H]3C[C@@H]46	245312292	SWMNDZUNHXZQLU-YMKHPPHNSA-N	365.389	1.958	5	50	FDBA	
CCN(CC)C(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccc([N+](=O)[O-])c1	4867510	WCWSWCUHEDNFPD-CQSZACIVSA-N	357.374	1.739	5	50	FDBA	
CS(=O)(=O)N(CC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc([N+](=O)[O-])c1	101894771	GCUXEOGDEIHEEP-SLEUVZQESA-N	367.427	1.666	5	50	FDBA	
O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	1837971	XJBOXXHJGLVIIB-UHFFFAOYSA-N	356.334	1.680	5	50	FDBA	
O=C([C@H]1CC12CCS(=O)(=O)CC2)N1CCc2ccc([N+](=O)[O-])cc2C1	408020279	DGMWZJODNHRDJZ-OAHLLOKOSA-N	364.423	1.694	5	50	FDBA	
Cc1ccc([C@@H](C)NC(=O)CCn2nc3ccccn3c2=O)cc1[N+](=O)[O-]	170653406	NQXLLIOFEAKIMJ-CYBMUJFWSA-N	369.381	1.980	5	50	FDBA	
CCC(=O)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	3998708	RZQBGXQUPPXBDM-UHFFFAOYSA-N	366.393	1.629	5	50	FDBA	
COC(=O)[C@@H]1CCN2C(=O)N(c3ccc(OC)c([N+](=O)[O-])c3)C(=O)[C@H]2C1	277992166	FLQJZRYIVULXHL-BXKDBHETSA-N	363.326	1.324	5	50	FDBA	
CC(C)[C@H](Nc1nc(N2CCC[C@H]2C(=O)O)ccc1[N+](=O)[O-])C(=O)O	4106677	SWXCOMQBIUDZKM-JQWIXIFHSA-N	352.347	1.564	5	50	FDBA	
CC[C@@H](C(=O)N1N=C(C)C[C@]1(O)C(F)(F)F)n1nc([N+](=O)[O-])cc1C	6554840	XIOSSPNALAOHAC-CABZTGNLSA-N	363.296	1.910	5	50	FDBA	
O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1c[nH]nc1[N+](=O)[O-]	170618735	GRVNFTULEVNLDI-UHFFFAOYSA-N	360.305	1.870	5	50	FDBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCCN2CCOCC2)c([N+](=O)[O-])c1	104243316	CNQRLKKMOOJYRS-UHFFFAOYSA-N	355.307	1.545	5	50	FDBA	
O=C(NCc1ccccc1)c1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1	4821314	ANVQWXGVUHNRBI-UHFFFAOYSA-N	363.337	1.753	5	50	FDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	245227789	QKOGNDPRIJAJBD-OCKGCPIVSA-N	367.361	1.586	5	50	FDBA	
NS(=O)(=O)c1ccc(Oc2cc3ncnc(O)c3cc2[N+](=O)[O-])cn1	1875336810	HWZBFHZJUIABPQ-UHFFFAOYSA-N	363.311	1.078	5	50	FDBA	
CCOC(=O)Cn1nc(C)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	1429212	VIAXLEOMNUWQMN-UHFFFAOYSA-N	364.362	1.115	5	50	FDBA	
CC[C@H](C(=O)N1N=C(C)C[C@@]1(O)C(F)(F)F)n1nc([N+](=O)[O-])cc1C	6555266	XIOSSPNALAOHAC-BXKDBHETSA-N	363.296	1.910	5	50	FDBA	
O=C1C[C@H]2C(=O)C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12	143678980	LGHKROZCWUTKDD-ZPAAZFHLSA-N	362.725	1.532	5	50	FDBA	
CN(C)CC(=O)Nc1ccc(NC(=O)c2cnc(O)c([N+](=O)[O-])c2)cc1	170600708	VXNFZECLMVETAZ-UHFFFAOYSA-N	359.342	1.448	5	50	FDBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C)C3=O)[C@H]2C1	248078332	ZXGOGWPONWULQX-RUHJCQMXSA-N	372.381	1.450	5	50	FDBA	
O=C(O)COc1ccc([N+](=O)[O-])c(-n2cnc(C(F)(F)F)cc2=O)c1	261494818	JMZOITOUTANVBK-UHFFFAOYSA-N	359.216	1.623	5	50	FDBA	
CCOCCCn1c(=N)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	100628036	NUEJSROQNHJIIW-UHFFFAOYSA-N	370.409	1.732	5	50	FDBA	
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1	52507876	CWHSHYKUHDXSNT-JTQLQIEISA-N	366.374	1.880	5	50	FDBA	
COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(OC)c1	8396880	JRLHQZTVUAVDFN-UHFFFAOYSA-N	365.302	1.664	5	50	FDBA	
O=C(N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	1208371	QAIHMGGRVMYJOR-MSOLQXFVSA-N	367.361	1.967	5	50	FDBA	
O=c1/c(=C/c2ccco2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	1182484	BMOXVWBWAJILBX-ZSOIEALJSA-N	356.363	1.295	5	50	FDBA	
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)[C@@]2(O)[C@@H]1C(=O)Nc2ccccc21	5049169	PPOWNERZLJQTJI-KSSFIOAISA-N	353.334	1.803	5	50	FDBA	
O=[N+]([O-])c1sccc1S(=O)(=O)N1CCN(Cc2cccnc2)CC1	170606677	KODZKRNZNWTBTA-UHFFFAOYSA-N	368.440	1.558	5	50	FDBA	
COC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	2817472	DOJYBKFODDHEJV-JYOAFUTRSA-N	366.307	1.533	5	50	FDBA	
C[C@H]1C=Nc2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3c(=O)c21	22078755	HRSYFWLXXMTVDY-OITNDJBGSA-N	354.347	1.392	5	50	FDBA	
C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](c2ccccc2)O1	299467425	ANBCYJUCRQWWBI-CZUORRHYSA-N	357.366	1.745	5	50	FDBA	
CC(=O)N1CCN(c2cc(N3CCN(C)CC3)c(F)cc2[N+](=O)[O-])CC1	4619349	JGRFTNMCCRXVNY-UHFFFAOYSA-N	365.409	1.154	5	50	FDBA	
O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1nonc1[N+](=O)[O-]	12375210	OKDJKCRBPHZECR-UHFFFAOYSA-N	365.287	1.493	5	50	FDBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)O)cc2)c1	8765695	AWVJFWPLPCLFEY-UHFFFAOYSA-N	358.353	1.642	5	50	FDBA	
C[C@H]1C[C@@H](S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1	295237512	ULYFXIQWIYNAJS-BBRMVZONSA-N	369.443	1.614	5	50	FDBA	
C=CC(=O)N1CCC(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1	1875369345	JIULUXHESIYHJD-UHFFFAOYSA-N	372.425	1.668	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1Cc1cccnc1	36353397	JFSVOIAAMDXZIB-UHFFFAOYSA-N	371.360	1.262	5	50	FDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](C(=O)O)[C@H](O)c1ccccc1	5010002	HGCKJFOQVURIHX-HZPDHXFCSA-N	360.322	1.277	5	50	FDBA	
COc1ccc(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c([N+](=O)[O-])c1	6642288	ONJPRFBAJFESBL-JTQLQIEISA-N	357.388	1.214	5	50	FDBA	
CCc1cc(N[C@@H]2CC(=O)N(C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)n1	170642188	WGAVTTUSLHGFHP-CYBMUJFWSA-N	355.354	1.783	5	50	FDBA	
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1CN(c1ccccc1)CN=2	1180630	CVNWDOFHSNFXOM-YBEGLDIGSA-N	366.402	1.702	5	50	FDBA	
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1	1183319	BGCNZNXNQURJDY-UHFFFAOYSA-N	363.395	1.144	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1	19852891	PRGMBOXIOOWYAQ-UHFFFAOYSA-N	362.411	1.496	5	50	FDBA	
COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2C)sc2c1CCC2	4776214	FKQAUKRWCSCDJX-UHFFFAOYSA-N	350.356	1.917	5	50	FDBA	
CC1(C)Cc2c(cnn2-c2ccncc2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	952891401	DIVJJCVENJAVIW-HUUCEWRRSA-N	355.398	1.843	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c(Cl)c1	4187729	NSGFJKQVNRWPEC-UHFFFAOYSA-N	374.850	1.711	5	50	FDBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc(C)cc3c2=O)n1	2780456	YKZMIKJAYAOWFM-UHFFFAOYSA-N	362.371	1.583	5	50	FDBA	
CCn1cc(Cn2cc(NC(=O)c3nn(CC)cc3[N+](=O)[O-])cn2)cn1	2805080	XKWXJCXIUMAKPT-UHFFFAOYSA-N	358.362	1.525	5	50	FDBA	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2ccccc2c(=O)o1	1085698	UJBFENQSEDVYEW-UHFFFAOYSA-N	351.274	1.892	5	50	FDBA	
Cc1ccc(NC(=O)CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)c([N+](=O)[O-])c1	252673052	QUTHTLKZZOOSHO-DZGCQCFKSA-N	369.443	1.739	5	50	FDBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1Cc1ccco1	32104061	SNTFJUAJCAUZDB-UHFFFAOYSA-N	360.333	1.460	5	50	FDBA	
Cc1nnc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1	1904017	MCTMAJPLXGBSOX-UHFFFAOYSA-N	361.339	1.380	5	50	FDBA	
CCOC(=O)c1cnc(C(C(=O)OCC)C(=O)OCC)c([N+](=O)[O-])c1	250477035	RIMXWZSFQCBHBJ-UHFFFAOYSA-N	354.315	1.376	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCOCC3(CC3)C2)c2ncccc12	408243239	FBOBCGUBZUZEJM-UHFFFAOYSA-N	363.395	1.944	5	50	FDBA	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1C(=O)O	5198096	ZWDTZDCCNRYIIA-UHFFFAOYSA-N	369.289	1.528	5	50	FDBA	
CCOc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-]	1159646	RGHVIEKNOWIWMT-NSHDSACASA-N	351.315	1.500	5	50	FDBA	
CCOc1cc(N2CCC(n3cnc(C(N)=O)c3N)CC2)ccc1[N+](=O)[O-]	225813846	LZMBPJQUCOEZAJ-UHFFFAOYSA-N	374.401	1.713	5	50	FDBA	
Cc1noc([C@]2(C(F)(F)F)CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)n1	952895989	ZKHSYGGTSDJMNC-NSHDSACASA-N	360.252	1.356	5	50	FDBA	
CC(=O)Nc1ccc(S(=O)(=O)NNc2cccc([N+](=O)[O-])c2)cc1	71769941	WWADHPACPZKHKO-UHFFFAOYSA-N	350.356	1.859	5	50	FDBA	
COc1cccc(NCCS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1[N+](=O)[O-]	170598661	QZOZDNHHBXTAEE-TXEJJXNPSA-N	373.431	1.454	5	50	FDBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1	797416	BKOVPAWFJFFLBG-UHFFFAOYSA-N	354.164	1.574	5	50	FDBA	
O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	987375	FDXZSQGJUWXJRX-UHFFFAOYSA-N	368.301	1.617	5	50	FDBA	
N[C@@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(Cl)CS[C@H]12	31351316	YLIOIMWNSIRKDG-ZWNOBZJWSA-N	369.786	1.331	5	50	FDBA	
CCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21	100627756	ZADHPUQJIOROFM-UHFFFAOYSA-N	351.410	1.821	5	50	FDBA	
COC[C@@H](CCO)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	269125706	FKZJADPGWVNHEY-CQSZACIVSA-N	354.406	1.668	5	50	FDBA	
Cn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2[N+](=O)[O-])c1=O	4615109	MFIHKIXXSIWTPB-UHFFFAOYSA-N	354.322	1.247	5	50	FDBA	
CC(C)(C)OC(=O)N1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C(=O)O	169725760	HIYCKKNLLDLWPP-NSHDSACASA-N	352.347	1.500	5	50	FDBA	
CCc1[nH]nc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1[N+](=O)[O-]	183593556	IIZLKOZISYBPNP-NSHDSACASA-N	357.370	1.695	5	50	FDBA	
CNC(=O)c1ccc(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)cc1	1352257868	LJIKJTBKYFERKO-UHFFFAOYSA-N	366.337	1.787	5	50	FDBA	
CCOc1c(O)ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC)c1[N+](=O)[O-]	1136736	JHMDXHRZHCUNQQ-GFCCVEGCSA-N	365.342	1.842	5	50	FDBA	
COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)O)cc1[N+](=O)[O-]	8834629	GXXDTRSURHZDCI-SECBINFHSA-N	364.401	1.088	5	50	FDBA	
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NCCn1cc([N+](=O)[O-])cn1	2777608	KLBARHARUUWAEN-UHFFFAOYSA-N	372.307	1.700	5	50	FDBA	
CCn1cc(S(=O)(=O)NC(=O)c2cc(F)cc([N+](=O)[O-])c2)nc1C	770202467	WDOCTZWOWKIFAK-UHFFFAOYSA-N	356.335	1.377	5	50	FDBA	
O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl	222255453	UXJGOYNFVIBXTM-FJJYHAOUSA-N	350.714	1.054	5	50	FDBA	
COCCn1ccc2ncc3c(=O)n(Cc4ccco4)ccc3c2c1=O	71754974	CXGHPGNKMYLBRL-UHFFFAOYSA-N	351.362	1.999	5	50	FDBA	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	44606380	STTHYHCGTRVARB-UHFFFAOYSA-N	371.415	1.836	5	50	FDBA	
CN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	4832414	PZLQQYGUPRPLHL-UHFFFAOYSA-N	363.395	1.532	5	50	FDBA	
COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1[N+](=O)[O-]	1049183	BAEKBOYJJVIPDU-UHFFFAOYSA-N	359.338	1.795	5	50	FDBA	
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H](Oc3ccncc3)C2)c1	225736302	MJLKMHXGHOBVRW-CRAIPNDOSA-N	359.382	1.883	5	50	FDBA	
COc1ccc([C@H](N)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	170684734	AUHFIAMSBWADBC-OAHLLOKOSA-N	351.384	1.582	5	50	FDBA	
CNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N	100627185	QCWKZNRHHNECCF-UHFFFAOYSA-N	373.416	1.731	5	50	FDBA	
CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	156129224	LPIKCQVNGWAMMG-GFCCVEGCSA-N	361.354	1.870	5	50	FDBA	
CCOC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)NN=C2C[C@]1(C)O	245296086	KONHVAPSKTWBQT-WVZRYYJFSA-N	361.354	1.114	5	50	FDBA	
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C(=O)O	169725769	VWRHJYXOPCWYJO-NSHDSACASA-N	352.347	1.500	5	50	FDBA	
O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-]	4548517	PQPVCBNFKZXXQG-UHFFFAOYSA-N	362.367	1.917	5	50	FDBA	
Cc1ccc(OCC(=O)Nc2cnn(CCCC(=O)O)c2)c([N+](=O)[O-])c1	1426779	COPSMCHWVCKPCM-UHFFFAOYSA-N	362.342	1.982	5	50	FDBA	
O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c([nH]1)CCOC2	838458777	MMKMKNDLYUYFMW-MRXNPFEDSA-N	371.349	1.958	5	50	FDBA	
COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(Br)cc1	2884500	IJEYULCFWNFLCB-SNVBAGLBSA-N	360.160	1.772	5	50	FDBA	
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	229904202	DQGQVAGIUNPNRS-KSSFIOAISA-N	372.381	1.595	5	50	FDBA	
O=C(O)CCNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	2275160	QHRRIONBVJHSGI-JLHYYAGUSA-N	373.321	1.550	5	50	FDBA	
Nc1nonc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F	4116392	KDLCIAFPVGPOLT-UHFFFAOYSA-N	360.252	1.421	5	50	FDBA	
O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN2CCC[C@H]2C1	2767078	CESKAOKMUSAHOK-INIZCTEOSA-N	355.398	1.760	5	50	FDBA	
CN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)NC1=S	230028455	WDROLQJGZOXBSS-GUYCJALGSA-N	374.422	1.369	5	50	FDBA	
Cc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)o1	13711896	MUSVOMCTIWXHOQ-NVNXTCNLSA-N	370.390	1.603	5	50	FDBA	
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1	248343091	ZLLQOFBTQIIREK-TVQRCGJNSA-N	358.354	1.108	5	50	FDBA	
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2C[C@@H](O)CC[C@H]2C1	450806002	FBRSGPGKMDDUJV-MDZLAQPJSA-N	355.416	1.230	5	50	FDBA	
COc1ccc(S(=O)(=O)N2CC(Nc3ccc([N+](=O)[O-])cn3)C2)cc1	270417435	ZCHHDXCFKIYREC-UHFFFAOYSA-N	364.383	1.483	5	50	FDBA	
O=C([C@@H]1CCCCN1c1nc2ccccn2c1[N+](=O)[O-])N1CCOCC1	225442671	LWCSFTMTTKHIGW-ZDUSSCGKSA-N	359.386	1.460	5	50	FDBA	
NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)c2ccccc2C1=O	4755205	WLKFETHBQCFOSK-UHFFFAOYSA-N	354.322	1.402	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NN2Cc1ccccc1	100572037	RFUQXKAMMYOFQW-ZBFHGGJFSA-N	350.334	1.456	5	50	FDBA	
COC(=O)CN1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	36180228	JVBKBXDFLJSEDK-BJMVGYQFSA-N	368.323	1.518	5	50	FDBA	
COC(=O)[C@H]1CCN2C(=O)N(c3ccc(OC)c([N+](=O)[O-])c3)C(=O)[C@H]2C1	277992176	FLQJZRYIVULXHL-JOYOIKCWSA-N	363.326	1.324	5	50	FDBA	
O=C(NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccc([N+](=O)[O-])cc1	2897835	BOADJYDFIYWQMC-UHFFFAOYSA-N	356.250	1.444	5	50	FDBA	
COC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ncc([N+](=O)[O-])cc12	79034046	FPYPFZYYLWIUGY-UHFFFAOYSA-N	361.335	1.968	5	50	FDBA	
COc1cccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	4845550	ZRQYEIILLTXTNH-UHFFFAOYSA-N	352.368	1.961	5	50	FDBA	
COc1ccccc1-n1cnc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c1	1875335167	UWOFLLYRYCBNOU-UHFFFAOYSA-N	357.326	1.843	5	50	FDBA	
CC(C)[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)(C)C	1893980	QYXQLPBPXAAUQC-CYBMUJFWSA-N	357.432	1.812	5	50	FDBA	
C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)C(=O)O	4843945	HGYAMJBKPQSFID-QQMDNXKGSA-N	373.321	1.548	5	50	FDBA	aggregator
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	101054940	HDGUXDXBVUDVSL-VCXDHIOWSA-N	371.349	1.349	5	50	FDBA	
CCOC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)CC1	20606826	OHDJJWUGRMHBTA-GFCCVEGCSA-N	351.359	1.663	5	50	FDBA	
Cc1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(=O)n(-c2ccccc2)n1C	1429874	UXYPLNJRZHPQFM-UHFFFAOYSA-N	356.342	1.228	5	50	FDBA	
CNC(=O)c1ccc(Cl)c(NC(=O)NCCn2cc([N+](=O)[O-])cn2)c1	122010325	JGJVEIGOBDQXLX-UHFFFAOYSA-N	366.765	1.626	5	50	FDBA	
COc1ccnc(N2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1	170613111	LYDFPWFJVICKNP-UHFFFAOYSA-N	355.358	1.596	5	50	FDBA	
CN(C)CC1(NC(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1	225611495	OLLPVWFBLUGNJF-UHFFFAOYSA-N	368.821	1.579	5	50	FDBA	
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O	34805674	HMUVNDUXYVHYPO-CYBMUJFWSA-N	365.342	1.889	5	50	FDBA	
CC(C)CCn1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O	40267891	XODSIIPRGIBVTL-UHFFFAOYSA-N	350.382	1.865	5	50	FDBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C1=O	4594369	ULWLLNHCRXHCGF-KRWDZBQOSA-N	360.370	1.404	5	50	FDBA	
COc1cc(Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])nc1[N+](=O)[O-]	9600667	SLGDSQYSJGJHQH-UHFFFAOYSA-N	369.315	1.298	5	50	FDBA	
O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	1170843	HYQMYKCQKHPPDG-UHFFFAOYSA-N	368.301	1.617	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)NN2Cc1ccccc1	100864091	BXRVAWQWSBMDNP-JYJNAYRXSA-N	352.350	1.298	5	50	FDBA	
COc1cc(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)cc([N+](=O)[O-])c1	2808133	MEKRPJGDYVFTKL-SNVBAGLBSA-N	357.388	1.214	5	50	FDBA	
O=C(CCn1cc([N+](=O)[O-])cn1)NCCCn1cc(Br)cn1	2776631	MQCFNECXZWDYMS-UHFFFAOYSA-N	371.195	1.347	5	50	FDBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	100081406	NGCADDLCEFIJRL-KUDNYVPYSA-N	355.350	1.649	5	50	FDBA	
Cc1nn(C[C@@H](C)C(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6921010	VESBHTANAUGEOL-JMCQJSRRSA-N	363.296	1.513	5	50	FDBA	
CN1C(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2C1=O	754184	OSOYNLHOCMPOCB-UHFFFAOYSA-N	351.274	1.621	5	50	FDBA	
CCOC(=O)c1cnc([S@@](C)=O)nc1OCc1ccc([N+](=O)[O-])cc1	44127005	IKJUPIOMTYIQGH-VWLOTQADSA-N	365.367	1.878	5	50	FDBA	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	6386391	FNYGSFIGPKAOOG-UHFFFAOYSA-N	371.415	1.836	5	50	FDBA	
COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	22015911	QCWCHLAEFLCDDO-OAHLLOKOSA-N	364.379	1.657	5	50	FDBA	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)NN=C2C[C@]1(C)O	248318859	PGLOJNOMLZJZLP-WVZRYYJFSA-N	361.354	1.114	5	50	FDBA	
CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	245256602	RUCPNNWCOQOMKP-GJZGRUSLSA-N	361.446	1.807	5	50	FDBA	
CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)CC1	20606827	OHDJJWUGRMHBTA-LBPRGKRZSA-N	351.359	1.663	5	50	FDBA	
COC[C@H](CCO)NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	269125705	FKZJADPGWVNHEY-AWEZNQCLSA-N	354.406	1.668	5	50	FDBA	
CCc1cc(N[C@H]2CC(=O)N(C)C2=O)nc(-c2ccc([N+](=O)[O-])cc2)n1	170642189	WGAVTTUSLHGFHP-ZDUSSCGKSA-N	355.354	1.783	5	50	FDBA	
CCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])nc2Br)cc1	1433041	AONXVJXLEIAIBC-UHFFFAOYSA-N	370.163	1.986	5	50	FDBA	
COC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N	100627226	VRDGIPMXAILUAM-UHFFFAOYSA-N	350.334	1.557	5	50	FDBA	
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	1149965	LGVDALYCOJLLOA-LLVKDONJSA-N	354.359	1.930	5	50	FDBA	
O=c1/c(=C/c2ccncc2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	1179632	GWWNOTQEAURFDG-NVNXTCNLSA-N	367.390	1.097	5	50	FDBA	
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C(=O)Nc2ccccc2[S@@]1=O	5739309	BJDABJDWAIZPSY-IYJVBRSBSA-N	373.346	1.231	5	50	FDBA	
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	229904116	RROXMKQYDIDXCF-GUYCJALGSA-N	358.354	1.204	5	50	FDBA	
O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4052487	XWNITNJXNUOIMR-HZPDHXFCSA-N	359.382	1.910	5	50	FDBA	
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C(=O)Nc2ccccc2[S@]1=O	100721898	BJDABJDWAIZPSY-PTFIGZPYSA-N	373.346	1.231	5	50	FDBA	
CCn1ncc(Br)c1C(=O)NCCn1cc([N+](=O)[O-])cn1	2781573	HEHYHYZBABPUTJ-UHFFFAOYSA-N	357.168	1.200	5	50	FDBA	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1	2761639	DGOHJUPRTHHVIF-UHFFFAOYSA-N	362.298	1.003	5	50	FDBA	
CS(=O)(=O)N(CC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1	1135220	WCAMFVRUPDUNIM-UHFFFAOYSA-N	353.356	1.270	5	50	FDBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1	4158832	AEPAHXCRCANHFP-UHFFFAOYSA-N	355.416	1.606	5	50	FDBA	
COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=N	100627308	VHVVLWMFLIQUMQ-GFCCVEGCSA-N	368.393	1.403	5	50	FDBA	
Cc1cccn2c(=O)c3cc(C(N)=S)c(=N)n(Cc4ccco4)c3nc12	100675153	MLNPJJPWHUHKAO-UHFFFAOYSA-N	365.418	1.713	5	50	FDBA	
CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C	12860184	TWAYPNVUQKMRST-UHFFFAOYSA-N	353.356	1.822	5	50	FDBA	
CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	35961611	RYAGVQAPTVCCBA-CYBMUJFWSA-N	365.342	1.890	5	50	FDBA	
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4983818	QWBYGWKDEOJXOU-ZDUSSCGKSA-N	367.427	1.502	5	50	FDBA	
Cc1sc2nc(C)n(NC(=O)c3nn(C)cc3[N+](=O)[O-])c(=O)c2c1C	2735428	DOVWCMWNSDRTIF-UHFFFAOYSA-N	362.371	1.409	5	50	FDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	100082470	HDGUXDXBVUDVSL-VUKUWZNJSA-N	371.349	1.349	5	50	FDBA	
O=[N+]([O-])c1ccc(NNS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	13896676	YALZXLWVLXSAQJ-UHFFFAOYSA-N	356.291	1.948	5	50	FDBA	
COC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	4614931	UIAITZOPIDXFJP-UHFFFAOYSA-N	358.372	1.321	5	50	FDBA	
CCOC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2C(=O)NN=C2C[C@]1(C)O	248318858	PGLOJNOMLZJZLP-FHIRATQRSA-N	361.354	1.114	5	50	FDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1	101325422	CTLRFYLARKOCDB-GREKMHCPSA-N	357.366	1.955	5	50	FDBA	
Cc1nn(C[C@H](C)C(=O)N2N=CC[C@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6921018	VESBHTANAUGEOL-MADCSZMMSA-N	363.296	1.513	5	50	FDBA	
Cc1nn(CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1Br	6413249	XCXCVDLEOSEEDK-UHFFFAOYSA-N	371.195	1.714	5	50	FDBA	
O=C1[C@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@H]1C=C[C@@]2(CO)O1	143014066	UXJGOYNFVIBXTM-ZAZJYDDPSA-N	350.714	1.054	5	50	FDBA	
O=[N+]([O-])c1cnc2ccc(NC[C@@]3(CO)C[C@H]3c3ccc(F)cc3)nn12	428652339	OBDUEMUKXIWKNB-SUMWQHHRSA-N	357.345	2.355	5	50	FDBA	
C[C@H](O)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1	225529287	LKRQAVARYLEUNF-VIFPVBQESA-N	358.192	1.387	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccn3)CC2)cc1	19853477	NRIVHGFRJQQYTP-UHFFFAOYSA-N	362.411	1.496	5	50	FDBA	
O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2noc(C(F)(F)F)n2)c1	225389996	PONNSDYXVHGCLR-UHFFFAOYSA-N	366.277	1.616	5	50	FDBA	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N	100318735	UUEJIXDWJXAMNI-UHFFFAOYSA-N	364.361	1.947	5	50	FDBA	
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	135542853	PKJMNYIEEJELSF-NSHDSACASA-N	372.341	1.928	5	50	FDBA	
Cc1c(COC(=O)[C@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3C=C[C@H]2C)cccc1[N+](=O)[O-]	230144706	PVAIHHIQTBZAQW-SUZRMVIJSA-N	372.377	2.000	5	50	FDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cccnc2)CC1	19842595	AJOPNLWZMJIPGL-UHFFFAOYSA-N	362.411	1.496	5	50	FDBA	
COc1nn([C@@H](C)C(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	5950534	MHLDSXWEAMJATC-WRWORJQWSA-N	365.268	1.220	5	50	FDBA	
COC[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1	193668582	WFVXZCLKWAINGQ-HUUCEWRRSA-N	354.794	1.783	5	50	FDBA	
O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1	103898738	YMEQXIDDMOCSPE-QQXRRDQMSA-N	361.741	1.700	5	50	FDBA	
CC(C)(CNc1sc(S(N)(=O)=O)cc1[N+](=O)[O-])CN1CCCC1	1875262302	NXZFIEJUBNGNTC-UHFFFAOYSA-N	362.477	1.838	5	50	FDBA	
COc1ccccc1CCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12371757	UGBRFNLKGINZPU-UHFFFAOYSA-N	372.341	1.204	5	50	FDBA	
O=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	2686391	KGDGPIKXAQPEMP-UHFFFAOYSA-N	358.310	1.663	5	50	FDBA	
COc1cccc(-n2ccc3nc4ccn(CCO)c(=O)c4cc3c2=O)c1	38828959	ZRLDSQFPTUULNK-UHFFFAOYSA-N	363.373	1.702	5	50	FDBA	biogenic
CCOC(=O)c1cnn(C)c1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	170609208	SKDPAAHYWXSCEF-UHFFFAOYSA-N	368.371	1.614	5	50	FDBA	
O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)c1ccco1	915831	SVAJHNUFWYCBSS-NTCAYCPXSA-N	371.349	1.818	5	50	FDBA	
O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1	3382287	CBFHKCOFOXJRIE-UHFFFAOYSA-N	359.338	1.551	5	50	FDBA	
O=C([C@@H]1CCCO1)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1	4685231	PWKBJOHLZMBOSG-AWEZNQCLSA-N	364.427	1.615	5	50	FDBA	
CCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21	100627716	AEEXQYRMTSWYJA-UHFFFAOYSA-N	363.377	1.672	5	50	FDBA	
O=C1NC(=O)[C@H]2[C@@H]1N(Cc1ccccc1)N[C@H]2c1cccc([N+](=O)[O-])c1	19169490	LBLBOKPVFMOUGK-PMPSAXMXSA-N	352.350	1.298	5	50	FDBA	
C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5	245204949	JVLBPIPGETUEET-WIXLDOGYSA-O	356.442	1.670	5	50	FDBA	fda
O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4052486	XWNITNJXNUOIMR-HOTGVXAUSA-N	359.382	1.910	5	50	FDBA	
COc1cccc(NCCS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-]	170598662	QZOZDNHHBXTAEE-RYUDHWBXSA-N	373.431	1.454	5	50	FDBA	
CS(=O)(=O)N(CC(=O)NCc1ccccn1)c1cccc([N+](=O)[O-])c1	1126346	RXCZIGFSEXIZTC-UHFFFAOYSA-N	364.383	1.072	5	50	FDBA	
CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	1178184	AMBYZWHYOKWRRU-UHFFFAOYSA-N	355.416	1.474	5	50	FDBA	
O=C(Nc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C(=O)Nc2ccccc2[S@@]1=O	100721903	BJDABJDWAIZPSY-RMKBEBRYSA-N	373.346	1.231	5	50	FDBA	
CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1cc([N+](=O)[O-])ccc1O	37062872	VXZXOMDZRJBUGH-LBPRGKRZSA-N	360.326	1.590	5	50	FDBA	
CN1C[C@H](C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CCC1=O	821810786	UOQHIHCJVIGHBR-SECBINFHSA-N	353.306	1.084	5	50	FDBA	
COC(=O)C1=NN(C(=O)c2ccccc2)[C@](O)(c2ccc([N+](=O)[O-])cc2)C1	854838	KFCSXTUVLWSKMA-GOSISDBHSA-N	369.333	1.815	5	50	FDBA	
Nc1nonc1-c1noc(-c2ccc(Cn3ccc([N+](=O)[O-])n3)cc2)n1	8955330	FVFBGOCFTQLEEB-UHFFFAOYSA-N	354.286	1.522	5	50	FDBA	
CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N=C1O	229994124	AFJFSADHJJZPFO-KBXCAEBGSA-N	372.381	1.799	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NN(Cc3ccccc3)[C@H]12	101942666	LBLBOKPVFMOUGK-OAGGEKHMSA-N	352.350	1.298	5	50	FDBA	
COC(=O)c1cc([N+](=O)[O-])c(N2CCCN([C@H](C)CO)CC2)cc1Cl	364958466	XOMPKNPJRVUDAP-LLVKDONJSA-N	371.821	1.928	5	50	FDBA	
O=C(NCCCO)/C(=C\c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1	1883138	OHTMOENGXMGQBK-DTQAZKPQSA-N	369.377	1.864	5	50	FDBA	
C=CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1	1875372207	ZWZOCBAPJAFOFM-UONOGXRCSA-N	361.402	1.379	5	50	FDBA	
CCOCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	2734729	MDZQQAHLWRWCBQ-UHFFFAOYSA-N	371.396	1.859	5	50	FDBA	
CC(C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCCC1=O	225528745	DVXXYNSXPASYFF-INIZCTEOSA-N	359.386	1.734	5	50	FDBA	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N1N=CC[C@@]1(O)C(F)(F)F	6828414	PBYFIZKXSMSDJK-SECBINFHSA-N	355.660	1.304	5	50	FDBA	
COc1cccc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)c1	12371571	BBOMLXREFYOOKV-UHFFFAOYSA-N	358.314	1.161	5	50	FDBA	
COc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1	2804104	MHBVAGREYHOMGB-UHFFFAOYSA-N	357.388	1.214	5	50	FDBA	
CCN1C(=O)[C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3N=CC=C[C@H]3[C@@H]2C1=O	254378105	BZWTZGOVCSUDMR-AJNGGQMLSA-N	368.349	1.007	5	50	FDBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	4046658	DPMKALPAHQCICO-UHFFFAOYSA-N	368.459	1.667	5	50	FDBA	
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4703616	HQIDEALMJLDRHC-UHFFFAOYSA-N	362.430	1.736	5	50	FDBA	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCO2	3899070	AEQUHEJNUQMIJC-UHFFFAOYSA-N	370.358	1.374	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ncccn2)CC1	4999195	RMPGPHQGSBDUJG-UHFFFAOYSA-N	374.426	1.912	5	50	FDBA	
O=C(NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1)c1cnc2cnccc2c1	1875252021	BTIDZLMWEQKXDI-OAHLLOKOSA-N	368.349	1.708	5	50	FDBA	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=N	100627877	RGNTTZJVXNNLLP-UHFFFAOYSA-N	356.382	1.260	5	50	FDBA	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ncccn2)CC1	2570808	QTVAGMHXNZFXGL-UHFFFAOYSA-N	358.314	1.255	5	50	FDBA	
CCN(CC(=O)O)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1	262951835	OSQLRGSBFJENAA-UHFFFAOYSA-N	365.386	1.371	5	50	FDBA	
CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	940019	DDSCVQOFIYLIRF-LBPRGKRZSA-N	372.337	1.366	5	50	FDBA	
COCCn1ccc2nc3ccn(C[C@@H]4CCCO4)c(=O)c3cc2c1=O	32072435	UVQUTBWGDZNSCP-ZDUSSCGKSA-N	355.394	1.537	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	6641546	BRSZBRGYKZNHFM-SNVBAGLBSA-N	357.388	1.214	5	50	FDBA	
CN([C@H]1c2ccccc2NC[C@@H]1O)S(=O)(=O)c1ccccc1[N+](=O)[O-]	725374535	OWYLDQMRSGIZSE-HOCLYGCPSA-N	363.395	1.743	5	50	FDBA	
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O	34805672	HMUVNDUXYVHYPO-ZDUSSCGKSA-N	365.342	1.889	5	50	FDBA	
NS(=O)(=O)c1ccc(NCc2nc(-c3ccco3)n[nH]2)c([N+](=O)[O-])c1	1875256163	SKAYWJGTBYLWLX-UHFFFAOYSA-N	364.343	1.232	5	50	FDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)c2ccccc2C1=O	951456	MVBQKEMDJXESSF-UHFFFAOYSA-N	355.306	1.838	5	50	FDBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)c1=N	100630607	KGVCBKOVRHSLRB-UHFFFAOYSA-N	369.425	1.476	5	50	FDBA	
COc1ccc(S(=O)(=O)NCCCO[C@H]2CCCCO2)cc1[N+](=O)[O-]	225547692	KDTYDYWPDOMBST-HNNXBMFYSA-N	374.415	1.815	5	50	FDBA	
CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)c([N+](=O)[O-])c1	955887	LLJQALYXNBXTRM-ZDUSSCGKSA-N	360.330	1.442	5	50	FDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1	6641543	MFUCLCLXAGIFFT-UHFFFAOYSA-N	357.388	1.214	5	50	FDBA	
O=C(CCn1cc([N+](=O)[O-])cn1)NCC1CCN(c2ncccn2)CC1	170607794	FYQZLYJXDRWDHA-UHFFFAOYSA-N	359.390	1.004	5	50	FDBA	
COC(=O)c1cc(C(=O)N[C@H](CC(C)C)C(=O)OC)cc([N+](=O)[O-])c1	1139946	DETMTXRRMFKQMP-CYBMUJFWSA-N	352.343	1.699	5	50	FDBA	
COC[C@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1	193668542	WFVXZCLKWAINGQ-GJZGRUSLSA-N	354.794	1.783	5	50	FDBA	
O=[N+]([O-])c1cnc2ccc(NC[C@]3(CO)C[C@@H]3c3ccc(F)cc3)nn12	428652337	OBDUEMUKXIWKNB-DYVFJYSZSA-N	357.345	2.355	5	50	FDBA	
COc1ccc(CCNC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1OC	4743136	WOODQDDSAGXOIZ-UHFFFAOYSA-N	362.386	1.948	5	50	FDBA	biogenic
NS(=O)(=O)c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1	5785924	GNWWWVXBXGNODI-UHFFFAOYSA-N	351.340	1.260	5	50	FDBA	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]12C(=O)Nc1ccccc12	4721896	GCFFRHQNRSWCGR-KRWDZBQOSA-N	352.306	1.940	5	50	FDBA	
Cc1nn(CC(=O)NCc2ccc(-n3cccn3)cc2)c(C)c1[N+](=O)[O-]	651489	KPODHMIQZCJGEW-UHFFFAOYSA-N	354.370	1.910	5	50	FDBA	
C[C@@H]1C[C@H](S(=O)(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1	295237514	ULYFXIQWIYNAJS-CZUORRHYSA-N	369.443	1.614	5	50	FDBA	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCC1)S(C)(=O)=O	5013300	ZXXPVISGIOSTOE-UHFFFAOYSA-N	355.416	1.728	5	50	FDBA	
C=CC(=O)N1CCC[C@@H](C(=O)N2CCOc3cc([N+](=O)[O-])ccc3C2)C1	2325888270	BFURFTQZTQTZQV-CQSZACIVSA-N	359.382	1.740	5	50	FDBA	
COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC(F)(F)[C@@H](CO)C1	291363103	POKODYHAVFCGKG-LLVKDONJSA-N	359.329	1.763	5	50	FDBA	
COC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccccc2)C1	1215172	HYNKFGHJPJVEKZ-GOSISDBHSA-N	369.333	1.815	5	50	FDBA	
CCCCCCC(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C	13544128	RGIOGDXWJBHLCU-CQSZACIVSA-O	370.403	1.701	5	50	FDBA	
O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	2928063	CAAYLJCAKBMQRF-UHFFFAOYSA-N	356.246	1.792	5	50	FDBA	
O=C(COc1ccccc1[N+](=O)[O-])N1N=C(C(F)F)C[C@@]1(O)C(F)F	653174	BBPYZHSQEMDTBG-CYBMUJFWSA-N	365.239	1.781	5	50	FDBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2ccccc2F)n1	4742730	KZJYGFLECBXMEA-UHFFFAOYSA-N	360.305	1.600	5	50	FDBA	
CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1	5065170	VYIFOJQEKVWYJN-UHFFFAOYSA-N	357.208	1.543	5	50	FDBA	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	36180249	GFJWIPGRJIVHFX-PKTIUJEHSA-N	352.324	1.898	5	50	FDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCNCC3)o2)cc1	725373722	VCOGOZJFBVFHCI-UHFFFAOYSA-N	353.360	1.246	5	50	FDBA	
COCCn1ccc2nc3ccn(Cc4cccnc4)c(=O)c3cc2c1=O	38829161	CACJZOOLEMBFJW-UHFFFAOYSA-N	362.389	1.801	5	50	FDBA	biogenic
O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	4194875	IGASKHCXJAEFRR-UHFFFAOYSA-N	365.367	1.335	5	50	FDBA	
CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCn2ncc(C(N)=O)c2C1	275428784	FEXPDQRLVQXXQZ-GFCCVEGCSA-N	373.413	1.641	5	50	FDBA	
COC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2ccco2)c1=N	100681297	PIJWOCZHSVVRII-UHFFFAOYSA-N	364.361	1.865	5	50	FDBA	
Cc1[nH]c(=NC[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](O)C3)C2)ccc1[N+](=O)[O-]	2325841281	MMAJPYCIQJYXLS-ZNMIVQPWSA-N	362.430	1.532	5	50	FDBA	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	36144754	HNDVCKWGZHHLID-LBPRGKRZSA-N	351.315	1.500	5	50	FDBA	
CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	842280	RWPZEPUIXXJECQ-CQSZACIVSA-N	363.326	1.857	5	50	FDBA	
O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)c([N+](=O)[O-])c1	254828923	YMEQXIDDMOCSPE-GYBADROVSA-N	361.741	1.700	5	50	FDBA	
COC(=O)COc1ccc([N+](=O)[O-])c(-n2cnc(C(F)(F)F)cc2=O)c1	261494823	JXOPFTPNEZUKAO-UHFFFAOYSA-N	373.243	1.711	5	50	FDBA	
O=C(C[C@@H](C(=O)O)n1cnc([N+](=O)[O-])n1)c1ccc(Br)cc1	818196	FIPWHTAFOMNGGL-VIFPVBQESA-N	369.131	1.848	5	50	FDBA	
CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=N	100627981	LGHWQNLBWMDPGW-UHFFFAOYSA-N	369.425	1.223	5	50	FDBA	
CC1CCC(N(C)C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1	253405687	OUDSWBKZQXAGAR-UHFFFAOYSA-N	355.416	1.893	5	50	FDBA	
COc1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)c([N+](=O)[O-])cc1OC	170614078	VSOLGQYBKBDUPW-JTQLQIEISA-N	372.399	1.261	5	50	FDBA	
O=C1NC(=O)[C@H]2[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NN2Cc1ccccc1	169304758	RFUQXKAMMYOFQW-GOEBONIOSA-N	350.334	1.456	5	50	FDBA	
O=C([C@H]1CCCCN1c1nc2ccccn2c1[N+](=O)[O-])N1CCOCC1	225442706	LWCSFTMTTKHIGW-CYBMUJFWSA-N	359.386	1.460	5	50	FDBA	
O=C(O)[C@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[C@H]2C=C[C@H]1C2	225630954	RVRXKNMUJNHZMO-MGBSGCIJSA-N	371.393	1.766	5	50	FDBA	
CC(C)OCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	2854001	IBEAWZPKATZIQY-UHFFFAOYSA-N	373.431	1.292	5	50	FDBA	
COCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1	2484440	NRNJRMUTJQTSSO-UHFFFAOYSA-N	354.344	1.862	5	50	FDBA	
Cc1nc(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n[nH]1	49942423	RJURCCSGNKOENL-UHFFFAOYSA-N	371.360	1.511	5	50	FDBA	
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(n3ccnn3)CC2)s1	125935363	APQOPMRSYCMNMJ-UHFFFAOYSA-N	357.417	1.493	5	50	FDBA	
Cc1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)c(=O)n(-c2ccccc2)n1C	1423170	OBLLYLITZUODKZ-GFCCVEGCSA-N	370.369	1.789	5	50	FDBA	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N1N=CC[C@]1(O)C(F)(F)F	6828416	PBYFIZKXSMSDJK-VIFPVBQESA-N	355.660	1.304	5	50	FDBA	
COc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c([N+](=O)[O-])c1	13388663	YIGBYRQHOYEJHO-UHFFFAOYSA-N	350.356	1.726	5	50	FDBA	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O	36180246	GFJWIPGRJIVHFX-KEXZDQNZSA-N	352.324	1.898	5	50	FDBA	
CCN1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC	4859582	AFNPLUMDSLEAPD-LBPRGKRZSA-N	350.419	1.884	5	50	FDBA	in-vitro
Cc1nn(C[C@H](C)c2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-]	2802205	JIKOJPDKUZLJAU-QMMMGPOBSA-N	355.362	1.536	5	50	FDBA	
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCCN1CCNCC1	4014700	SWIJIYFLAFOREA-UHFFFAOYSA-N	363.296	1.839	5	50	FDBA	
COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])nc2Br)cc1	1433047	ZBQZRSUVZCAACA-UHFFFAOYSA-N	356.136	1.596	5	50	FDBA	
O=C(O)CCN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O	852571	PDRBKYDHKLUUOT-UHFFFAOYSA-N	368.301	1.897	5	50	FDBA	
CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H]3CC[C@H](C2)O3)c([N+](=O)[O-])c1	374090865	GDBVERRORAHOHB-BETUJISGSA-N	369.443	1.993	5	50	FDBA	
CC(C)(C(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F)n1cc([N+](=O)[O-])cn1	6385817	NIDNUABKXVJIKU-LBPRGKRZSA-N	367.259	1.334	5	50	FDBA	
CN1CCN(CCCN2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)CC1	859734	WEQYVLCSNSTNAK-QGZVFWFLSA-N	364.471	1.806	5	50	FDBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(OC[C@H](O)C[n+]2ccccc2)c([N+](=O)[O-])c1	107399413	UTCWWUNRAZVPDS-LLVKDONJSA-N	365.278	1.139	5	50	FDBA	
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)[C@]2(O)[C@@H]1C(=O)Nc2ccccc21	5049168	PPOWNERZLJQTJI-KBXCAEBGSA-N	353.334	1.803	5	50	FDBA	
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1NCc1ccc2c(c1)OCO2	4828852	VIKRFDXJVGPOLM-UHFFFAOYSA-N	355.310	1.755	5	50	FDBA	
NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	898121	PIGMORZXKPDGMR-UHFFFAOYSA-N	369.786	1.826	5	50	FDBA	
Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	2991005	FQAZKQDIHLWWJG-UHFFFAOYSA-N	363.395	1.612	5	50	FDBA	
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	2807964	IQJBCFUIPKUSTI-SECBINFHSA-N	361.807	1.858	5	50	FDBA	
CCOC(=O)c1csc([C@H]2CCCN2c2ncc([N+](=O)[O-])c(N)n2)n1	170611268	WAVAQOBNXQNGBZ-SECBINFHSA-N	364.387	1.942	5	50	FDBA	
O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCCCN1CCOCC1	19792477	BHBGCWPAOYWEBC-UHFFFAOYSA-N	350.419	1.566	5	50	FDBA	
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2ccco2)CC1	754070	CJZULHCZNLKCKX-UHFFFAOYSA-N	373.321	1.484	5	50	FDBA	
O=C(COc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	886024576	IQYNEXXDTVDKHD-KGLIPLIRSA-N	369.377	1.781	5	50	FDBA	
CCc1[nH]nc(C(=O)NCc2ccccc2CN2CCOCC2)c1[N+](=O)[O-]	171368487	RZQBGKUFHTYNMS-UHFFFAOYSA-N	373.413	1.643	5	50	FDBA	
COCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	2991775	BSPFUVLICWUWDA-UHFFFAOYSA-N	357.369	1.469	5	50	FDBA	
O=C1CCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	4012563	FSMQBDIQAFIJKA-UHFFFAOYSA-N	353.400	1.896	5	50	FDBA	
Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)n1C	225468261	KKYGSUUMTFSIKU-VIFPVBQESA-N	362.321	1.162	5	50	FDBA	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	844411	RIVDJBDQNBRMOQ-ZFWWWQNUSA-N	361.354	1.945	5	50	FDBA	biogenic
O=C(NCCCO)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	1820986	KNGAHOKNLDYUGP-GHRIWEEISA-N	369.377	1.864	5	50	FDBA	
O=C(OCC(COC(=O)c1ccccc1)([N+](=O)[O-])[N+](=O)[O-])c1ccccc1	19321220	IOAMWYOVFDNNNW-UHFFFAOYSA-N	374.305	1.950	5	50	FDBA	
CCOC(=O)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC	1680728	OTQQWHKIMACEHP-ZDUSSCGKSA-N	352.343	1.600	5	50	FDBA	
CCCOC(=O)C(C(=O)OCCC)[C@H](C(N)=O)c1ccccc1[N+](=O)[O-]	3081001	XHUFJAJKDUDDQM-CYBMUJFWSA-N	366.370	1.686	5	50	FDBA	
CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1	35839530	MTZHBAGXNWIUHY-ZDUSSCGKSA-N	367.383	1.835	5	50	FDBA	
CCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc21	100627730	GVNICLWLGFSBGH-LBPRGKRZSA-N	367.409	1.057	5	50	FDBA	
Cc1nn(C)cc1CN(C)C(=O)Cn1cc(Br)c([N+](=O)[O-])n1	4724427	IQJKOKOEWJUQIA-UHFFFAOYSA-N	371.195	1.254	5	50	FDBA	
CN1CCN(CCCN2C(=O)CS[C@H]2c2cccc([N+](=O)[O-])c2)CC1	859736	WEQYVLCSNSTNAK-KRWDZBQOSA-N	364.471	1.806	5	50	FDBA	
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	2807965	IQJBCFUIPKUSTI-VIFPVBQESA-N	361.807	1.858	5	50	FDBA	
O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(CCO)CC1	19848895	ZERBKAMMOMJOHG-UHFFFAOYSA-N	352.390	1.696	5	50	FDBA	
Cn1ncc([N+](=O)[O-])c1C(=O)NCCCn1cc(Br)cn1	2778462	LTIYCPOLNHKDJH-UHFFFAOYSA-N	357.168	1.107	5	50	FDBA	
Cc1[nH]nc(C(=O)O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1[N+](=O)[O-]	170594517	VFQVOAZEARUWCR-SECBINFHSA-N	373.325	1.157	5	50	FDBA	
O=C(NCc1ncccc1O)c1cccc([N+](=O)[O-])c1N1CCOCC1	225410045	DRKISTZWNXMGLJ-UHFFFAOYSA-N	358.354	1.462	5	50	FDBA	
COc1cc(CN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OC	19537452	QJIZRBLBVWZJBQ-UHFFFAOYSA-N	359.386	1.724	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)NN2Cc1ccccc1	138565963	BXRVAWQWSBMDNP-XHSDSOJGSA-N	352.350	1.298	5	50	FDBA	
Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	135542874	PKJMNYIEEJELSF-LLVKDONJSA-N	372.341	1.928	5	50	FDBA	
O=C1CC[C@@H](NC(=O)c2cc3c(ccc4ccccc43)oc2=O)C(=O)N1	1857797845	AFEZZXHOTHCTAN-CQSZACIVSA-N	350.330	1.481	5	50	FDBA	
COC(=O)c1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	4359019	GDFJFQZBSMNWLZ-UHFFFAOYSA-N	361.335	1.942	5	50	FDBA	
COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	4174082	RQQTYCHSAXKDLI-UHFFFAOYSA-N	366.351	1.811	5	50	FDBA	
CCOC(=O)Cc1csc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)n1	2805133	DQRGRCYDDSAWJI-UHFFFAOYSA-N	367.387	1.691	5	50	FDBA	
O=C1NC(=O)[C@@H]2[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)NN2Cc1ccccc1	19171640	LBLBOKPVFMOUGK-XHSDSOJGSA-N	352.350	1.298	5	50	FDBA	
COc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	2930539	BKQQIUXVLCCIAR-UHFFFAOYSA-N	351.340	1.503	5	50	FDBA	
O=c1c2cc3c(=O)n(CCc4ccccc4)ccc3nc2ccn1CCO	38829177	OJVKZFLPIPQVSK-UHFFFAOYSA-N	361.401	1.946	5	50	FDBA	
CCc1cc2c(=O)n(NC(=O)c3nn(C)cc3[N+](=O)[O-])c(C)nc2s1	2781053	BYYKHYCAQCTWRA-UHFFFAOYSA-N	362.371	1.354	5	50	FDBA	
Cc1cnc([N+](=O)[O-])n1CCOC(=O)NC(=O)c1c(F)cccc1F	1424291	LIZUDPHDUYQGSX-UHFFFAOYSA-N	354.269	1.945	5	50	FDBA	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(c2n[nH]c(=O)o2)CC1	252503724	VGGWSKNSUJDRHJ-UHFFFAOYSA-N	368.371	1.148	5	50	FDBA	
NS(=O)(=O)c1ccc(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	1116383	ABSOICWCEXQVOW-UHFFFAOYSA-N	369.786	1.826	5	50	FDBA	
C[C@@H]1C=Nc2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3c(=O)c21	22078752	HRSYFWLXXMTVDY-QKNMJKLUSA-N	354.347	1.392	5	50	FDBA	
COC(=O)COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	5065575	KNGZQCIQJXVPRE-UHFFFAOYSA-N	366.351	1.947	5	50	FDBA	
CC(C)C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(N)=O	754128	KLFIEJXZFBVZRT-SNVBAGLBSA-N	358.192	1.987	5	50	FDBA	
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1[N+](=O)[O-]	8767343	DAGRMUMXRPZWRG-UHFFFAOYSA-N	368.323	1.808	5	50	FDBA	
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)[C@@]2(O)[C@H]1C(=O)Nc2ccccc21	101015897	PPOWNERZLJQTJI-KDOFPFPSSA-N	353.334	1.803	5	50	FDBA	
O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1O	2368128	VKHQVPZWXOWOOL-UHFFFAOYSA-N	355.306	1.925	5	50	FDBA	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	1060032	LMFRIRMAEBKYDN-UKRRQHHQSA-N	361.354	1.945	5	50	FDBA	
Cc1[nH]c(=NC[C@@H]2C[C@H](C(=O)N3CC(C4CCC4)C3)CO2)ccc1[N+](=O)[O-]	2332237662	GPQHUGHFFFJTNE-HOCLYGCPSA-N	374.441	1.796	5	50	FDBA	
Cc1c(COC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(C)C(=O)[C@H]32)cccc1[N+](=O)[O-]	252679665	PVAIHHIQTBZAQW-UCDYDWOKSA-N	372.377	2.000	5	50	FDBA	
CCOC(=O)c1cnc([S@](C)=O)nc1OCc1ccc([N+](=O)[O-])cc1	44127002	IKJUPIOMTYIQGH-RUZDIDTESA-N	365.367	1.878	5	50	FDBA	
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN2CCOC[C@H]2C1	170594823	MJMCXKIZXNXCCL-MRXNPFEDSA-N	374.441	1.742	5	50	FDBA	
C[C@@]1(C(=O)O)CCN(C(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	262113573	FNQDHIBLGZCGCY-OAHLLOKOSA-N	367.383	1.109	5	50	FDBA	
O=[N+]([O-])c1ccc(OC[C@@H](O)CNC[C@@H]2COc3ccccc3O2)cc1	2501624	FCFAYBLAXKAHDB-GOEBONIOSA-N	360.366	1.764	5	50	FDBA	
COC(=O)c1cc([N+](=O)[O-])cn(Cc2cnn(-c3ccccc3)c2)c1=O	225501113	GEBMDPXNTWPWLF-UHFFFAOYSA-N	354.322	1.777	5	50	FDBA	
C[N@+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	261506650	QVVOZYKELHAIPX-FRNBUXIHSA-N	358.458	1.843	5	50	FDBA	investigational
O=C(N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1	1208369	QAIHMGGRVMYJOR-ROUUACIJSA-N	367.361	1.967	5	50	FDBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3n3nnnc23)c1	9636211	AHSHXLWISAPSDC-UHFFFAOYSA-N	371.338	1.382	5	50	FDBA	
O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2sccn12	6866592	UECWYNAUYDSNPR-UHFFFAOYSA-N	371.422	1.986	5	50	FDBA	
C[C@@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1	1834757	IPAMMJRDXUHXKX-SSDOTTSWSA-N	364.387	1.110	5	50	FDBA	
CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4711789	CNJDIMRFMMIMRR-UHFFFAOYSA-N	362.430	1.880	5	50	FDBA	
O=C(CO)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1	485409546	INAXTWSEOLGHOA-UHFFFAOYSA-N	360.345	1.437	5	50	FDBA	
CCCCCC(=O)OC[C@@H](O)CO[P@](=O)(O)OCC[N+](C)(C)C	13507210	WDNDPXJAUNUOFK-CYBMUJFWSA-O	356.376	1.311	5	50	FDBA	in-man
Cn1ncnc1[C@@H]1COCCN1c1ncc([N+](=O)[O-])cc1Br	253419405	OCAHTEODFFXOLC-JTQLQIEISA-N	369.179	1.459	5	50	FDBA	
COc1cc([N+](=O)[O-])cc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12	2884806	JOXXFRQTWOZOGK-UHFFFAOYSA-N	362.338	1.961	5	50	FDBA	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1	4263286	UHTFJDZDTLUWCV-LLVKDONJSA-N	372.399	1.567	5	50	FDBA	
C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN2C(=O)NC[C@H]2C1	230170304	LGXPTVMXCXQGIZ-GWCFXTLKSA-N	358.358	1.415	5	50	FDBA