smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1C[C@@H]1c1ccccc1	1218066	SHSAPKUWCJFHBR-CVEARBPZSA-N	365.414	4.461	5	50	FIBA	
CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	5064906	HHVPMDHTKZMEHL-QGZVFWFLSA-N	357.797	4.336	5	50	FIBA	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1	5677807	CTQBELMBUMZNKC-UHFFFAOYSA-N	370.670	4.068	5	50	FIBA	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)Cc1ccccc1-2	1208340	AFNCFFCNJIJAPK-UHFFFAOYSA-N	360.369	4.184	5	50	FIBA	
O=[N+]([O-])c1cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c([N+](=O)[O-])c1	3880480	OUYHIKZDMWDTTL-UHFFFAOYSA-N	362.651	4.314	5	50	FIBA	
CCN(CC)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	1183802	VANAQDDXGPYXQM-UHFFFAOYSA-N	353.378	4.440	5	50	FIBA	
O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12	1172016	YFJXLLCMAVPRLR-UHFFFAOYSA-N	372.384	4.250	5	50	FIBA	aggregator
CC(=O)Nc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1	5065300	HTLGVECLQMUDDJ-UHFFFAOYSA-N	354.391	4.420	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@H]1CC1(c1ccccc1)c1ccccc1	5092007	QHUQDMDYAONQLP-GOSISDBHSA-N	374.396	4.245	5	50	FIBA	
CC(C)Cc1ccc2c(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)sc2n1	22023114	DECQZHNOGGSWBL-UHFFFAOYSA-N	355.419	4.216	5	50	FIBA	
O=C(COc1ccc2ccccc2c1)Nc1cc([N+](=O)[O-])ccc1Cl	1216971	UTISSBLZAGLYEJ-UHFFFAOYSA-N	356.765	4.419	5	50	FIBA	
O=[N+]([O-])c1cccc([C@@H]2N=C(c3ccccc3)N=C(c3ccccc3)N2)c1	837142	CZPZAPQBQXNVDZ-UHFFFAOYSA-N	356.385	4.090	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3131523	OQZWRVMSOHTCME-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1	4267757	KGIQKKZYZJTEHB-PXNSSMCTSA-N	361.357	4.430	5	50	FIBA	
O=[N+]([O-])c1cccc(Br)c1OC(C(F)(F)F)C(F)(F)F	169725451	YXVWOXCNVWVLOR-UHFFFAOYSA-N	368.027	4.229	5	50	FIBA	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1	4701812	WLNYAAYPQINWQK-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
Cc1c(C(=O)NCCSCc2cccc(Cl)c2)cccc1[N+](=O)[O-]	2845433	ZACMWTKZPBGOJW-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
COc1ccc(NC(=O)COc2cc(C)ccc2C(C)(C)C)c([N+](=O)[O-])c1	3957272	MWHDITYSJTXYGQ-UHFFFAOYSA-N	372.421	4.227	5	50	FIBA	
COc1cc2c(cc1OC)C1(CCCC1)CN=C2c1cccc([N+](=O)[O-])c1	820030	BUNUBBKGLQNODP-UHFFFAOYSA-N	366.417	4.275	5	50	FIBA	
Cc1occc1C(=O)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1	2760187	CPHSBKHARUSVEQ-UHFFFAOYSA-N	355.375	4.295	5	50	FIBA	
O=C(OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Cl	1122438	ZUWLBNAVDIXAAC-UHFFFAOYSA-N	370.586	4.368	5	50	FIBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1	1189574	BHZSDSCTAJJBJY-UHFFFAOYSA-N	360.369	4.387	5	50	FIBA	
O=Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Br)cc1	2597790	SACVZRJLXWGYEN-UHFFFAOYSA-N	372.178	4.023	5	50	FIBA	
O=C(NCCSCc1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1	2813482	BECQBQDSGJSBAB-UHFFFAOYSA-N	368.817	4.051	5	50	FIBA	
O=c1c([N+](=O)[O-])cc(C(F)(F)F)cn1Cc1ccc(Cl)c(Cl)c1	1391181	JHGYZOOYCMEQPQ-UHFFFAOYSA-N	367.110	4.130	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2ccccc12	4550413	GXPUVKBWHUKCMD-UHFFFAOYSA-N	365.414	4.183	5	50	FIBA	
Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cn3)o2)c1	6793194	BXNOODCJDHMWIN-UHFFFAOYSA-N	367.361	4.031	5	50	FIBA	
O=[N+]([O-])c1ccc(CN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)cc1	253428098	IEMSPSPSVHSUIY-KRWDZBQOSA-N	356.813	4.462	5	50	FIBA	
CC(=O)Nc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1[N+](=O)[O-]	4567080	UDIPXZSEEQLFGD-UHFFFAOYSA-N	362.210	4.041	5	50	FIBA	
O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1	2289946	LPJKJIMUMAFSEI-UHFFFAOYSA-N	358.357	4.162	5	50	FIBA	
Cc1ccccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O	850633	XKUKGXXNKRVVAV-UHFFFAOYSA-N	374.352	4.496	5	50	FIBA	
O=C(c1ccccc1)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	3878820	YFNVXXGRRGPBNJ-UHFFFAOYSA-N	363.329	4.478	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1O)[C@@H]1CC1(c1ccccc1)c1ccccc1	5092010	QHUQDMDYAONQLP-SFHVURJKSA-N	374.396	4.245	5	50	FIBA	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccco2)cc1	4872834	BPLMPORDYFMMQH-UHFFFAOYSA-N	351.362	4.361	5	50	FIBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)c1cc(Br)ccc1F	4542193	UVIBNVGJKNGXEI-UHFFFAOYSA-N	353.147	4.057	5	50	FIBA	
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	4828563	UWYUGKDEBITLMJ-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	
NC(=O)c1ccc(N[C@H]2CCc3c(Cl)cc(Cl)cc32)c([N+](=O)[O-])c1	2325828516	JHMYHGZUVBNVHU-ZDUSSCGKSA-N	366.204	4.100	5	50	FIBA	
Cc1ccc(CN2CC[C@@H](CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1	328593479	AOUWOKICYYNHKK-SJORKVTESA-N	373.522	4.480	5	50	FIBA	
COc1cc(F)c([N+](=O)[O-])c(Nc2cnn([C@@H](C)c3ccccc3)c2)c1	2325826974	QXYGQOLRXFJCFO-LBPRGKRZSA-N	356.357	4.292	5	50	FIBA	
COc1ccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)cc1OC	5065143	SIJCFTKVMQMPTQ-UHFFFAOYSA-N	357.391	4.479	5	50	FIBA	
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1	170621587	BXBHRQQRQDXYNT-QGZVFWFLSA-N	359.813	4.223	5	50	FIBA	
Cc1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1Cl	19959402	DVHUPGHLECHNHH-UHFFFAOYSA-N	360.804	4.148	5	50	FIBA	
O=[N+]([O-])c1ccccc1NCCNc1ncc(C(F)(F)F)cc1Cl	20366025	IBIFWURDGNEUJG-UHFFFAOYSA-N	360.723	4.186	5	50	FIBA	
Cc1c(O)ccc2c1oc1c(-c3ccc(C(=O)O)cc3)c3cn[nH]c3nc12	218393828	FJERWVQUCYUJSF-UHFFFAOYSA-N	359.341	4.237	5	50	FIBA	
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl	5010037	LARFCMWUOUJDMT-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
COc1cccc(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc23)c1	2826588	HYPBVAHKWKTGEV-UHFFFAOYSA-N	360.365	4.217	5	50	FIBA	
O=C(Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1Cl	1216407	DKDOCSFWPDNCIO-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=C(/N=c1\[nH]c2ccc([N+](=O)[O-])cc2s1)c1ccc(Cl)c(Cl)c1	9111568	ZFCTUXXFLBZLSJ-UHFFFAOYSA-N	368.201	4.186	5	50	FIBA	
C[C@H](N[C@H]1CCO[C@H]1c1ccccc1)[C@H](C)Cc1ccccc1[N+](=O)[O-]	252523270	CFPOJLGOGLPIRB-DFPKUZHUSA-N	354.450	4.282	5	50	FIBA	
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1	862856	XIIFNCQIGMYIJC-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccccc1[N+](=O)[O-]	1068933	ACLFBOUOWXSAOG-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
CCn1c(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc2ccccc21	1168320	ZBWOGXYNGWDHAZ-UHFFFAOYSA-N	353.407	4.133	5	50	FIBA	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1CC[N+](=O)[O-]	1403013	HOTVWLWOUXZZDJ-UHFFFAOYSA-N	353.300	4.169	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1[C@H](c2ccccc2)C1(Cl)Cl	4380028	SNUJUBZGPVSLGU-UONOGXRCSA-N	351.189	4.121	5	50	FIBA	
CC(=O)Oc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1	5064713	OVZSCSMTECBGEP-UHFFFAOYSA-N	355.375	4.387	5	50	FIBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1	677809	SLPIRBDAKZGVMI-UHFFFAOYSA-N	369.402	4.139	5	50	FIBA	
O=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3123008	GACMPRFEXAKBBH-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
Cc1c(C(=O)NCCSCc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	2064350	DPLJHQUMEDBERP-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl	3024301	WTLWQMMSLUJMKH-UHFFFAOYSA-N	360.782	4.019	5	50	FIBA	
Cc1cc(Cl)ccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	5123708	QRMZHMOSHFOFLE-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
Cc1nn(CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1[N+](=O)[O-]	2889986	LOZRDGPGLLKIKB-UHFFFAOYSA-N	371.224	4.134	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccs2)c1)c1cccs1	4322422	BBAOZJNAOZOBIL-UHFFFAOYSA-N	373.415	4.222	5	50	FIBA	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	5041588	SSMYMWCIYFTGKA-ZDUSSCGKSA-N	358.394	4.134	5	50	FIBA	
CCOC(=O)c1ccc2nc(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1	952840	DBRJUHNHBARXEX-UHFFFAOYSA-N	351.362	4.372	5	50	FIBA	
COc1ccc2c(c1)c(=O)oc1cc(OC(=O)C3CCCCC3)ccc12	1154949	UNRHLQSGWNLTFI-UHFFFAOYSA-N	352.386	4.441	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1	2227769	ZDDMKNPZDUPWKE-UHFFFAOYSA-N	357.782	4.081	5	50	FIBA	
CC(C)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	2830556	PDZJYMOWNGIABP-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	
Cc1nn(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(N)c1-c1ccccc1	4694205	VZTPWZBCBGYUHB-UHFFFAOYSA-N	362.311	4.357	5	50	FIBA	
O=C(O)[C@H]1CCCC[C@@H]1N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O	44069114	IIJKRPVAVXANME-PXNSSMCTSA-N	373.408	4.232	5	50	FIBA	in-vitro
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C	152877663	MBUPYPHQVINHTG-LBPRGKRZSA-N	362.455	4.020	5	50	FIBA	
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C	1092562	RZUHGAKUNBFQJS-UHFFFAOYSA-N	353.418	4.020	5	50	FIBA	biogenic,in-vitro
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1	737449258	OUIXOZMCGPDCLE-HUUCEWRRSA-N	355.463	4.478	5	50	FIBA	
CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1N	652379	IBGBQSUIRPCAOX-UHFFFAOYSA-N	354.453	4.317	5	50	FIBA	
O=[N+]([O-])c1ccc(Cc2noc(COc3ccc4ccccc4c3)n2)cc1	1205856	BHNHDDPVLOUTLG-UHFFFAOYSA-N	361.357	4.301	5	50	FIBA	
CC[C@@H](c1ccccc1)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3137227	RSIJYVSTXMBUDE-YVEFUNNKSA-N	358.350	4.242	5	50	FIBA	
O=[N+]([O-])c1cc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)ccc1Cl	2029922	FUBOXIBYUZMFBI-UHFFFAOYSA-N	353.121	4.353	5	50	FIBA	
CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	1174668	HKYUNRLRCICHAN-GFCCVEGCSA-N	357.435	4.235	5	50	FIBA	
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1ccccc1	957051	MLLWLMRVFGCMIX-UHFFFAOYSA-N	371.336	4.449	5	50	FIBA	
CCc1sc(NC(=O)Cc2ccccc2[N+](=O)[O-])nc1-c1ccccc1	1134320	HMEJQXOTAXCHFL-UHFFFAOYSA-N	367.430	4.462	5	50	FIBA	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1	2880087	DOBSRCPRQNMDBL-UHFFFAOYSA-N	370.586	4.368	5	50	FIBA	
O=c1oc(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12	4695746	LYHFJLDBRJKNBU-QPJJXVBHSA-N	373.162	4.029	5	50	FIBA	
O=C(CSCc1c(F)cccc1Cl)Nc1cccc([N+](=O)[O-])c1	3016881	YWOQIYGNFXBABF-UHFFFAOYSA-N	354.790	4.259	5	50	FIBA	
COc1cc2ccc3c4c(c(OC)c(OC)c3c2cc1OC)CN(C)CC4	263584729	UJKNQHOSCAPFAE-UHFFFAOYSA-N	367.445	4.015	5	50	FIBA	biogenic
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1	1121123	POZBAUPHTZGCRM-UHFFFAOYSA-N	358.703	4.448	5	50	FIBA	
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccco2)c1	4983958	BOOMBKNGYVDDGB-UHFFFAOYSA-N	351.362	4.361	5	50	FIBA	
COc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1[N+](=O)[O-]	5041693	IIHSMMYKDAHETB-UHFFFAOYSA-N	355.778	4.205	5	50	FIBA	
Cc1sc(-c2ccccc2[N+](=O)[O-])nc1-c1ccc2c(c1)NC(=O)CO2	170650342	AVWGAWMPXZSJJB-UHFFFAOYSA-N	367.386	4.025	5	50	FIBA	
COc1c(Cl)cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl	5102491	SQCJSIKFPUGCNX-UHFFFAOYSA-N	359.140	4.302	5	50	FIBA	
CCOC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1	170605419	UGZGKCVXZUGJHX-GHRIWEEISA-N	364.357	4.354	5	50	FIBA	
CN(C)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	328593950	CSGYJGVECKNZCT-UHFFFAOYSA-N	354.193	4.220	5	50	FIBA	
Cc1cc2oc(=O)c3c(c2cc1OCc1ccc([N+](=O)[O-])cc1)CCCC3	1050218	VGXPWGTWCRTVHT-UHFFFAOYSA-N	365.385	4.467	5	50	FIBA	
CC(C)Oc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	4857586	NSMYYPOVPXWKMW-UHFFFAOYSA-N	360.435	4.254	5	50	FIBA	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1ccccc1	711889	SDQWJRYIMHJAOE-UHFFFAOYSA-N	363.338	4.040	5	50	FIBA	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	1218690	GVVAAYRMUUFBCF-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1Nc1ccccc1F	5905058	JBJBREIRDUITQT-UHFFFAOYSA-N	355.325	4.202	5	50	FIBA	
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1	737449252	OUIXOZMCGPDCLE-CABCVRRESA-N	355.463	4.478	5	50	FIBA	
O=C(CSc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1	1137958	SWXZOUTUYTVJNK-UHFFFAOYSA-N	356.325	4.344	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1	4834620	OWWILGRUOFFWPR-UHFFFAOYSA-N	364.785	4.053	5	50	FIBA	
C[C@H](N[C@H]1CCO[C@@H]1c1ccccc1)[C@H](C)Cc1ccccc1[N+](=O)[O-]	252523271	CFPOJLGOGLPIRB-KPYYAMLLSA-N	354.450	4.282	5	50	FIBA	
CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	4771227	FJXOKZOEVGZUBS-UHFFFAOYSA-N	363.757	4.069	5	50	FIBA	
O=[N+]([O-])c1cccc(-c2nc3ccncc3nc2-c2cccc([N+](=O)[O-])c2)c1	2029464	MWSROCXTIBDHGR-UHFFFAOYSA-N	373.328	4.175	5	50	FIBA	
Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1[N+](=O)[O-]	994032	WTWCAGDDDRPKHV-UHFFFAOYSA-N	357.366	4.418	5	50	FIBA	
Cc1cc(C)cc(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)c1	668840	QYMIUOVRNNPABI-UHFFFAOYSA-N	368.311	4.405	5	50	FIBA	
O=C(COC(=O)c1ccccc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	669889	NLVOTPVDVGQPRE-UHFFFAOYSA-N	361.353	4.302	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1COc1cc(C)cc2oc(=O)c(C)c(C)c12	1165079	APEJPARGFBJWRR-UHFFFAOYSA-N	369.373	4.214	5	50	FIBA	
CCc1ccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1	4359641	VXHVEVGBGGJVGA-UHFFFAOYSA-N	355.438	4.248	5	50	FIBA	
CCCCOC(=O)c1ccc(OC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	4799733	PMCJGWFLMAONFG-UHFFFAOYSA-N	372.377	4.471	5	50	FIBA	
Cc1ccc(F)c(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)c1	2763984	NWBOSZBDKSWZKV-UHFFFAOYSA-N	370.336	4.467	5	50	FIBA	
O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1ccc([N+](=O)[O-])cc1	2792379	WDJZPNAOZNTUPY-UHFFFAOYSA-N	365.317	4.058	5	50	FIBA	
COc1c(OC(C)=O)ccc(/C=C/c2ccc3ccccc3n2)c1[N+](=O)[O-]	5065397	AVTXTXIGYBYJGB-DHZHZOJOSA-N	364.357	4.247	5	50	FIBA	
COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	669893	SKPDPUBZFCOZHU-UHFFFAOYSA-N	352.799	4.231	5	50	FIBA	
CC(C)C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	1117575	ZLSIULKYQPBWRW-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	
C[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1	1141281	OAVCUXMUGMYPEE-VIFPVBQESA-N	367.174	4.239	5	50	FIBA	
COc1cccc2c1oc(=O)c1c(N)nc3c(c12)C[C@H](C(C)(C)C)CC3	2841736	GTDSPNPQXFBICR-LLVKDONJSA-N	352.434	4.083	5	50	FIBA	
O=[N+]([O-])c1ccc(Oc2ccc(/C=C3\SC(=S)N=C3O)cc2)nc1	15723664	DPSAGOHGVAVHML-GHXNOFRVSA-N	359.388	4.111	5	50	FIBA	
COc1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	4773927	ZLGSAJXFSIFRFC-UHFFFAOYSA-N	367.814	4.074	5	50	FIBA	
CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	3137117	HQTXOJDWQSXEIR-YVEFUNNKSA-N	358.350	4.242	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1	5749400	OAMTWYQMAJTWTL-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
Cc1cccc(NC(=O)COc2c(Cl)cc(Cl)cc2[N+](=O)[O-])c1	1054370	BTLXJSVWIFKTQY-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Br	1230612	HPMDJKGTSRPPJO-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
COc1ccc(OC)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	6714904	ZDRUOIWAOICWRU-UHFFFAOYSA-N	356.385	4.344	5	50	FIBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Br	1230616	AHTFCMSAJLFJAM-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1	4474229	FXGPCBBKKILAEJ-UHFFFAOYSA-N	368.220	4.134	5	50	FIBA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-]	4701746	BQQIOCARRUEVTI-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
Cc1c(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cccc1[N+](=O)[O-]	5068377	YPQOIXFWCVJBIU-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
COc1ccc(N(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C2CC2)cc1	4952583	MPINOIGRFOHECS-CYBMUJFWSA-N	355.394	4.440	5	50	FIBA	
Cc1cc(NCc2cc3c(cc2[N+](=O)[O-])OCO3)ccc1Br	2534569	OBMAZRSHBBGUQZ-UHFFFAOYSA-N	365.183	4.007	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)c1ccc(Cl)s1	13745099	XUAHZXYKMFIKRW-QMMMGPOBSA-N	355.803	4.201	5	50	FIBA	
COc1ccc(-c2nnc(Sc3ccc(C(C)=O)cc3[N+](=O)[O-])o2)cc1	867252	RRIBSMKBKJTQKP-UHFFFAOYSA-N	371.374	4.007	5	50	FIBA	
CC(=O)Oc1ccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)cc1	5065203	KJTULBDUXLRBOG-UHFFFAOYSA-N	355.375	4.387	5	50	FIBA	
COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)CCCC2	2991769	HQPISNKHVVKNHD-UHFFFAOYSA-N	360.797	4.388	5	50	FIBA	
O=c1cc(CNc2cnn(CC(F)(F)F)c2)c2c(ccc3ccccc32)o1	126261195	FWTUVKOOIRDMES-UHFFFAOYSA-N	373.334	4.317	5	50	FIBA	
Cc1cccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c1C	5063610	MVIWGWZLWJJJDP-UHFFFAOYSA-N	371.418	4.466	5	50	FIBA	
O=C(Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1)c1ccccc1F	1197985	VKBJNDJZGKFRTF-UHFFFAOYSA-N	353.309	4.174	5	50	FIBA	
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	1166212	QGUQVKGOESIWNN-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
Cc1nn(CCCC(=O)Nc2cccc(Cl)c2Cl)c(C)c1[N+](=O)[O-]	1428855	IYWUFSLUSGJBDL-UHFFFAOYSA-N	371.224	4.134	5	50	FIBA	
C[N@+]12CCCC[C@H]1[C@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2	239433510	XUNGHYMVYCTHPS-ZCVJKFOLSA-N	356.530	4.451	5	50	FIBA	
O=C(Cn1nnc2ccccc21)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	1167263	GVICKBUZKVEDOF-UHFFFAOYSA-N	374.356	4.015	5	50	FIBA	
COc1ccc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1	957029	LOHMFZAOSKERPY-UHFFFAOYSA-N	360.416	4.188	5	50	FIBA	
C[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])cc1	1141282	OAVCUXMUGMYPEE-SECBINFHSA-N	367.174	4.239	5	50	FIBA	
CCSc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1	4811054	MJYUVWXTPZBNMR-UHFFFAOYSA-N	373.221	4.056	5	50	FIBA	
O=C(Nc1ccc(F)c(F)c1)c1ccc(COc2ccccc2[N+](=O)[O-])o1	2763276	WZWFCFCZYQYGNO-UHFFFAOYSA-N	374.299	4.297	5	50	FIBA	
COc1cc2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2cc1Cl	2860911	VMFWRXWZZQWRHZ-UHFFFAOYSA-N	363.782	4.119	5	50	FIBA	
O=[N+]([O-])c1cccc(-c2c(-c3ccccc3)cnc3[n+]2CCCS3)c1	5738599	JJDJLVBLCFPLIC-UHFFFAOYSA-N	350.423	4.107	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1	245296043	JSAHWRWJVNYPMA-XKCSPQBFSA-N	360.518	4.287	5	50	FIBA	biogenic
CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C	1530668	JTPUMZTWMWIVPA-UHFFFAOYSA-O	353.530	4.112	5	50	FIBA	world
O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2cccc(Cl)c2)CC1	55543723	UIAMWJZJTJQJOJ-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc3ccccc23)c([N+](=O)[O-])c1	104217605	RLSORERMWKODJH-UHFFFAOYSA-N	354.278	4.308	5	50	FIBA	
CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)sc2c1	752662	RJNWLSBKNUBUQD-UHFFFAOYSA-N	357.391	4.164	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc3ccccc3c2)c1	6244326	JEIWEWVFRJCYTG-UHFFFAOYSA-N	363.778	4.169	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1c(F)cccc1Cl	657374	FWPGPNCTEBNWAC-SOFGYWHQSA-N	350.733	4.048	5	50	FIBA	
COC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccco3)c2c1N	2765037	FWEBCIFVPBISII-UHFFFAOYSA-N	364.404	4.064	5	50	FIBA	
CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[nH]c(=O)c23)C1	2815044	SWSKVCVASIXBCS-SECBINFHSA-N	373.434	4.304	5	50	FIBA	
O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1cccc([N+](=O)[O-])c1	4659460	KOYKZPMQUVBAHZ-BUHFOSPRSA-N	369.380	4.464	5	50	FIBA	
O=Cc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	1154982	NVCUKOXWFUQGJS-UHFFFAOYSA-N	363.325	4.419	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1cccc(C)c1C	4368153	JJIZDGZCIQYPEF-UHFFFAOYSA-N	358.394	4.018	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1Br)c1cccc([N+](=O)[O-])c1	1110916	FCNKVAGTQAPSPI-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
O=c1cc(-c2cccc([N+](=O)[O-])c2)nc(-c2ccc(Br)cc2)o1	1179644	YKKCESGJWXZFDH-UHFFFAOYSA-N	373.162	4.040	5	50	FIBA	
O=C(CSc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1	4977951	HNBNJOYUGJFUCJ-UHFFFAOYSA-N	367.224	4.088	5	50	FIBA	
Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccc([N+](=O)[O-])o2)no1	1047677	XJRMRPRKJMVWEI-UHFFFAOYSA-N	354.347	4.337	5	50	FIBA	
CCCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	2829799	MMSKCMWIXKHMNB-UHFFFAOYSA-N	355.394	4.284	5	50	FIBA	
Cc1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)ccc1[N+](=O)[O-]	1166322	PNZXTQUVZKOKCL-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
Cc1cc(C(=O)OCc2ccccc2Br)ccc1[N+](=O)[O-]	1066778	VBMAZRPBSJNGFZ-UHFFFAOYSA-N	350.168	4.023	5	50	FIBA	
Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	4371986	ZHMMRTFUUBTCSU-UHFFFAOYSA-N	374.340	4.249	5	50	FIBA	
O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccccc1[N+](=O)[O-]	3893798	YFMUIJSWDDJFSN-UHFFFAOYSA-N	358.357	4.162	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Br	4695570	YOUXMRQMKOPJDI-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
Cc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-]	1124234	SPQOHAZKOIEJNS-UHFFFAOYSA-N	360.167	4.383	5	50	FIBA	
CCOc1ccc([C@@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC	1069661	BCJAUPOXJFTTNG-IBGZPJMESA-N	371.389	4.244	5	50	FIBA	
COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2)c([N+](=O)[O-])c1	4042154	DAZCLEYVUSKLHF-UHFFFAOYSA-N	364.785	4.055	5	50	FIBA	
O=C1S/C(=C/C=C/c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1	5008570	JFQFXQJPASRHRQ-LLPGWTFISA-N	352.371	4.392	5	50	FIBA	
COc1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	1778306	LOHUCJBGRKBMBD-UHFFFAOYSA-N	364.785	4.055	5	50	FIBA	
Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C	152877797	MBUPYPHQVINHTG-GFCCVEGCSA-N	362.455	4.020	5	50	FIBA	
CC(C)(C)c1csc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)n1	5496987	AOQTWJAZXNSCEF-UHFFFAOYSA-N	369.830	4.020	5	50	FIBA	
C[C@@H]1CCc2c(sc3nc4c5ccccc5c(Cl)nn4c(=O)c23)C1	628129	KVBBNGUBITWBFT-SECBINFHSA-N	355.850	4.236	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-]	1165996	GXPHQYPBFVANAT-UHFFFAOYSA-N	369.421	4.236	5	50	FIBA	
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1	1137270	OVZWFMRGFBBVED-LGMDPLHJSA-N	368.414	4.264	5	50	FIBA	
O=C(Nc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1F	1753522	YYQOYLWBMMXKLK-UHFFFAOYSA-N	354.135	4.140	5	50	FIBA	
O=C(NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl	4616508	ZIIOGIVHUZLUQC-UHFFFAOYSA-N	368.220	4.134	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	5065680	YCHPRZWLAGHABR-CYBMUJFWSA-N	372.421	4.307	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[C@@H]1c1ccccc1	4012001	SPIPIEFLKJJENW-CHWSQXEVSA-N	361.195	4.100	5	50	FIBA	
CCOc1ccc(C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1	4978683	VKPWRLLPHCXUPV-OAHLLOKOSA-N	368.433	4.461	5	50	FIBA	
O=[N+]([O-])c1c(NCc2ccccc2)cc(N2CCCCCC2)c2nonc12	4020622	LHXCHJBELZGSBZ-UHFFFAOYSA-N	367.409	4.124	5	50	FIBA	
Cc1nc2ccccn2c1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1	4095155	JKWXCBQOBBCQOE-UHFFFAOYSA-N	351.391	4.418	5	50	FIBA	
O=C(OCC(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl	1120512	UKQXFRDKAWLVPK-UHFFFAOYSA-N	369.760	4.441	5	50	FIBA	
O=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	1171493	SEKQAMAKJONIEW-UHFFFAOYSA-N	370.586	4.402	5	50	FIBA	
Cc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O	4427089	FNLGVNAYYXFOBC-ZRDIBKRKSA-N	373.368	4.366	5	50	FIBA	
O=C(CSc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1	1085078	ODBMXEBYOYGOQA-UHFFFAOYSA-N	367.224	4.088	5	50	FIBA	
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	672387	XNHZHEAESKWFOH-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc12	1178039	INLQFXXVDIIXPD-UHFFFAOYSA-N	369.377	4.014	5	50	FIBA	
O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1	1226317	RSUBAKMTUMHFEN-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(C2CCCCC2)s1	1115216	HREDOTBGXYDFQH-MDZDMXLPSA-N	358.423	4.146	5	50	FIBA	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1Cc1ccccc1	1148727	VSRRCNZDFAZABC-UHFFFAOYSA-N	374.352	4.183	5	50	FIBA	
O=C(Oc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1	1119203	LKLUTFIVLYHSDD-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1	4701811	WLNYAAYPQINWQK-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
O=[N+]([O-])c1ccc(Cn2c([C@@H](O)c3ccccc3)nc3ccccc32)cc1	1178309	HOKDYEIDDZEJMD-FQEVSTJZSA-N	359.385	4.075	5	50	FIBA	
Cc1nn(C(=O)c2cccs2)c(C)c1Sc1ccccc1[N+](=O)[O-]	1184971	GIJVBOOWZYGTTN-UHFFFAOYSA-N	359.432	4.309	5	50	FIBA	
COc1ccc(/C=C(\C)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F	182942609	AWUUXMYIUSOEEX-SRXBQZRASA-N	358.369	4.023	5	50	FIBA	
CC[N@+]1(C)CC[C@H]2[C@H](C1)c1cc(C)ccc1N2C(=O)c1ccc(F)cc1	239415422	UKTJWLZFSWIRMU-FZOAFFARSA-N	353.461	4.117	5	50	FIBA	
COc1cc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)cc1Cl	834094	KVNJGTLKUIKLTE-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
Cc1ccc(C(=O)c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)c(C)c1	1164274	PJDVIMRVESTEJC-UHFFFAOYSA-N	367.430	4.327	5	50	FIBA	
Cc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1[N+](=O)[O-]	1210290	HIFAPUICKHUTOZ-UHFFFAOYSA-N	360.369	4.387	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1cc(C)cc(C)c1	1148165	MDUIXFYYKZGNEG-UHFFFAOYSA-N	360.435	4.092	5	50	FIBA	
CC[C@@H](C)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	1189877	PSHCGBYLEJCZPP-GFCCVEGCSA-N	358.394	4.378	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccccc2)cs1	822409	BGASUNKGMBETEB-MDZDMXLPSA-N	351.387	4.370	5	50	FIBA	
O=[N+]([O-])c1cc(Cl)ccc1NCCCOc1nonc1-c1ccccc1	5667255	YMWLSZDHOGTAJC-UHFFFAOYSA-N	374.784	4.179	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCC12CC3CC(CC(C3)C1)C2	4981382	JJPQZTAIDKZGFK-SNAWJCMRSA-N	354.450	4.331	5	50	FIBA	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1	1188867	FTZMDSZSOUBLDW-UHFFFAOYSA-N	362.385	4.355	5	50	FIBA	
O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	5715167	CNTBTZNBKYZJKZ-OQLLNIDSSA-N	374.805	4.485	5	50	FIBA	
Cc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)no2)cc1	4808541	UKWWJKWOTVIJHE-UHFFFAOYSA-N	357.753	4.464	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)cc1	4980209	QFAJUWFQSSWZCY-UHFFFAOYSA-N	363.417	4.177	5	50	FIBA	
CN(C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)c1ccccc1	5064937	MCHIJBLEOSLYBF-UHFFFAOYSA-N	353.422	4.252	5	50	FIBA	
O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccccc1[N+](=O)[O-]	841529	YSIYVXCWESOXGD-UHFFFAOYSA-N	360.329	4.050	5	50	FIBA	
CC1(C)C(=O)[C@](C)(Cc2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccccc1	1140369	GMFJDUUARUYJBW-UWJYYQICSA-N	367.401	4.037	5	50	FIBA	
Cc1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1C	1300906	YVZJDLNZYCFBRI-UHFFFAOYSA-N	369.406	4.374	5	50	FIBA	
Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	5682117	RVPRPPMPSADYRE-UHFFFAOYSA-N	360.369	4.387	5	50	FIBA	
CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	1140654	ZZHXMXLRJGNABB-UHFFFAOYSA-N	361.785	4.157	5	50	FIBA	
Cc1cc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl	2627647	GTOUTOSCCUPYPP-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
Cc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1	1423683	LHYPUEODUAQJSJ-UHFFFAOYSA-N	355.781	4.035	5	50	FIBA	
C[C@H](NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1	999933	DJMHZERGVMIASV-AWEZNQCLSA-N	366.373	4.258	5	50	FIBA	
Cc1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1	4999108	SQPRKMVWFJCENG-UHFFFAOYSA-N	366.240	4.475	5	50	FIBA	
Cc1ccc(NC(=O)CSc2nc3ccccc3s2)c([N+](=O)[O-])c1	5035132	NRXJBIMWFVCWQV-UHFFFAOYSA-N	359.432	4.244	5	50	FIBA	
Cc1cc(Cl)ccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	1170311	TYOBHRPDMWKORU-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
CCOc1ccc(C(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1	4978682	VKPWRLLPHCXUPV-HNNXBMFYSA-N	368.433	4.461	5	50	FIBA	
Cc1ccc([C@@H](C)OC(=O)Cc2cc(F)c(F)cc2F)cc1[N+](=O)[O-]	225487324	FGECAICROILLEH-SNVBAGLBSA-N	353.296	4.167	5	50	FIBA	
O=C(Nc1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1	5715195	LLTVNOLEMYHWPU-UHFFFAOYSA-N	351.156	4.106	5	50	FIBA	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	4706901	DUHYFNACAKIKBD-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
Cc1ccc(C)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])c1	5101520	DOOAWJXMYXGVLE-UHFFFAOYSA-N	374.340	4.249	5	50	FIBA	
O=C(Nc1ccc(F)cc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	1385554	DLRAQEGZGAUTTK-UHFFFAOYSA-N	361.329	4.249	5	50	FIBA	
O=[N+]([O-])c1ccc(O)c(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)c1	15885238	QJAVBEBOJYWTSB-UHFFFAOYSA-N	361.279	4.443	5	50	FIBA	
Cc1cccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1	2669177	AJVKIFSBGYYECM-UHFFFAOYSA-N	353.403	4.203	5	50	FIBA	
Cn1c(SC/C=C/c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1	5077766	GKEOGFKBGRLCNT-VMPITWQZSA-N	352.419	4.196	5	50	FIBA	
O=C(COc1ccccc1)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1	752050	RXSHJERZLSDWMI-UHFFFAOYSA-N	362.385	4.207	5	50	FIBA	
Cc1sc(NC(=O)Cc2ccccc2[N+](=O)[O-])nc1-c1ccccc1	4749840	VYKKCHVSRSFZEW-UHFFFAOYSA-N	353.403	4.208	5	50	FIBA	
O=C(Oc1c([N+](=O)[O-])cc2c(c1Br)CCCC2)c1ccco1	1114613	ATCJWMSBJHJCOW-UHFFFAOYSA-N	366.167	4.048	5	50	FIBA	
CCCCc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	2064355	IABCDAVDBRITKH-UHFFFAOYSA-N	357.435	4.064	5	50	FIBA	
C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12	2568268	RUUPGHVIODHXRI-LBPRGKRZSA-N	365.345	4.147	5	50	FIBA	
O=C(CSc1nc2ccccc2s1)Nc1ccc(F)c([N+](=O)[O-])c1	1057914	GQORCTHQZBLDAT-UHFFFAOYSA-N	363.395	4.074	5	50	FIBA	
Cc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-]	1154713	SMYZNVXARWZAQF-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=C(Nc1nnc(CC2CCCC2)s1)c1cc([N+](=O)[O-])ccc1Cl	2789182	VAEVYXLSCGCLEK-UHFFFAOYSA-N	366.830	4.085	5	50	FIBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F	3515326	LKMXLVFQRVBPRC-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
COc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1Cl	2978448	LQCBFYTVOTUDPV-UHFFFAOYSA-N	366.826	4.129	5	50	FIBA	
COc1ccc(C(=O)OCC=C=CSc2ccc([N+](=O)[O-])cc2)cc1	1845099	FIGRAIGFYVBAMI-UHFFFAOYSA-N	357.387	4.221	5	50	FIBA	
Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Br	2982473	SUIFEBMYBNEMPP-VMPITWQZSA-N	361.195	4.318	5	50	FIBA	
Cc1ccc(NC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	4799777	MYONJNQCVSJQEM-UHFFFAOYSA-N	351.156	4.277	5	50	FIBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(Br)ccc1Cl	1172709	GLSOYMZUGDPXTC-UHFFFAOYSA-N	373.565	4.402	5	50	FIBA	
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl	4702153	ZQCSNXGDDQHPDB-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	
CC(=O)Nc1c2ccc([N+](=O)[O-])cc2n2c(C)nc3ccc(Cl)cc3c12	2941367	QMDRQKDSWNEDFI-UHFFFAOYSA-N	368.780	4.469	5	50	FIBA	
C[C@@H]1CCCc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21	3132678	JOFWYRBHLQSHOM-LLVKDONJSA-N	356.334	4.162	5	50	FIBA	
COc1ccc(C(=O)Cc2cc3c(ccc4ccccc43)oc2=O)c(OC)c1	1049662	HYRFBXVYNYKTGW-UHFFFAOYSA-N	374.392	4.389	5	50	FIBA	
Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-]	1111484	BNYKBELGYWXMSJ-UHFFFAOYSA-N	353.422	4.141	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1	104206375	LIGZGKCSTQNUKY-UHFFFAOYSA-N	373.108	4.462	5	50	FIBA	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	1115192	HMFHXRLSEKUCKN-JTQLQIEISA-N	352.749	4.102	5	50	FIBA	
O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	1217836	WASWNIDZLCSRJA-UHFFFAOYSA-N	369.602	4.192	5	50	FIBA	
Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3F)o2)c([N+](=O)[O-])c1	1001932	IGUILNUOOAKSOD-UHFFFAOYSA-N	370.336	4.467	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	4846144	CQULHFACDOIVSR-UHFFFAOYSA-N	360.797	4.458	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1c(F)cccc1Cl	4903550	LHTHVBXEUYIXCB-SOFGYWHQSA-N	350.733	4.048	5	50	FIBA	
O=C(Nc1ccccc1Br)c1ccc(Cl)c([N+](=O)[O-])c1	1227123	PDKNULDICXHHQW-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(N)c1-c1cccc(C(F)(F)F)c1	2511808	LBDPUEXMHWLHKB-UHFFFAOYSA-N	362.311	4.357	5	50	FIBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl	2946974	SRRZSUWLGLOLJE-KBPBESRZSA-N	351.189	4.121	5	50	FIBA	
CC[C@@H](c1ccccc1)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3137225	RSIJYVSTXMBUDE-SJKOYZFVSA-N	358.350	4.242	5	50	FIBA	
CC(=O)Nc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])cc1	241693977	QJLFIUVQIYWONJ-UHFFFAOYSA-N	368.176	4.112	5	50	FIBA	
Cc1ccc(-n2c(Cc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1	1139250	DCRSSDKFVACVNX-UHFFFAOYSA-N	371.396	4.193	5	50	FIBA	
Cc1cc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(C)c1Cl	1312636	CKOMVDDHXRSZPH-UHFFFAOYSA-N	359.769	4.494	5	50	FIBA	
CONC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	790932270	XLSFMZGTYQBCBP-UHFFFAOYSA-N	372.324	4.056	5	50	FIBA	
C[C@H]1CN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C[C@H](C)O1	4978449	QQDRSIQCAIGZCS-STQMWFEESA-N	374.824	4.093	5	50	FIBA	
Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4122595	CGULKNVMAHVHEI-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
CCCCCC[C@H]1C[C@@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4828793	GNYOSEKMPAJYLZ-PBHICJAKSA-N	362.426	4.216	5	50	FIBA	aggregator
CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1	1122768	QWZHTUZEPFQGKC-QGZVFWFLSA-N	357.797	4.336	5	50	FIBA	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1c[nH]c2ccccc12	2549955	QWMLCMHYQXWUGZ-SOFGYWHQSA-N	369.808	4.102	5	50	FIBA	
COc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl	5073157	BWRBDTLNNLHZRR-UHFFFAOYSA-N	355.177	4.471	5	50	FIBA	
CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1	4701387	VOLUMPQECOHXQN-UHFFFAOYSA-N	354.406	4.215	5	50	FIBA	
Oc1ccc2c(c1)oc1c(C3=Cc4ccccc4OC3)c3cn[nH]c3nc12	217904353	GUQPGZKJKCVWRU-UHFFFAOYSA-N	355.353	4.496	5	50	FIBA	biogenic
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nnc(C2CCCCC2)s1	1124281	AXXXKGSSJDXQEQ-ZHACJKMWSA-N	358.423	4.146	5	50	FIBA	
COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C	4842817	UVGYAZHGXWIMNH-UHFFFAOYSA-N	355.177	4.471	5	50	FIBA	
O=C(c1cc(Cl)c2ccccc2n1)N1CCCc2c1cccc2[N+](=O)[O-]	328600357	XKHBTZZSPSKFAX-UHFFFAOYSA-N	367.792	4.389	5	50	FIBA	
COc1ccc(Cl)cc1NC(=S)Nc1cccc([N+](=O)[O-])c1C	2857621	WTMYOCIUNIWWKS-UHFFFAOYSA-N	351.815	4.374	5	50	FIBA	
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl	2979867	VKRVSHOUMMBCLQ-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
COC(=O)c1ccccc1Sc1ccc(Br)cc1[N+](=O)[O-]	3080858	PURVFLCEBBKHBK-UHFFFAOYSA-N	368.208	4.295	5	50	FIBA	
COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1	2853413	SEGZDNCHVARDOF-UHFFFAOYSA-N	369.402	4.288	5	50	FIBA	
O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1CC12CC3CC(CC(C3)C1)C2	4006748	FJSQRPPWFLZTBS-KSVHXXFXSA-N	372.490	4.385	5	50	FIBA	
O=c1c([N+](=O)[O-])cc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl	1396507	LTYDTUSBEKFFJD-UHFFFAOYSA-N	367.110	4.130	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Br)o3)o2)c(Cl)c1	1231711	MRKMFVALWZJKCA-UHFFFAOYSA-N	370.546	4.321	5	50	FIBA	
O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1	1220877	NVIKUASIFALPMM-UHFFFAOYSA-N	357.366	4.034	5	50	FIBA	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4799760	PFRXQSPVXFZIRX-UHFFFAOYSA-N	364.745	4.417	5	50	FIBA	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Nc1ccccc1	3832834	BBFRYSKTTHYWQZ-UHFFFAOYSA-N	369.402	4.139	5	50	FIBA	in-vitro
Cc1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1C	1233136	XGSJNCMQROCFQH-UHFFFAOYSA-N	350.168	4.193	5	50	FIBA	
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)cc1	986039	DXFPQDKJCUIDQK-UHFFFAOYSA-N	357.369	4.269	5	50	FIBA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	1218691	GVVAAYRMUUFBCF-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])Oc1nonc1-c1ccccc1	4018554	RSNLEHIDYSGPSG-NSHDSACASA-N	374.784	4.178	5	50	FIBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Cl)cc1	4689060	AMEKAECYSGVDGH-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Br	4689078	PWKWZLYPGAAEIS-UHFFFAOYSA-N	365.183	4.008	5	50	FIBA	
O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc([N+](=O)[O-])cc1	1231028	ATMMBGZGDDJYHH-UHFFFAOYSA-N	361.309	4.074	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[C@H]1c1ccccc1	4012000	SPIPIEFLKJJENW-QWHCGFSZSA-N	361.195	4.100	5	50	FIBA	
CCCCCC[C@@H]1C[C@@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4828792	GNYOSEKMPAJYLZ-RHSMWYFYSA-N	362.426	4.216	5	50	FIBA	aggregator
COc1cc(OC)c(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl	1140789	ZQYIOJGXLUBGQC-SNVBAGLBSA-N	364.785	4.008	5	50	FIBA	
COc1cc([N+](=O)[O-])cc2c1NC(c1ccc(Cl)cc1Cl)=NO2	3878809	RYEKTXILZRTBDW-UHFFFAOYSA-N	354.149	4.076	5	50	FIBA	
CCCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	1771283	GGIGSGMKVKGGLU-UHFFFAOYSA-N	362.769	4.067	5	50	FIBA	
O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1Cl	5049648	NUZBTILHBGOJEY-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=C(Nc1ccc(Br)c2cccnc12)c1ccccc1[N+](=O)[O-]	1164435	LOMHARLWVXZICE-UHFFFAOYSA-N	372.178	4.158	5	50	FIBA	
CCCCOc1ccc(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])cc1	3897113	FIYKHIUOYAUDQF-UHFFFAOYSA-N	358.394	4.425	5	50	FIBA	
O=C(c1ccccc1)c1ccc(COC(=O)c2ccccc2[N+](=O)[O-])cc1	1074808	SFYGFAZISJVSGC-UHFFFAOYSA-N	361.353	4.183	5	50	FIBA	
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc([N+](=O)[O-])ccc1F	1184130	YAHYZTGARUMQSP-UHFFFAOYSA-N	373.167	4.367	5	50	FIBA	
CN(C1=NC(=O)S/C1=C\c1cccc([N+](=O)[O-])c1)c1ccc(O)cc1	22184899	PNBOLQHZPSMGSW-GDNBJRDFSA-N	355.375	4.043	5	50	FIBA	
O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1	1056510	OKLKSSLLZWPQBG-UHFFFAOYSA-N	358.357	4.162	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1	1121731	AFZMAEGCPDXGLC-UHFFFAOYSA-N	364.785	4.053	5	50	FIBA	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1	5253400	APNCBMYTNABWDE-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1[N+](=O)[O-]	1113264	RHILGQCTJOGNMA-UHFFFAOYSA-N	369.421	4.092	5	50	FIBA	
Cc1nnc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccc(Cl)cc1	1145045	ZLLHUKLRCRTOSD-UHFFFAOYSA-N	360.826	4.430	5	50	FIBA	
COc1ccc(OC)c(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c1	7066083	WZMCHDFKAZNQPX-UHFFFAOYSA-N	374.396	4.335	5	50	FIBA	
Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCCC2)ccc1[N+](=O)[O-]	1078989	MMMGPKRFIZEZGF-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
CCOC(=O)c1c(C)oc2ccc(OCc3cccc([N+](=O)[O-])c3)cc12	947172	CKZUEOZGIVWEFS-UHFFFAOYSA-N	355.346	4.405	5	50	FIBA	biogenic
O=C(Nc1cc(Cl)cc(Cl)c1)N1CCc2cc([N+](=O)[O-])ccc21	1875389533	RNPVKOSLYTWKIJ-UHFFFAOYSA-N	352.177	4.496	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2ccc(CN3CCC(N4CCCCC4)CC3)o2)cc1	23279910	PWNYYHNNJFSYMU-UHFFFAOYSA-N	369.465	4.305	5	50	FIBA	
CC(C)(C)c1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1	1069087	FTDVWTGWEPPLOB-UHFFFAOYSA-N	367.357	4.218	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)ccc1C(C)(C)C	3957271	KDPOTDXZDWHBBV-UHFFFAOYSA-N	372.421	4.227	5	50	FIBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2ccccc2)cc1	1621421	DHVUUGGSLWTYLB-UHFFFAOYSA-N	355.371	4.030	5	50	FIBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl	2946979	SRRZSUWLGLOLJE-ZIAGYGMSSA-N	351.189	4.121	5	50	FIBA	
COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC	6043592	NWUCKYNQRPGJKV-UHFFFAOYSA-N	356.385	4.344	5	50	FIBA	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1	826213	KMMICFAFSPSNAI-UHFFFAOYSA-N	358.825	4.343	5	50	FIBA	
CC[N+]1(CCOc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1	4566346	OFNRTTAIOBYROE-UHFFFAOYSA-N	370.557	4.400	5	50	FIBA	
CCc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccccc2[N+](=O)[O-])cc1	17073591	NITWFZRGGGGCCN-CQSZACIVSA-N	356.422	4.192	5	50	FIBA	
Cc1cc(NC(=O)c2cc(-c3cccc(F)c3F)on2)cc([N+](=O)[O-])c1	2325862174	LTMSMNGMCICMQC-UHFFFAOYSA-N	359.288	4.089	5	50	FIBA	
C[N+](C)([O-])CCO[C@@H](c1ccccc1)c1ccc(Br)cc1	104121368	IUEDGADEVAFNHF-KRWDZBQOSA-N	350.256	4.129	5	50	FIBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1	723685	MZLYZOJBDQATDR-UHFFFAOYSA-N	358.703	4.448	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1	104225863	NOKWYTXDQDBJGT-UHFFFAOYSA-N	373.108	4.462	5	50	FIBA	
CCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	3002537	DGJQBWLICVOVAF-UHFFFAOYSA-N	356.378	4.112	5	50	FIBA	
COc1ccccc1Nc1nc(NC2CCCCC2)nc(C)c1[N+](=O)[O-]	3880437	HYNUVVUDJMVMLA-UHFFFAOYSA-N	357.414	4.190	5	50	FIBA	
COc1ccc(Br)cc1CNc1ccc([N+](=O)[O-])cc1C	4309318	ZMCOVXGPTAAFRX-UHFFFAOYSA-N	351.200	4.286	5	50	FIBA	
O=C(O)c1cc2c(cc1[N+](=O)[O-])Oc1ccc(Br)cc1C=C2	4727569	BLBKLTMNJFCBOO-UHFFFAOYSA-N	362.135	4.332	5	50	FIBA	
O=C(OCc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	1117942	VHQMYBBCTXWVDE-UHFFFAOYSA-N	370.586	4.368	5	50	FIBA	
CCCCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4696322	AOANAJQDFAOJNG-UHFFFAOYSA-N	355.394	4.284	5	50	FIBA	
Cc1ccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1C	4181127	MHNGOEOPQMIYKD-UHFFFAOYSA-N	355.438	4.303	5	50	FIBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)cc1	1852395	ZLTLAVRTAGPPLR-UHFFFAOYSA-N	361.419	4.410	5	50	FIBA	
O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	5102673	CECOASBYGXMCSP-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)c1	1176488	KGIQKKZYZJTEHB-YLJYHZDGSA-N	361.357	4.430	5	50	FIBA	
COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(O)c([N+](=O)[O-])c1	36253034	UFBIFZZYGWFFSD-VQHVLOKHSA-N	352.346	4.036	5	50	FIBA	
CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1)SCc1ccc(F)cc1	1403535	GKXZLWHXYHTMIX-UHFFFAOYSA-N	362.426	4.176	5	50	FIBA	
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	4680232	HTWZALGEGDRPDL-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	
O=C(c1c2ccccc2cc2ccccc12)N1CCO[C@H](C(F)(F)F)C1	71730207	PJOGTDOWIBXEOJ-KRWDZBQOSA-N	359.347	4.396	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1	1158602	UAUPKEGGWQMACY-UHFFFAOYSA-N	372.377	4.202	5	50	FIBA	
COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC	1189395	GXADXYDZAUYMKL-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1	1230462	RVLFDOVWEDSNTJ-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=C(Nc1ccc(O)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	894474	AGKCASJKRSIWPE-UHFFFAOYSA-N	350.330	4.345	5	50	FIBA	
CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc(C)c1C	1175937	IKWUXQQZULATDG-JXMROGBWSA-N	374.418	4.102	5	50	FIBA	
Cc1ccc(CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	1134338	DJLFOEZIFPEVDM-YBEGLDIGSA-N	354.387	4.140	5	50	FIBA	
Nc1c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1	3086177	BZODREYYRQCPPD-UHFFFAOYSA-N	371.396	4.207	5	50	FIBA	
C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	3893050	UMUMUFGTAGWRHA-OAHLLOKOSA-N	365.433	4.177	5	50	FIBA	
COc1ccc(N(C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C2CC2)cc1	4952579	MPINOIGRFOHECS-ZDUSSCGKSA-N	355.394	4.440	5	50	FIBA	
Cc1ccc(C(=O)NCc2cc(-c3ccccc3Cl)on2)cc1[N+](=O)[O-]	2325869258	FJUOZGPZFNNSNI-UHFFFAOYSA-N	371.780	4.142	5	50	FIBA	
O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1ccc([N+](=O)[O-])cc1	977265	BZVDUYWSSNZKNI-UHFFFAOYSA-N	358.357	4.390	5	50	FIBA	
O=C(Cc1c(F)cccc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1	1049068	QPZYFMYSLVTUFO-UHFFFAOYSA-N	365.773	4.178	5	50	FIBA	
O=C(c1c2ccccc2cc2ccccc12)N1CCO[C@@H](C(F)(F)F)C1	71730208	PJOGTDOWIBXEOJ-QGZVFWFLSA-N	359.347	4.396	5	50	FIBA	
CN(Cc1ccc(Br)c([N+](=O)[O-])c1)Cc1ccccc1F	157795947	PVDLYISNKKZJMD-UHFFFAOYSA-N	353.191	4.128	5	50	FIBA	
COc1cccc(NC(=O)c2sc(C)nc2-c2ccc([N+](=O)[O-])cc2)c1	959162	SCRPQNPEGLBCOZ-UHFFFAOYSA-N	369.402	4.288	5	50	FIBA	
CCc1cc(=O)oc2c(C)c(OCc3cc([N+](=O)[O-])ccc3OC)ccc12	1167146	WFRGATKWTIUGSC-UHFFFAOYSA-N	369.373	4.160	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCOc1ccc(Cl)cc1	4181093	NDWUCCKQJBLNTD-UHFFFAOYSA-N	361.829	4.339	5	50	FIBA	
O=C(/C=C/c1cc(Br)cs1)Nc1ccccc1[N+](=O)[O-]	4506026	CAUGLQOFVPTEOI-AATRIKPKSA-N	353.197	4.071	5	50	FIBA	
COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	4799083	CTTVFOFQZUUVHJ-UHFFFAOYSA-N	366.171	4.010	5	50	FIBA	
O=[N+]([O-])c1cccc(-c2nc(NCc3cccnc3)c3ccccc3n2)c1	4872534	ZPCRNZDYLDIRRL-UHFFFAOYSA-N	357.373	4.212	5	50	FIBA	
O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Br	169725346	BEPHURZYSCGACR-UHFFFAOYSA-N	368.027	4.229	5	50	FIBA	
O=C(OCc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Cl	1122353	CXCWXJGIKUBERR-UHFFFAOYSA-N	370.586	4.368	5	50	FIBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(F)(F)F	1170321	MZGQMLQRZHECPY-UHFFFAOYSA-N	358.703	4.448	5	50	FIBA	
O=C(NCCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1	4695967	CMVLJCCIDYAZKN-UHFFFAOYSA-N	368.220	4.134	5	50	FIBA	
CCc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1	2836348	RACRQULIQSEHAV-UHFFFAOYSA-N	350.168	4.139	5	50	FIBA	
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2	239433509	XUNGHYMVYCTHPS-XZDHIHRUSA-N	356.530	4.451	5	50	FIBA	
CC(C)OC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21	2882902	MKGBWMDGEIWIPP-UHFFFAOYSA-N	353.809	4.343	5	50	FIBA	
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2[N+](=O)[O-])c1	2836771	JGDREOWSSMLAJQ-UHFFFAOYSA-N	361.785	4.239	5	50	FIBA	
C[C@H]1CCCc2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21	3132677	JOFWYRBHLQSHOM-NSHDSACASA-N	356.334	4.162	5	50	FIBA	
O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1[N+](=O)[O-]	657391	FSMLYNPVKJCJNX-UHFFFAOYSA-N	359.596	4.485	5	50	FIBA	
CCCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])ccc3OC)ccc12	1177317	YSNOXNTZBHKGQB-UHFFFAOYSA-N	369.373	4.241	5	50	FIBA	
COc1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1	4455747	WQWNBRGPIFQDJL-UHFFFAOYSA-N	371.437	4.085	5	50	FIBA	aggregator
O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	4706820	ZOZAZKKEIBVJNY-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
CC(C)Oc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	4858097	DJUHTUSHUTWRJB-UHFFFAOYSA-N	357.391	4.244	5	50	FIBA	
O=C(Nc1ccc(-c2nnc[nH]2)cc1)c1cc2ccccc2c2cccnc12	225557993	UDQNUYFGQSUZDC-UHFFFAOYSA-N	365.396	4.425	5	50	FIBA	
COc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-]	2835422	PFNUAIIDFABSNP-UHFFFAOYSA-N	363.782	4.119	5	50	FIBA	
CCOC(=O)c1c(-c2ccccc2)oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc12	2810031	JFVFCLVQPDMIIP-UHFFFAOYSA-N	356.290	4.093	5	50	FIBA	biogenic
O=C(NCc1ccccc1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	4114524	ZOOQYYIMPFKJTJ-UHFFFAOYSA-N	361.401	4.137	5	50	FIBA	
C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	252539841	OMWKZESJBNYCOR-GDLHICMESA-N	372.387	4.380	5	50	FIBA	
Cc1ccc(CN2CC[C@H](CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1	328593476	AOUWOKICYYNHKK-DLBZAZTESA-N	373.522	4.480	5	50	FIBA	
COc1cc2c(cc1OC)C1(CCCC1)CN[C@H]2c1cccc([N+](=O)[O-])c1	19312865	OGIKRJOSUWITTI-FQEVSTJZSA-N	368.433	4.116	5	50	FIBA	
C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	225579734	OMWKZESJBNYCOR-YSLLHCQFSA-N	372.387	4.380	5	50	FIBA	
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc([N+](=O)[O-])cc1	4349002	VZDLIGWXELAWNR-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
COc1ccc(NC(=S)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1	5063133	YNJVFZLWMCLLHT-UHFFFAOYSA-N	367.814	4.074	5	50	FIBA	
Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1[N+](=O)[O-]	4702126	SPNAGFJGSRJLAD-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1C(F)(F)F	4774177	FRRJEVCIFPEMTG-UHFFFAOYSA-N	360.679	4.306	5	50	FIBA	
C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1	301378962	XTQHRJDKGGUOTN-SNVBAGLBSA-N	355.379	4.132	5	50	FIBA	
O=C(O)c1cc([N+](=O)[O-])c(Nc2cccc3ccccc23)c([N+](=O)[O-])c1	3877749	BDGZNKMKXGFBIU-UHFFFAOYSA-N	353.290	4.098	5	50	FIBA	
COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)C	5050045	QDVLLRPPUNMNBK-UHFFFAOYSA-N	364.785	4.296	5	50	FIBA	
CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	1120879	FDNPQGKAHFOYRB-UHFFFAOYSA-N	365.345	4.066	5	50	FIBA	
CCOC(=O)c1cccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)c1	1145640	NXOUQJOWOVVNMR-UHFFFAOYSA-N	365.389	4.241	5	50	FIBA	
Cc1ccc(C(c2ccc(C)o2)c2cc3c(cc2[N+](=O)[O-])OCCO3)o1	3847562	GBHSWYPJVJLCNK-UHFFFAOYSA-N	355.346	4.349	5	50	FIBA	biogenic
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])cc1	1172948	YCASNPRHQLUXPF-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1	1175670	NUKLXTSRJYAIOZ-UHFFFAOYSA-N	357.435	4.019	5	50	FIBA	
COC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C(F)(F)F)s1	1875263928	WGQKEQFMSITKJW-DUXPYHPUSA-N	358.297	4.027	5	50	FIBA	
CCCCCC[C@H]1C[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4828790	GNYOSEKMPAJYLZ-YOEHRIQHSA-N	362.426	4.216	5	50	FIBA	aggregator
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2ccccc2o1	4841059	STDXANIHEKELFW-UHFFFAOYSA-N	366.402	4.429	5	50	FIBA	
O=c1c2cnc3nc4ccccc4n3c2ccn1-c1cccc2ccccc12	22607849	OVXCAFKKEUPDSN-UHFFFAOYSA-N	362.392	4.340	5	50	FIBA	
CCCCOC(=O)c1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1	2870217	UMMWUSSFXHKNEG-UHFFFAOYSA-N	370.405	4.237	5	50	FIBA	
CC(C)(C)c1ccc(NC(=S)NC(=O)c2ccccc2)c([N+](=O)[O-])c1	3878163	ZOOFKBCQNKKVJB-UHFFFAOYSA-N	357.435	4.019	5	50	FIBA	
COc1cccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	4542652	XZYDMEIXLMRKNX-UHFFFAOYSA-N	366.373	4.435	5	50	FIBA	
O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)NCc1ccccc1	4542661	APUSYDZJTSXBRZ-UHFFFAOYSA-N	350.374	4.104	5	50	FIBA	
CCOC(=O)c1cnc2cc(F)c(F)cc2c1Nc1cccc([N+](=O)[O-])c1	4708861	NSEJVXZDWXCPND-UHFFFAOYSA-N	373.315	4.342	5	50	FIBA	
CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	817506	NAAILXHGOUAKBT-UHFFFAOYSA-N	354.284	4.265	5	50	FIBA	
CCOc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OCC	1132866	UKXARWGWGIFBMX-UHFFFAOYSA-N	355.350	4.109	5	50	FIBA	
CC(C)(C)c1csc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	4140068	IVSMEXXTAVOUSL-UHFFFAOYSA-N	374.466	4.201	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1[N+](=O)[O-]	5041828	SUIIUECTFLEUPD-UHFFFAOYSA-N	371.437	4.400	5	50	FIBA	
C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2	239433511	XUNGHYMVYCTHPS-ZILOHOTNSA-N	356.530	4.451	5	50	FIBA	
CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	1185652	JHMUGNOCEPLDSC-UHFFFAOYSA-N	350.330	4.310	5	50	FIBA	
CC(C)(C)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1	725982	QYJOAGGTOBLPLT-ATVHPVEESA-N	350.374	4.237	5	50	FIBA	
O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1-c1ccccc1	4141547	BJSKHMLYGROIIM-ZRDIBKRKSA-N	359.341	4.057	5	50	FIBA	
O=[N+]([O-])c1c(Sc2ccc(OC(F)(F)F)cc2)nc2ccccn12	1875341848	KSLDHGFAGBOPLI-UHFFFAOYSA-N	355.297	4.292	5	50	FIBA	
COc1ccc(Cl)cc1NC(=S)Nc1ccc(C)cc1[N+](=O)[O-]	5041283	UZDKCNCAHJZFPY-UHFFFAOYSA-N	351.815	4.374	5	50	FIBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1nc(-c2ccccc2)cs1	1129475	YBFIVYFFIXFMSJ-ZHACJKMWSA-N	351.387	4.370	5	50	FIBA	
C[C@H](N[C@@H]1CCO[C@@H]1c1ccccc1)[C@H](C)Cc1ccccc1[N+](=O)[O-]	225527819	CFPOJLGOGLPIRB-NNNWTRQLSA-N	354.450	4.282	5	50	FIBA	
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cn1	5223939	IPZSOJMPCPZTOE-UHFFFAOYSA-N	360.679	4.306	5	50	FIBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1	4354022	BVPWUMTVJAETIH-UHFFFAOYSA-N	370.386	4.188	5	50	FIBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)c2ccccc2)cc1	3466214	IDVKTANOCAUZHT-UHFFFAOYSA-N	354.387	4.122	5	50	FIBA	
Cc1ccc(-c2nn3c(O)cc(-c4ccc([N+](=O)[O-])cc4)nc3c2C)cc1	22147227	YCPAJZCSIQNNGQ-UHFFFAOYSA-N	360.373	4.294	5	50	FIBA	
O=C(COC(=O)c1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1	1170891	BHSPPHBUAWSFBZ-UHFFFAOYSA-N	361.353	4.302	5	50	FIBA	
CC(C)c1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1	19959347	JUJGZNANCPJJOW-UHFFFAOYSA-N	354.413	4.310	5	50	FIBA	
Cc1ccccc1CSCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	2817106	ZLLJQWBBCBUCKN-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
COc1cccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1	4668237	LJHIARNIPVXOGK-UHFFFAOYSA-N	369.421	4.236	5	50	FIBA	
O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC=C(c2ccc(Cl)cc2)CC1	4054426	HNAMPCGTHAYXFK-UHFFFAOYSA-N	359.769	4.450	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1	1156539	LEFHCZNIKOPSTL-UHFFFAOYSA-N	368.414	4.371	5	50	FIBA	
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4794887	BGQSOJOJAGJAIZ-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1Cl	946585	FERDWQGIVCMSEX-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])[C@@]1(c2ccccc2)CC1(Cl)Cl	4955342	RCECHFKLKLRUJZ-HNNXBMFYSA-N	351.189	4.049	5	50	FIBA	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Br	674497	JJUHTWPIGGCPLJ-UHFFFAOYSA-N	353.147	4.057	5	50	FIBA	
O=C(Nc1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	4543112	DYKDNJVKXDOTMR-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1[C@H]2CCC[C@H]1CC2	437952799	YFHTZHIBTXQAEL-RYUDHWBXSA-N	374.384	4.249	5	50	FIBA	
COc1cccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	4181299	HXTMMPVYCXZLOA-UHFFFAOYSA-N	356.300	4.113	5	50	FIBA	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1	4983890	MBMVVWCSUKKRMB-UHFFFAOYSA-N	369.421	4.092	5	50	FIBA	
COc1ccc(-c2ccc(/C=C3\SC(=S)N=C3O)o2)cc1[N+](=O)[O-]	16115957	IVIIARLEXPGRNU-QPEQYQDCSA-N	362.388	4.193	5	50	FIBA	
COc1cc(OC)c(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1Cl	1753779	OFFUHXJAOBJDHW-UHFFFAOYSA-N	365.773	4.218	5	50	FIBA	
O=[n+]1c2ccccc2n(O)c2cc3[nH]c(-c4ccc(Cl)cc4)nc3cc21	33574237	XNELDSQOCLFQAP-UHFFFAOYSA-N	363.784	4.143	5	50	FIBA	
O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(Cl)cc1Cl	787419	MWGJFSNJLVRHBX-VGOFMYFVSA-N	363.156	4.246	5	50	FIBA	
CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc(C)c1C	1067904	SCOFWWJZGWZWCF-UHFFFAOYSA-N	362.407	4.011	5	50	FIBA	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@@H]1c1cccnc1	225603736	HWHHPICFLVIHHW-DNVCBOLYSA-N	355.438	4.360	5	50	FIBA	
Cc1ccc(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1	823218	QPYQFAWIPILFJB-UHFFFAOYSA-N	353.399	4.403	5	50	FIBA	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)c1ccccn1	1230720	UBMIKHOMENZLGM-UHFFFAOYSA-N	367.792	4.490	5	50	FIBA	
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1	737449261	OUIXOZMCGPDCLE-LSDHHAIUSA-N	355.463	4.478	5	50	FIBA	
O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1	11990368	GVEZHQDBCVNRSY-FXAWDEMLSA-N	361.357	4.430	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)cc1NCCCOc1nonc1-c1ccccc1	4018561	ROTVHSDQOXEQDH-UHFFFAOYSA-N	374.784	4.179	5	50	FIBA	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1	4785452	NFLFAEGEXFZSFD-UHFFFAOYSA-N	369.421	4.236	5	50	FIBA	
O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1[N+](=O)[O-]	1063533	QIMOGJOAGMAAFJ-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1	55292004	IEMDMTUFSNXVET-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1	55007617	FCPHHCYACJJUAX-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1	878776	QGUXIPKUWTWAGN-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
COc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	5065626	KGQPBJHFQIXIPO-ZDUSSCGKSA-N	372.421	4.307	5	50	FIBA	
C[N@+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@H](c2ccccc2)C1	245257388	ZGCCWLQRVUYKHK-RDPSFJRHSA-N	366.481	4.055	5	50	FIBA	
O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	1186784	MFWMVSCIZNBAOY-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
Cc1sc(CCNc2cc(N)ccc2[N+](=O)[O-])nc1-c1ccccc1	170616267	CKVAOELTVZZNEG-UHFFFAOYSA-N	354.435	4.264	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(C(C)C)c(C)c1	4040485	CRJJCLMAFFLSGC-UHFFFAOYSA-N	358.394	4.053	5	50	FIBA	
Cc1ccc(NC(=O)COc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	4647087	NCDOKGVESJCNFQ-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
CS[C@H]1CCC[C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C1	117393999	PMEJHDPAIAHGNR-NEPJUHHUSA-N	359.289	4.121	5	50	FIBA	
CCOC(=O)c1cnc2c(C)cccc2c1Nc1cccc([N+](=O)[O-])c1	949562	QBDWSBRVISBPKS-UHFFFAOYSA-N	351.362	4.372	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1	252460991	JSAHWRWJVNYPMA-KJXAQDMKSA-N	360.518	4.287	5	50	FIBA	biogenic
Cc1ccc(-n2nc(C)c(/C=C/c3onc(C)c3[N+](=O)[O-])c2C)c(C)c1	1160571	ZIKGVRFJIAEDGT-VQHVLOKHSA-N	352.394	4.481	5	50	FIBA	
COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	4591624	RJJCYJJRSGEGKG-UHFFFAOYSA-N	362.385	4.123	5	50	FIBA	
Cn1c(Sc2ccc([N+](=O)[O-])c3cccnc23)nnc1-c1ccccc1	1084529	SIUYBVVOMRNIJE-UHFFFAOYSA-N	363.402	4.090	5	50	FIBA	
CCOc1ccc(C(=O)Nc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-]	1185593	VXEZUVFXICIMKA-UHFFFAOYSA-N	370.283	4.144	5	50	FIBA	
O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2ccc(Cl)cc2)CC1	4980800	JQFICDCEDFRQTJ-HWKANZROSA-N	357.841	4.084	5	50	FIBA	
COc1cc2ccc3c(CCN(C)C)cc(OC)c(OC)c3c2cc1OC	840899	IYAWRUZJOPTSGN-UHFFFAOYSA-N	369.461	4.132	5	50	FIBA	biogenic
COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)c1ccc(Cl)s1	13745101	XUAHZXYKMFIKRW-MRVPVSSYSA-N	355.803	4.201	5	50	FIBA	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1	680966	HWFUNQJFMKUEHB-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=C(CSc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1O	4808979	VLFMSYKDRMAUNA-UHFFFAOYSA-N	354.387	4.184	5	50	FIBA	
COc1c(Cl)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl	5093613	HJBSWDNOJFRXBS-UHFFFAOYSA-N	355.177	4.471	5	50	FIBA	
CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	1135057	XHADSIOZOMYJBR-LBPRGKRZSA-N	357.435	4.235	5	50	FIBA	
CC(=O)Oc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1	5065070	GSQYTWANSBMLFB-UHFFFAOYSA-N	355.375	4.387	5	50	FIBA	
CCOc1ccc(N2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1	5593056	RDBPXOQHPSXKFV-LFIBNONCSA-N	370.386	4.234	5	50	FIBA	
O=C(c1cccc([N+](=O)[O-])c1)N1Cc2ccccc2-c2ccccc2C1=O	1203170	QKAZUNUVZWMVQC-UHFFFAOYSA-N	358.353	4.058	5	50	FIBA	
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1	2996468	GGRSNDJEWWANLB-UHFFFAOYSA-N	366.394	4.022	5	50	FIBA	
O=[N+]([O-])c1ccc(OCc2noc(C3CCCCC3)n2)c2ncccc12	225543221	LIHKBBIXHYIVPZ-UHFFFAOYSA-N	354.366	4.153	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1	245296037	JSAHWRWJVNYPMA-IEIRFRATSA-N	360.518	4.287	5	50	FIBA	biogenic
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Br)c(Cl)c1	2855062	GFZIHMAMIHGIBG-UHFFFAOYSA-N	369.602	4.192	5	50	FIBA	
Cc1ccc(-c2nc(CCNc3ccc([N+](=O)[O-])cc3C=O)cs2)cc1	4051752	HDGIZFARBYXRMZ-UHFFFAOYSA-N	367.430	4.494	5	50	FIBA	
CS[C@@H]1CCC[C@@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C1	117393996	PMEJHDPAIAHGNR-VXGBXAGGSA-N	359.289	4.121	5	50	FIBA	
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1	957048	GJYUNDLCEITSTK-UHFFFAOYSA-N	357.309	4.311	5	50	FIBA	
CC1(C)C(=O)[C@@](C)(Cc2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccccc1	1140363	GMFJDUUARUYJBW-DYESRHJHSA-N	367.401	4.037	5	50	FIBA	
Cc1c(C(=O)OCc2cccc(Br)c2)cccc1[N+](=O)[O-]	959583	YJFWXARVMADKDF-UHFFFAOYSA-N	350.168	4.023	5	50	FIBA	
O=C(O)[C@@H]1CCCC[C@H]1N1C(=O)c2cc3cc4ccccc4cc3cc2C1=O	44069110	IIJKRPVAVXANME-YLJYHZDGSA-N	373.408	4.232	5	50	FIBA	in-vitro
CCCc1cc(C(=O)OCC)c(NC(=O)c2ccccc2[N+](=O)[O-])s1	4749175	CRJYHFQNRYUEJY-UHFFFAOYSA-N	362.407	4.038	5	50	FIBA	
Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-]	1228687	LZIWGONRFMZKQS-UHFFFAOYSA-N	365.345	4.001	5	50	FIBA	
Cc1ccc(NC(=O)CSCc2ccccc2Cl)c([N+](=O)[O-])c1	4808879	WZGWXHVYEQTDRG-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC	1065456	HHLDNNUVFABMAH-UHFFFAOYSA-N	364.785	4.298	5	50	FIBA	
O=C(Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1Cl	1230484	ZJIIWOFVRHVZFH-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CCOC(=O)c1cc(C(C)C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1	669068	AVNJVNLYGMCCGB-UHFFFAOYSA-N	362.407	4.209	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3ccc(Br)o3)o2)c1	994580	BJBBFHFVMDTSDB-UHFFFAOYSA-N	370.546	4.321	5	50	FIBA	
O=c1c(Oc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)oc2cc(O)ccc12	2576214	XGDYVPBQAKQWEI-UHFFFAOYSA-N	367.235	4.218	5	50	FIBA	
O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1	1028276	YXYLUZSYFNOHML-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=[N+]([O-])c1cnc(NCc2ccnc(OC3CCCCC3)c2)c(Cl)c1	170633274	AMPCPWXNFVMBKK-UHFFFAOYSA-N	362.817	4.362	5	50	FIBA	
C[C@H]1CN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C[C@@H](C)O1	16285844	QQDRSIQCAIGZCS-BETUJISGSA-N	374.824	4.093	5	50	FIBA	
O=[N+]([O-])c1ccc(/C(=C/c2ccc3c(c2)OCCO3)c2ccncc2)cc1	215736387	YRJGVSZTRMTOQP-UYRXBGFRSA-N	360.369	4.350	5	50	FIBA	
CCN(CC)c1cc(Nc2ccc(C)c(C)c2)c([N+](=O)[O-])c2nonc12	4116735	QPRLCEPFOVBTMQ-UHFFFAOYSA-N	355.398	4.338	5	50	FIBA	
O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Cl	1155274	DEKNOPYHCKCCGS-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl	2774097	RBHOGESFMLWRPD-UHFFFAOYSA-N	359.596	4.485	5	50	FIBA	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1Cl	4872539	DIMNDQVVPWLXNO-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
O=[N+]([O-])c1ccc(NCCc2csc(-c3cccc(Cl)c3)n2)nc1	20365731	CGDUYEYKWYTCNU-UHFFFAOYSA-N	360.826	4.421	5	50	FIBA	
COc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	4542671	AARGKZIFXVSCBY-UHFFFAOYSA-N	366.373	4.435	5	50	FIBA	
O=C(COc1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1	1136114	NAHSPNVTDXVXEO-UHFFFAOYSA-N	356.161	4.024	5	50	FIBA	
Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl	1176695	KHUIWOIBHGVFFI-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)cc1	4142526	UUZBETFJICIRRA-ZRDIBKRKSA-N	373.368	4.366	5	50	FIBA	
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)C1(c3ccccc3)CCCC1)CCC2	239433508	XUNGHYMVYCTHPS-NHCICSSKSA-N	356.530	4.451	5	50	FIBA	
O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1	678017	QYOPUSVJJDIXII-UHFFFAOYSA-N	367.386	4.161	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1[N+](=O)[O-]	1198107	PDMFLQDPBBGJLC-UHFFFAOYSA-N	357.410	4.092	5	50	FIBA	
Cc1ccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc1	4706789	JEJPHPKVMYDVJB-UHFFFAOYSA-N	362.389	4.163	5	50	FIBA	
CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1	2845182	PNYYVWYLLUXTFH-HNNXBMFYSA-N	368.418	4.241	5	50	FIBA	
Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	4599871	TYBUWQJGAXDGHY-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-]	4614240	YOECNFHDSDEZGU-UHFFFAOYSA-N	362.385	4.498	5	50	FIBA	
Cc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1[N+](=O)[O-]	1139849	IJQSUJPNBIBPBE-UHFFFAOYSA-N	359.432	4.244	5	50	FIBA	
Cc1c(Cl)cccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	1169173	UIWWCLJFOFFQQZ-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1[N+](=O)[O-]	1171198	FMZICJGFLJICIU-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	1418801	LCPPXYRDHNAYQO-UHFFFAOYSA-N	367.792	4.486	5	50	FIBA	
O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1	4980287	GCNGMWCBANDJFD-UHFFFAOYSA-N	363.417	4.177	5	50	FIBA	
Cc1cccc(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1C	55543921	ZCOJUMSOLLYFGX-UHFFFAOYSA-N	359.857	4.187	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl	4860502	RSGFLVVZBNZJKO-KGLIPLIRSA-N	351.189	4.121	5	50	FIBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1	4867477	SVBTWKMPDRMGGC-UHFFFAOYSA-N	361.151	4.356	5	50	FIBA	
O=C(Nc1ccccc1O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	853029	JXBFHFIABOCTCG-UHFFFAOYSA-N	350.330	4.345	5	50	FIBA	
COc1ccccc1OCCNc1cc(N2CCCCC2)ccc1[N+](=O)[O-]	4181136	XQSONAFMYBJTGJ-UHFFFAOYSA-N	371.437	4.085	5	50	FIBA	
O=[N+]([O-])c1cn(CCc2cc(Cl)cc(Cl)c2)nc1-c1nccs1	253425415	BJLYFVDIYVXWSI-UHFFFAOYSA-N	369.233	4.464	5	50	FIBA	
O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1	685882	ZSLOXEZNPHEZMN-UHFFFAOYSA-N	359.140	4.058	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)cn2)o1	5102719	PEKONSNQYYCRBT-UHFFFAOYSA-N	357.753	4.464	5	50	FIBA	
Cc1cccc(CSCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	2989899	JNPBMLGKRGNZOJ-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
O=C(Nc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1Cl	940131	IGFNILVZYOMTAJ-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)Cc1cccc3ccccc13)CCC2	253389787	FQTGQVXSCBPNGP-JCTONOIOSA-N	352.498	4.335	5	50	FIBA	biogenic
O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3-c2ccccc2)cc1	1314298	MGGKLYNNVBPVQY-UHFFFAOYSA-N	363.402	4.016	5	50	FIBA	
C[C@H]1CCc2c(sc(N)c2C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	6824586	PDGCBNIQKRCINQ-QMMMGPOBSA-N	365.842	4.269	5	50	FIBA	
O=C(Nc1ccc(C(=O)c2cccs2)cc1)c1ccc([N+](=O)[O-])cc1	4868561	GKCHOMUEBGBWAT-UHFFFAOYSA-N	352.371	4.140	5	50	FIBA	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	1127523	ULWBMWLMZOYXEL-UHFFFAOYSA-N	352.749	4.183	5	50	FIBA	
O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1[N+](=O)[O-]	1209773	IXBLACVRVNQIHI-UHFFFAOYSA-N	360.329	4.050	5	50	FIBA	
Cc1c(-c2nc(-c3cccc(Br)c3)no2)cccc1[N+](=O)[O-]	4840125	WGLZDHNZXDDFGX-UHFFFAOYSA-N	360.167	4.383	5	50	FIBA	
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C(C)C	950501	SZVBAORKAFHLSU-UHFFFAOYSA-N	362.407	4.095	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(c2ccc(Cl)cc2)CC1	55543604	BBYRHQAAPQZIAR-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
Cc1ccc(Cl)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1	1169986	ZBPQQOMDWMPUBY-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
O=[N+]([O-])c1ccc(OCc2ccc(/C=C3/SC(=S)N=C3O)o2)cc1	17074519	NDNMGTLEHJNOHM-NTUHNPAUSA-N	362.388	4.096	5	50	FIBA	
O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)o1	22342416	COXWBAZYHVZUKW-UZLBHIALSA-N	361.357	4.430	5	50	FIBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl	2871012	FVTBHWLOYFNUHV-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
CCOC(=O)c1ccc(OC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	1741907	NOWHCUKFUTVTCJ-UHFFFAOYSA-N	364.741	4.036	5	50	FIBA	
COc1cc(C)ccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl	4702069	FTMNAMBDAJVCMS-UHFFFAOYSA-N	351.786	4.413	5	50	FIBA	
CCC(C)(C)c1nnc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1	1005599	XFXWOBWNCSFCOP-UHFFFAOYSA-N	354.819	4.040	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1cc(C)ccc1C	1779309	GYCZXENXBPBQTF-UHFFFAOYSA-N	358.394	4.018	5	50	FIBA	
O=[N+]([O-])c1cccc(N[C@H](Cc2ccccc2)n2nnc3ccccc32)c1	5331685	XKTIIBCPUHAXLU-FQEVSTJZSA-N	359.389	4.193	5	50	FIBA	
CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	817493	NDDSYHWJDDEYBU-UHFFFAOYSA-N	365.183	4.008	5	50	FIBA	
CC[C@@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	1110224	UJOFGCPQWGRXRJ-CYBMUJFWSA-N	358.394	4.134	5	50	FIBA	
Cc1nn(C(=O)c2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-]	1185207	AMTCBSUKLOISFC-UHFFFAOYSA-N	353.403	4.248	5	50	FIBA	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	4379924	LKJBIEDLNAMERY-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
CN(Cc1ccccc1)c1ccc(C(=O)NC2CCCCC2)cc1[N+](=O)[O-]	5049968	ONYRGYIRKAIICE-UHFFFAOYSA-N	367.449	4.294	5	50	FIBA	
CCCCCC[C@@H]1C[C@H](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4828789	GNYOSEKMPAJYLZ-WMLDXEAASA-N	362.426	4.216	5	50	FIBA	aggregator
COc1nc2c(C)cccc2cc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1	1063273	ABYOLMRDMJLJQQ-UHFFFAOYSA-N	362.345	4.177	5	50	FIBA	
O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1CC12CC3CC(CC(C3)C1)C2	3900387	GMLDEBMJVPZXGL-RNJZWHOHSA-N	372.490	4.385	5	50	FIBA	
Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1	850635	NBLBAQXIDUMFAR-UHFFFAOYSA-N	374.352	4.496	5	50	FIBA	
COc1ccccc1OCCCCOc1ccc([N+](=O)[O-])cc1Cl	2985194	UJOZOVCOWDEHAS-UHFFFAOYSA-N	351.786	4.495	5	50	FIBA	
O=C(c1cc2ccccc2c2cccnc12)N1CC[C@@H](Oc2cccnc2)C1	225476973	UESVNSXXSQBSEQ-GOSISDBHSA-N	369.424	4.077	5	50	FIBA	
O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1	934706	GVEZHQDBCVNRSY-XLIONFOSSA-N	361.357	4.430	5	50	FIBA	
O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1	4424275	GVEZHQDBCVNRSY-PXNSSMCTSA-N	361.357	4.430	5	50	FIBA	
O=c1oc2cc(O)c([N+](=O)[O-])cc2cc1-c1csc(-c2ccccc2)n1	4948949	UEFUTRBUMILPPN-UHFFFAOYSA-N	366.354	4.197	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1	245296041	JSAHWRWJVNYPMA-WPYKKVEZSA-N	360.518	4.287	5	50	FIBA	biogenic
CC(C)CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	855836	OYITVKUNBBIHOF-UHFFFAOYSA-N	356.378	4.050	5	50	FIBA	
O=[N+]([O-])c1cccc(N[C@@H](Cc2ccccc2)n2nnc3ccccc32)c1	5331706	XKTIIBCPUHAXLU-HXUWFJFHSA-N	359.389	4.193	5	50	FIBA	
Cc1c(C(=O)NC(=S)Nc2ccc3ccccc3c2)cccc1[N+](=O)[O-]	1179676	JYMRBTNHNBKHHL-UHFFFAOYSA-N	365.414	4.183	5	50	FIBA	
CCn1c(CN2CCOCC2)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21	22146917	ZDYNAVZCEKFBCO-UHFFFAOYSA-N	365.433	4.069	5	50	FIBA	
COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)N(C)c2ccccc2C1(C)C	753120	IZDVWQPIYXTGIF-FQEVSTJZSA-N	352.390	4.133	5	50	FIBA	
CC(C)CCN(CCC(C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2831604	ZKZOPNFUTNPWPS-UHFFFAOYSA-N	351.403	4.037	5	50	FIBA	
CCOc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1OCC	1069662	BCJAUPOXJFTTNG-LJQANCHMSA-N	371.389	4.244	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(Br)ccc1Cl	4695558	VVJGLXOSDMBCHP-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1	5064904	HHVPMDHTKZMEHL-KRWDZBQOSA-N	357.797	4.336	5	50	FIBA	
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1Cl	1218484	LNCHUEYXELOLQF-UHFFFAOYSA-N	360.675	4.399	5	50	FIBA	
O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	668675	FAFMRGXWXXAMPJ-UHFFFAOYSA-N	359.596	4.485	5	50	FIBA	
CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	1135056	XHADSIOZOMYJBR-GFCCVEGCSA-N	357.435	4.235	5	50	FIBA	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1C[C@@H]1c1ccccc1	1218064	SHSAPKUWCJFHBR-HZPDHXFCSA-N	365.414	4.461	5	50	FIBA	
O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4998315	GTQRYWBFKIUMOX-UHFFFAOYSA-N	373.840	4.420	5	50	FIBA	
O=[N+]([O-])c1ccc(NC(=S)NCc2ccc(Cl)c(Cl)c2)cc1	5041210	BBGZADXMPBRFEV-UHFFFAOYSA-N	356.234	4.388	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1	55543303	PAVRTNNOJRTMMO-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
CN(Cc1ccc(N(C)C)nc1)C(=O)c1cc2ccccc2c2cccnc12	225509845	LTLMVJCJKQBCRF-UHFFFAOYSA-N	370.456	4.121	5	50	FIBA	
CC[N@+]1(C)CC[C@@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)c1ccc(F)cc1	239415423	UKTJWLZFSWIRMU-PIBDYAPNSA-N	353.461	4.117	5	50	FIBA	
COc1cc(OC)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl	1136620	IDIPLOQCTVLTJT-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2cccc(Cl)c2)CC1	4980483	FRLKKQDWCIETBR-GQCTYLIASA-N	357.841	4.084	5	50	FIBA	
Cc1cc(Br)ccc1NC(=S)Nc1cccc([N+](=O)[O-])c1	8682705	AJXCIKXVESDLER-UHFFFAOYSA-N	366.240	4.475	5	50	FIBA	
O=C(NCCOc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1Cl	252480183	BXNPUPONBUCWFG-UHFFFAOYSA-N	370.192	4.102	5	50	FIBA	
CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	878030	RYCPXNMUPBOIDZ-LBPRGKRZSA-N	357.435	4.235	5	50	FIBA	
CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(F)ccc1[N+](=O)[O-]	143004513	FFMQJSXRJPHACJ-UHFFFAOYSA-N	356.350	4.411	5	50	FIBA	in-vitro
Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	1184655	YBHNJLUAJKGGID-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
Cc1c(C(=O)NCCSc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	2985108	BOVFVVGXHCAMQI-UHFFFAOYSA-N	350.827	4.079	5	50	FIBA	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-]	4701747	BQQIOCARRUEVTI-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1	4706787	QXSFVXQDEAAPOX-UHFFFAOYSA-N	357.435	4.019	5	50	FIBA	
O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc([N+](=O)[O-])cc1	4998913	XWPIXUVDMDKGPK-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F	1117085	MBTOYOGSXXSILZ-FPYGCLRLSA-N	365.158	4.148	5	50	FIBA	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)C[C@H]1c1cccnc1	225603820	HWHHPICFLVIHHW-KXBFYZLASA-N	355.438	4.360	5	50	FIBA	
CCC[C@H](C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	1049141	CMJJWBHALYRACQ-QMMMGPOBSA-N	354.819	4.256	5	50	FIBA	
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-]	1171428	OWVRYHSQEVSNKJ-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
CC[C@H](c1ccccc1)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3137226	RSIJYVSTXMBUDE-PXAZEXFGSA-N	358.350	4.242	5	50	FIBA	
O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1CC12CC3CC(CC(C3)C1)C2	3900385	GMLDEBMJVPZXGL-KSVHXXFXSA-N	372.490	4.385	5	50	FIBA	
Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(Br)c1	756556	GQBCNVZOPNASOO-SOFGYWHQSA-N	361.195	4.318	5	50	FIBA	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1[N+](=O)[O-]	674837	WIPNJRQJWDJSGO-SECBINFHSA-N	356.161	4.275	5	50	FIBA	
COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	4358859	UGHSPKDCESIZJY-UHFFFAOYSA-N	362.385	4.374	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccccc2)cc1	4980328	RHZHWFIGPYCWOQ-UHFFFAOYSA-N	368.414	4.371	5	50	FIBA	
CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(Cl)cc1	1049387	NDGSYOLGLNOCJP-UHFFFAOYSA-N	361.814	4.073	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cn1)[C@H](Sc1ccccc1)c1ccccc1	4881715	YWATVWZAXCEHKR-GOSISDBHSA-N	365.414	4.462	5	50	FIBA	
O=[N+]([O-])c1ccc(Br)cc1OC(C(F)(F)F)C(F)(F)F	169725425	WSCXPHAHYXGTFI-UHFFFAOYSA-N	368.027	4.229	5	50	FIBA	
O=[N+]([O-])c1ccc(SCCCn2c(O)nc3ccccc32)c(Cl)c1	1875361844	DUQDLOHOABLUHM-UHFFFAOYSA-N	363.826	4.486	5	50	FIBA	
CC[C@H](C)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	1189879	PSHCGBYLEJCZPP-LBPRGKRZSA-N	358.394	4.378	5	50	FIBA	
COc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	2964776	ZMZPPFXECDCTGT-UHFFFAOYSA-N	368.345	4.124	5	50	FIBA	
O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cccc([N+](=O)[O-])c1	1183195	ZONVDGPZLXXUSV-UHFFFAOYSA-N	364.386	4.223	5	50	FIBA	
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1	850667	XDDLRLMPFMCLIV-UHFFFAOYSA-N	371.352	4.424	5	50	FIBA	aggregator
Cc1nc([N+](=O)[O-])c(Sc2nc3ccccc3o2)n1Cc1ccccc1	854057	WWWYPCXRERXMGO-UHFFFAOYSA-N	366.402	4.440	5	50	FIBA	
COc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC	5047896	JSJPCCBVETXDDZ-UHFFFAOYSA-N	356.300	4.243	5	50	FIBA	
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(F)cc1	1134443	UXRIRSIOLBJBNC-UHFFFAOYSA-N	363.344	4.103	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(C)cc1C	1914134	GBKPKVWDTZYHAW-UHFFFAOYSA-N	358.394	4.018	5	50	FIBA	
CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	3137118	HQTXOJDWQSXEIR-PXAZEXFGSA-N	358.350	4.242	5	50	FIBA	
COc1cc(CN(C)Cc2cccc3ccccc23)c([N+](=O)[O-])cc1OC	23279914	LGOSFVKRHRDKKZ-UHFFFAOYSA-N	366.417	4.397	5	50	FIBA	
CS[C@@H]1CCC[C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C1	117393991	PMEJHDPAIAHGNR-NWDGAFQWSA-N	359.289	4.121	5	50	FIBA	
O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	2267833	LWCLMKHZHMVEDX-SFQUDFHCSA-N	360.325	4.199	5	50	FIBA	
COc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1Cl	1185976	NIXGBTOLLAGZIT-UHFFFAOYSA-N	359.140	4.302	5	50	FIBA	
CCOC(=O)c1cnc2ccc(C)cc2c1Nc1cccc([N+](=O)[O-])c1	939532	YFBPPVIDNKMHRO-UHFFFAOYSA-N	351.362	4.372	5	50	FIBA	
CCCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	2090806	YCZCFKDSESPICX-UHFFFAOYSA-N	357.391	4.246	5	50	FIBA	
CN1CCc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])cc21	253430450	ZMABRGHJVZLITR-UHFFFAOYSA-N	366.204	4.146	5	50	FIBA	
O=[N+]([O-])c1cc(C(=C(Cl)Cl)c2ccc(O)c([N+](=O)[O-])c2)ccc1O	37246177	XYTIHPHDAUABSN-UHFFFAOYSA-N	371.132	4.109	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	104228700	DNBALKJUQVCBSD-UHFFFAOYSA-N	373.108	4.462	5	50	FIBA	
COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	951502	INECVQYBIDZALX-UHFFFAOYSA-N	355.177	4.471	5	50	FIBA	
CCCCOc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	55292307	ANFHHVPBQKCVEK-UHFFFAOYSA-N	369.465	4.096	5	50	FIBA	
O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1	4833492	LLSOOWHSISJOKS-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
COc1cc(F)c([N+](=O)[O-])c(Nc2cnn([C@H](C)c3ccccc3)c2)c1	2325826973	QXYGQOLRXFJCFO-GFCCVEGCSA-N	356.357	4.292	5	50	FIBA	
O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc3ccccc3c2)CC1	4724333	CGNKPCLUWSNJCD-UHFFFAOYSA-N	361.445	4.066	5	50	FIBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)c1	4957258	VDYNULSQWSGVBS-UHFFFAOYSA-N	369.402	4.139	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2cc(O)n3nc(-c4cccc(Cl)c4)cc3n2)cc1	107829067	YRQOJKMPHACWOW-UHFFFAOYSA-N	366.764	4.331	5	50	FIBA	
C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	252539842	OMWKZESJBNYCOR-WFTWPBCJSA-N	372.387	4.380	5	50	FIBA	
COCc1ccccc1NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl	170615900	DXPNDDGJPXLLNZ-UHFFFAOYSA-N	355.177	4.300	5	50	FIBA	
Cc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccccc2[N+](=O)[O-])c(C)c1	17073590	IPGVWEDVZKANET-HNNXBMFYSA-N	356.422	4.246	5	50	FIBA	
CNc1ccc(C(=O)N(Cc2ccco2)c2ccc(C)cc2)cc1[N+](=O)[O-]	4140060	UFIHVXASOCULPF-UHFFFAOYSA-N	365.389	4.385	5	50	FIBA	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(Cl)cc1C(F)(F)F	650232	SLEUWKNMDHGOCW-UHFFFAOYSA-N	370.670	4.068	5	50	FIBA	
Cn1cc([C@@H](O)CNCc2c3ccccc3c(Cl)c3ccccc23)cn1	170642694	OVQHHFBSNFHGKF-FQEVSTJZSA-N	365.864	4.203	5	50	FIBA	
Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)c1	722517	OXXRGXDESPEXMI-UHFFFAOYSA-N	365.345	4.001	5	50	FIBA	
Cc1c(NC(=O)CSCc2cccc(Cl)c2)cccc1[N+](=O)[O-]	1120207	URUILXYPDQZGCS-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1	4573094	OHZBTUSRWKVLNG-UHFFFAOYSA-N	356.325	4.344	5	50	FIBA	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1	5123721	ACMQHKPHAKWVIX-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC(Cc2ccccc2)CC1	17073180	IRAPCGQCNVGPSZ-UHFFFAOYSA-N	353.422	4.390	5	50	FIBA	
O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)nc1	6456754	AMSWOBPTAGXMHB-UHFFFAOYSA-N	368.205	4.233	5	50	FIBA	
Cn1c(=O)c([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c2ccccc21	9300818	DHNANYULSYRAAK-UHFFFAOYSA-N	363.295	4.209	5	50	FIBA	
COc1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1	4998219	KGRKYGIDLLGLNT-UHFFFAOYSA-N	369.421	4.236	5	50	FIBA	
O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc2cn[nH]c12	4625132	LCGDFNSMSLPPFM-UHFFFAOYSA-N	351.149	4.030	5	50	FIBA	
O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Br)o3)o2)ccc1Cl	994478	QWTJJDSUMQWNCG-UHFFFAOYSA-N	370.546	4.321	5	50	FIBA	
Cc1cc(OCCN2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-]	4832860	FMBVMBZAESFWFX-UHFFFAOYSA-N	354.450	4.237	5	50	FIBA	
C[N@@+]1(Cc2cc3c(cc2Cl)OCO3)CCc2[nH]c3ccccc3c2C1	253389780	CUTVRWJYIZPKLM-QHCPKHFHSA-N	355.845	4.253	5	50	FIBA	biogenic
CCOc1ccc(NC(=O)c2oc3ccc(F)cc3c2C)c([N+](=O)[O-])c1	5028181	DLAAFHHBUFKKFJ-UHFFFAOYSA-N	358.325	4.440	5	50	FIBA	
COc1cc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)ccc1O	218259636	JLLMXUIZPCSRIU-UHFFFAOYSA-N	361.357	4.253	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1	245296039	JSAHWRWJVNYPMA-RRPUWOKSSA-N	360.518	4.287	5	50	FIBA	biogenic
O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Br)o3)no2)c1	4686669	HMXQEOFEURIVOY-UHFFFAOYSA-N	370.546	4.321	5	50	FIBA	
O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccccc1	793748	QOWFZRRLJNKIPX-UHFFFAOYSA-N	360.325	4.188	5	50	FIBA	
CC[N@+]1(C)CC[C@@H]2[C@H](C1)c1cc(C)ccc1N2C(=O)c1ccc(F)cc1	239415421	UKTJWLZFSWIRMU-DZRGJMJISA-N	353.461	4.117	5	50	FIBA	
O=C(Oc1cc(Cl)ccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	6828764	IPDJKLWMESJHCC-UHFFFAOYSA-N	357.105	4.029	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl	2906690	SHFZVGNGAINVNE-LSDHHAIUSA-N	365.216	4.429	5	50	FIBA	
COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C	4673224	KAWBJJOYZSNAIT-UHFFFAOYSA-N	355.177	4.471	5	50	FIBA	
O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2ccccc2)cc1	3069823	WZAFWXOHYFHLFU-UHFFFAOYSA-N	360.369	4.473	5	50	FIBA	
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F	1134907	OARAJLARXUETOG-UHFFFAOYSA-N	352.749	4.183	5	50	FIBA	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]	3832977	IIHUHBYFBCHVQO-UHFFFAOYSA-N	368.414	4.371	5	50	FIBA	
CCN(CC)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1	5041875	FAZVVRFQUIUSQE-UHFFFAOYSA-N	374.466	4.259	5	50	FIBA	
CCc1cccc(C)c1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4983353	FMWULQLBNNASQJ-UHFFFAOYSA-N	353.422	4.318	5	50	FIBA	
O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1ccc([N+](=O)[O-])cc1	831355	UYWNMXWKRUIMLC-UHFFFAOYSA-N	358.357	4.162	5	50	FIBA	
Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	676176	OFCQSQIGWUZKBP-UHFFFAOYSA-N	370.796	4.054	5	50	FIBA	
Cc1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]	1217732	JDAFNABZTJMZCL-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	
C[C@@H]1CN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])C[C@@H](C)O1	4978450	QQDRSIQCAIGZCS-CHWSQXEVSA-N	374.824	4.093	5	50	FIBA	
Cc1c(OCC(=O)OCc2ccccc2)ccc2c1oc(=O)c1ccccc12	5921522	IPLJXQQFCQJJBQ-UHFFFAOYSA-N	374.392	4.377	5	50	FIBA	
Cc1ccccc1Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1	17076013	BBUQJJYRPUKYTL-UHFFFAOYSA-N	370.796	4.054	5	50	FIBA	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl	680965	KITIMOBFHZEULA-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=C(Oc1cccc2cccnc12)c1ccc(Br)c([N+](=O)[O-])c1	2197460	UQEJKDVAMAOGOD-UHFFFAOYSA-N	373.162	4.125	5	50	FIBA	
CCOc1ccccc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	5028003	GWUKKJNHGYXJCN-UHFFFAOYSA-N	369.421	4.236	5	50	FIBA	
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1[N+](=O)[O-]	841506	UQNJCBKHQPGSBM-UHFFFAOYSA-N	358.357	4.390	5	50	FIBA	
Nc1cc(F)cc([N+](=O)[O-])c1NC(=O)Nc1cc(Cl)ccc1Cl	4799666	BDWMZZVRPHEDMI-UHFFFAOYSA-N	359.144	4.267	5	50	FIBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl	2946978	SRRZSUWLGLOLJE-UONOGXRCSA-N	351.189	4.121	5	50	FIBA	
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(Br)c1	1113696	PSJIQJPEYRDGSY-WEVVVXLNSA-N	361.195	4.318	5	50	FIBA	
O=c1oc2ccccc2c2ccnc(NCCc3c[nH]c4ccccc34)c12	1848443276	CLVFSCOHUVHGGI-UHFFFAOYSA-N	355.397	4.477	5	50	FIBA	
Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1	3002226	XQEOEENDPIWBRP-UHFFFAOYSA-N	368.414	4.371	5	50	FIBA	
Cc1cccc(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1C	55543133	MBYOCZJACZHAGP-UHFFFAOYSA-N	359.857	4.187	5	50	FIBA	
CCCCN(Cc1ccccc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	55291997	KSHHHWRXCKXIDV-UHFFFAOYSA-N	358.438	4.414	5	50	FIBA	
O=c1cc(CN2CCN(c3ccccc3)CC2)c2c(ccc3ccccc32)o1	54105964	ZABWPWQSDAKQML-UHFFFAOYSA-N	370.452	4.268	5	50	FIBA	aggregator,biogenic
COc1cc([N+](=O)[O-])ccc1NC(=O)NCc1ccc(Cl)c(Cl)c1	5041721	NNEORXNACZIQNN-UHFFFAOYSA-N	370.192	4.232	5	50	FIBA	
O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1OCc1ccccc1)C(F)(F)F	4393917	PRENBAOPXKNYOA-UHFFFAOYSA-N	374.702	4.328	5	50	FIBA	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1F	672457	HUESFOZNPZICAG-MRVPVSSYSA-N	373.167	4.447	5	50	FIBA	
Cc1c(NC(=O)CSCc2ccccc2Cl)cccc1[N+](=O)[O-]	2852806	JDOMQNMJBNPTAN-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
C[C@H](NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1	834561	TXCXNYPITHPKSJ-NSHDSACASA-N	373.459	4.174	5	50	FIBA	
COc1ccc(NC(=O)CSCc2ccccc2Cl)c([N+](=O)[O-])c1	4829134	ASFVIGRNELOTIO-UHFFFAOYSA-N	366.826	4.129	5	50	FIBA	
CC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	5283591	JMKPEMZGYMSEMK-UHFFFAOYSA-N	353.385	4.285	5	50	FIBA	
O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])cc(Br)c1F	239667436	BQBJZMSINILOAK-UHFFFAOYSA-N	373.565	4.402	5	50	FIBA	
COC(=O)c1ccc(COc2ccc3c(c2)oc(=O)c2ccccc23)cc1	634515	KCRYHCDKBNNCHF-UHFFFAOYSA-N	360.365	4.312	5	50	FIBA	
Cc1nc(-c2cc3ccccc3oc2=O)cc2c1c(=O)oc1ccccc12	753995	GSMVDEHIJKPMBB-UHFFFAOYSA-N	355.349	4.423	5	50	FIBA	biogenic
Cc1ccc(OCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	1777516	NGEKGHRHTMSVOF-UHFFFAOYSA-N	371.418	4.311	5	50	FIBA	
O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)cc1N1CCOCC1	5338227	YYFWMPLHHHEMIV-UHFFFAOYSA-N	367.430	4.131	5	50	FIBA	
CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	2832731	UWPQWUXBSUILKE-VAWYXSNFSA-N	367.405	4.375	5	50	FIBA	
COc1ccccc1OCCSc1nc2ccc([N+](=O)[O-])cc2s1	2937254	FVKYGPMJOJGTIB-UHFFFAOYSA-N	362.432	4.384	5	50	FIBA	
Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	1139850	XZSIEPJHAHKWGD-UHFFFAOYSA-N	368.172	4.250	5	50	FIBA	
Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)C)c1C	1115021	WSZCHYIPIMOYQW-UHFFFAOYSA-N	362.407	4.091	5	50	FIBA	
O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1	17885468	CAOSNOXIMUCFAK-UHFFFAOYSA-N	358.357	4.390	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc2ccccc2o1	4040798	LNPNPQBYTWFJDA-UHFFFAOYSA-N	361.151	4.356	5	50	FIBA	
O=C(OCc1nc2ccccc2c2ccccc12)c1ccc2nc(O)[nH]c2c1	914925908	KYIHJTMTEWYNMC-UHFFFAOYSA-N	369.380	4.327	5	50	FIBA	
Cn1c(SCc2c(Cl)cccc2[N+](=O)[O-])nnc1-c1ccccc1	1084496	BTLXPJZBHOYIJH-UHFFFAOYSA-N	360.826	4.336	5	50	FIBA	
O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1141900	LBKZKHDYFJRRNV-UHFFFAOYSA-N	366.417	4.409	5	50	FIBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1(c2ccccc2)CCCC1	1177889	NKFHMJVNXUQVBK-JLHYYAGUSA-N	350.418	4.236	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1oc2ccccc2c1C	4547524	UUCZIPYYNIWTCQ-UHFFFAOYSA-N	369.402	4.085	5	50	FIBA	
O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc([N+](=O)[O-])cc1	955625	GRVUACGHXSKOHH-UHFFFAOYSA-N	363.398	4.082	5	50	FIBA	
O=[N+]([O-])/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	1116465	PQHKRPIFYLIEQP-BQYQJAHWSA-N	352.159	4.415	5	50	FIBA	
COc1cc(OC)c(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1Cl	1140788	ZQYIOJGXLUBGQC-JTQLQIEISA-N	364.785	4.008	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C)cc1C(C)(C)C	951451	SLGMNFGTEBOGHA-UHFFFAOYSA-N	372.421	4.227	5	50	FIBA	
Cc1ccc(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1C	951566	LJHKTONSRZFVKQ-UHFFFAOYSA-N	371.418	4.147	5	50	FIBA	aggregator
COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1	22996457	ROQJJLMBSRPRNO-UHFFFAOYSA-N	356.161	4.267	5	50	FIBA	
COc1cccc2c1oc(=O)c1c(N)nc3c(c12)C[C@@H](C(C)(C)C)CC3	2841735	GTDSPNPQXFBICR-NSHDSACASA-N	352.434	4.083	5	50	FIBA	
Cc1ccc(NC(=O)OCCOc2ccccc2Cl)cc1[N+](=O)[O-]	1753793	YWECZLIVGSVDRN-UHFFFAOYSA-N	350.758	4.184	5	50	FIBA	
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1	1205239	GWGULEVCJDZXEX-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
COc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	2970466	VZFNHCMFVIFYTG-UHFFFAOYSA-N	368.345	4.124	5	50	FIBA	
CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C)c1C	1023039	JMMVKFIWXGIMOQ-UHFFFAOYSA-N	362.407	4.011	5	50	FIBA	
NC(=O)c1ccc(N[C@@H]2CCc3c(Cl)cc(Cl)cc32)c([N+](=O)[O-])c1	2325828515	JHMYHGZUVBNVHU-CYBMUJFWSA-N	366.204	4.100	5	50	FIBA	
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1[N+](=O)[O-]	1216645	GXCTYEVPMSIIKA-UHFFFAOYSA-N	360.329	4.050	5	50	FIBA	
Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	4758422	NPBZICCZUFYENO-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
Cn1cc([C@H]2CCCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1	253427146	DLUIKJHOFNCDHE-CYBMUJFWSA-N	354.332	4.079	5	50	FIBA	
CCC(C)(C)c1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1	1005610	WGOCBCLPZAVVLB-UHFFFAOYSA-N	354.819	4.040	5	50	FIBA	
COc1cc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	1141048	LLCUYWOXXRYEHO-JTQLQIEISA-N	364.785	4.008	5	50	FIBA	
Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1	877463	AKEUMMFCXLQBKP-UHFFFAOYSA-N	365.345	4.001	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4846147	ISTRDSHOXRTGET-UHFFFAOYSA-N	360.797	4.458	5	50	FIBA	
Cc1ccc(NC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cc1F	1001900	NWGZBCNUIJNRAI-UHFFFAOYSA-N	370.336	4.467	5	50	FIBA	
Cc1nn(CCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1[N+](=O)[O-]	1429843	FOYWSYWJXMAOLW-UHFFFAOYSA-N	371.224	4.134	5	50	FIBA	
Cc1cccc(-n2c(Cc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1	1157004	GEMHZKFRVMKXJS-UHFFFAOYSA-N	371.396	4.193	5	50	FIBA	
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])cc1	1185992	HXFCQIZRXSDQTA-UHFFFAOYSA-N	360.329	4.050	5	50	FIBA	
Cc1nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3Cl)cc2nc1C	4832657	PMDYIRXATGUTLQ-UHFFFAOYSA-N	371.780	4.165	5	50	FIBA	
Cc1cc(NC(=S)Nc2cccc([N+](=O)[O-])c2)ccc1Br	6963707	MZBFZKACUKCWBA-UHFFFAOYSA-N	366.240	4.475	5	50	FIBA	
CCC[C@@H](C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	1049140	CMJJWBHALYRACQ-MRVPVSSYSA-N	354.819	4.256	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(F)c(Cl)c1	6953706	UUZZJBGFLATMIL-UHFFFAOYSA-N	355.778	4.205	5	50	FIBA	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5094372	YKWZMPSXZLFFRT-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
Cc1c(C(=O)NCCSCc2ccccc2Cl)cccc1[N+](=O)[O-]	5017631	NLGDHDRTZVRDNT-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
COc1cc2c(cc1OC)C1(CCCC1)CN[C@@H]2c1ccc([N+](=O)[O-])cc1	19312881	KVEIQKZBFJMKFL-HXUWFJFHSA-N	368.433	4.116	5	50	FIBA	biogenic
O=C(Nc1ccccc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	755515	UHDQEOCLBQQKAK-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c3c(c(=O)oc12)CCC3	2290453	OCYWWYJGFGTKMV-UHFFFAOYSA-N	351.358	4.077	5	50	FIBA	
O=[N+]([O-])c1ccccc1-c1ccc(NC(=S)NCc2ccco2)cc1	1118294	DGNCKKOOUMMDME-UHFFFAOYSA-N	353.403	4.341	5	50	FIBA	
O=C(Nc1nnc(CC2CCCC2)s1)c1cc(Cl)ccc1[N+](=O)[O-]	2789406	RERQGOLWBWYFGG-UHFFFAOYSA-N	366.830	4.085	5	50	FIBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl	2946977	SRRZSUWLGLOLJE-KGLIPLIRSA-N	351.189	4.121	5	50	FIBA	
CCCc1ccc(OCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	4423001	LCUDFROONBISRH-UHFFFAOYSA-N	372.421	4.354	5	50	FIBA	
Cc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccccc2[N+](=O)[O-])c(C)c1	17073589	IPGVWEDVZKANET-OAHLLOKOSA-N	356.422	4.246	5	50	FIBA	
O=C(Nc1ccccc1)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]	670430	AWRRBNAYBIGQTK-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1	608245	IXWDUZLHWJKVPX-UHFFFAOYSA-N	358.140	4.467	5	50	FIBA	in-man
O=C(Nc1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1)c1ccccc1	2149527	SXHSXUJZDOVNJP-UHFFFAOYSA-N	363.329	4.422	5	50	FIBA	in-vitro
CC(C)(O)COc1ccc2c(Oc3ccc([N+](=O)[O-])cc3F)ccnc2c1	143489408	ISCMIHAYGCEAEX-UHFFFAOYSA-N	372.352	4.224	5	50	FIBA	
Cc1ccc(CN2CC[C@H](CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)C2)s1	328593477	AOUWOKICYYNHKK-IAGOWNOFSA-N	373.522	4.480	5	50	FIBA	
CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1	1893726	HJFFKRXJHNQSBI-UHFFFAOYSA-N	373.415	4.235	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)C(c1ccccc1)c1ccccc1	4991282	WJENPZVTQRNDHV-UHFFFAOYSA-N	362.385	4.374	5	50	FIBA	
Cc1ccc(CSCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	2991306	STFAJHYNZGPWCM-UHFFFAOYSA-N	364.854	4.220	5	50	FIBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl	944911	AXMYIHPZFADZFG-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
CS[C@H]1CCC[C@H](NCc2ccc(Br)c([N+](=O)[O-])c2)C1	117393994	PMEJHDPAIAHGNR-RYUDHWBXSA-N	359.289	4.121	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl	239433377	XPDKBYXIHXVCHA-ZSAUSMIDSA-N	369.248	4.389	5	50	FIBA	
O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccs1	1186155	FBMZXNQVFABRHY-UHFFFAOYSA-N	367.386	4.161	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl	2906688	SHFZVGNGAINVNE-HUUCEWRRSA-N	365.216	4.429	5	50	FIBA	
O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCCc2ccccc21	4820668	AQRPERGZMIDQJA-UHFFFAOYSA-N	365.433	4.178	5	50	FIBA	
Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-]	1197846	CBPATMWEHKLLFL-UHFFFAOYSA-N	357.366	4.418	5	50	FIBA	
COc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12	3213885	VQIYZNPECGNTPJ-UHFFFAOYSA-N	363.782	4.119	5	50	FIBA	
O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)NCCc1c[nH]c2ccccc12	2049243849	JFAKOTDBVBAJIO-UHFFFAOYSA-N	369.808	4.102	5	50	FIBA	
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CN3CCCCC3)cc2)c1	1118489	DVVMKTFVPCZPAQ-UHFFFAOYSA-N	370.478	4.390	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1Br)c1ccc([N+](=O)[O-])cc1	2841939	FKIATXUAKPTMMN-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
CCc1ccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)cc1	4980352	WKFMHLFGKKHQTM-UHFFFAOYSA-N	356.403	4.111	5	50	FIBA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5094374	YKWZMPSXZLFFRT-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
Cc1cc(Br)cc(C)c1OC(=O)c1ccccc1[N+](=O)[O-]	2858250	GBVIUAOMTJVLOJ-UHFFFAOYSA-N	350.168	4.193	5	50	FIBA	
COc1cc(OC)c(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl	1753406	LFWLXQPAHNQHLV-UHFFFAOYSA-N	365.773	4.218	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl	4662683	AXNUEXXEQGQWPA-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	in-vitro
COc1ccc([N+](=O)[O-])cc1NC(=O)CCSc1ccc(Cl)cc1	1147886	XMWPTOSICPDBCZ-UHFFFAOYSA-N	366.826	4.378	5	50	FIBA	
CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc1	4978473	CCRLJEBVTQZTOW-UHFFFAOYSA-N	368.433	4.461	5	50	FIBA	
CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1	1122770	QWZHTUZEPFQGKC-KRWDZBQOSA-N	357.797	4.336	5	50	FIBA	
Cc1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	850634	LBGWAYXKADECLA-UHFFFAOYSA-N	374.352	4.496	5	50	FIBA	
O=[N+]([O-])c1cc(Br)cc(-c2nc3ccccc3s2)c1O	5013831	NUBQYHUNJBSOOS-UHFFFAOYSA-N	351.181	4.340	5	50	FIBA	
O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(Br)cc2F)c1	6970323	ADSLQKPSSLGJRG-UHFFFAOYSA-N	370.203	4.305	5	50	FIBA	
Cc1ccc(CN2CC[C@@H](CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)C2)s1	328593478	AOUWOKICYYNHKK-IRXDYDNUSA-N	373.522	4.480	5	50	FIBA	
O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)cc1[N+](=O)[O-]	2749743	JMYRVJKHGXRTEN-UHFFFAOYSA-N	366.629	4.196	5	50	FIBA	
Cc1ccc(C)c(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1	1194568	YYXBLNOUUFRXHH-NVNXTCNLSA-N	356.765	4.210	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])o1	2745238	LGNQIHDYGLLFDX-UHFFFAOYSA-N	370.748	4.325	5	50	FIBA	
CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	1130884	FLXUEORPPOURLO-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	
O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1cccs1	1146236	SKWJDCZVGBQJAR-UHFFFAOYSA-N	367.386	4.161	5	50	FIBA	
C[N+](C)([O-])CCO[C@H](c1ccccc1)c1ccc(Br)cc1	104121372	IUEDGADEVAFNHF-QGZVFWFLSA-N	350.256	4.129	5	50	FIBA	
O=[N+]([O-])c1cccc(Cl)c1CSc1nnnn1C1CCCCC1	4870057	MHYQFCSOCVGQHH-UHFFFAOYSA-N	353.835	4.032	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3ccc(Cl)cc3)CC2)c1	55543114	QBFXEBMZEJPZSJ-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCCOc1ccc(C)cc1	1904056	UGKIIKKAVPAFOS-VAWYXSNFSA-N	371.389	4.016	5	50	FIBA	
COc1ccc(NC(=O)CCSc2ccc(Cl)cc2)c([N+](=O)[O-])c1	4839920	LTOKETHRDUAQPZ-UHFFFAOYSA-N	366.826	4.378	5	50	FIBA	
O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc12	4980370	MHNGZXSLGXBEQS-UHFFFAOYSA-N	362.794	4.202	5	50	FIBA	
O=[N+]([O-])/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	1073228	IQUZWEOYQZOZOD-VOTSOKGWSA-N	352.159	4.415	5	50	FIBA	
O=C(NC1CCCCC1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1	6690863	LTBPHKWBBQXVLK-UHFFFAOYSA-N	367.449	4.312	5	50	FIBA	
Cc1c(O)ccc2c1oc1c(-c3ccc(C(=O)O)cc3)c3cnn(C)c3nc12	253408763	LAXSBGLWENUYLG-UHFFFAOYSA-N	373.368	4.247	5	50	FIBA	biogenic
C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])c1ncc(-c2ccccc2)o1	301378961	XTQHRJDKGGUOTN-JTQLQIEISA-N	355.379	4.132	5	50	FIBA	
O=C(O)c1cc([N+](=O)[O-])c(C(=O)O)cc1Oc1ccc(Cl)cc1Cl	813275	FPGLOEFBBNEWMN-UHFFFAOYSA-N	372.116	4.090	5	50	FIBA	
Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(Br)c1	959525	WBSSUHGFECUFDW-UHFFFAOYSA-N	350.168	4.193	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1	104225868	CWWRMJIAEZLGPB-UHFFFAOYSA-N	373.108	4.462	5	50	FIBA	
Cc1cc(C(=O)Nc2cccc(Cn3cc(Cl)cn3)c2)ccc1[N+](=O)[O-]	1055839	YFPGSFZFUSLVCW-UHFFFAOYSA-N	370.796	4.054	5	50	FIBA	
COc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	5041376	CTKSTKSXVBRWNG-UHFFFAOYSA-N	371.340	4.431	5	50	FIBA	
Cc1ccc(NC(=O)c2ccccc2OCc2ccc([N+](=O)[O-])cc2)nc1	1124082	MYPJYLWCTQAIJA-UHFFFAOYSA-N	363.373	4.130	5	50	FIBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1F	1131417	QCYWHJXMZGILOX-VMPITWQZSA-N	365.158	4.148	5	50	FIBA	
O=[N+]([O-])c1ccc(OC(C(F)(F)F)C(F)(F)F)c(Br)c1	169725389	AXUOEKKIHWSYPO-UHFFFAOYSA-N	368.027	4.229	5	50	FIBA	
CCn1cc(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c2ccccc21	492870554	HLFRJNLQRQTQCA-UHFFFAOYSA-N	363.417	4.374	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(OC(F)(F)F)cc1	1218548	HYVNKPZOLBFVMD-RUDMXATFSA-N	352.268	4.145	5	50	FIBA	
CCOc1cc(NCc2ccccc2)c([N+](=O)[O-])cc1Br	74937727	AVKYKIKHFLRLSL-UHFFFAOYSA-N	351.200	4.368	5	50	FIBA	in-vitro
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncccc1OCc1ccccc1	5331681	LVGIASYHZSVGII-UHFFFAOYSA-N	364.361	4.213	5	50	FIBA	
CC[C@@H](C)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1	1097974	ZEQARQPRCXUWBU-GFCCVEGCSA-N	356.378	4.147	5	50	FIBA	
Cc1ccc(-c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	2022827	XJPKVZDDSDNZML-UHFFFAOYSA-N	369.398	4.338	5	50	FIBA	
Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1[N+](=O)[O-]	2991323	BSNRQJGIVRXOPL-UHFFFAOYSA-N	350.827	4.079	5	50	FIBA	
Cc1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c(Br)c1	6964472	AVKRWWKFCHYLHD-UHFFFAOYSA-N	366.240	4.475	5	50	FIBA	
Cc1ccc([N+](=O)[O-])c(OCCN2CCC(Cc3ccccc3)CC2)c1	1064733	FXBLCNQDCJPYSD-UHFFFAOYSA-N	354.450	4.237	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cc(C(F)(F)F)ccc1F	5061144	UGYZWASCCJHLGW-UHFFFAOYSA-N	373.262	4.405	5	50	FIBA	
Cc1cc(C)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c(Cl)c1	1186212	XRLDGTUIOUSCNT-UHFFFAOYSA-N	352.749	4.022	5	50	FIBA	
CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	1129661	LELWJQFFRMJVAL-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	
CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1	1148393	FEOJJYXUABTYOS-UHFFFAOYSA-N	369.450	4.197	5	50	FIBA	
O=C(COc1ccccc1[N+](=O)[O-])N(C1CCCCC1)C1CCCCC1	942624	XSBHVLIXJZTJJD-UHFFFAOYSA-N	360.454	4.468	5	50	FIBA	
Cc1cc(C(F)(F)F)n(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)n1	1407177	LQPXWLCQQFVLHY-UHFFFAOYSA-N	354.313	4.231	5	50	FIBA	
CCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OCC	2845040	DSKXLMVPRAATLN-UHFFFAOYSA-N	355.350	4.109	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1	1217984	FSBRDNKHBXQMBX-OUKQBFOZSA-N	359.385	4.236	5	50	FIBA	
Cc1occc1C(=O)Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1	1054866	JGQIJNDHDQYSEQ-UHFFFAOYSA-N	371.374	4.062	5	50	FIBA	
O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	1211190	TZCJCJPQSBXXEG-UHFFFAOYSA-N	367.792	4.486	5	50	FIBA	aggregator
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(Br)ccc1Cl	1168048	RNUVKCCZKANHPD-UHFFFAOYSA-N	373.565	4.402	5	50	FIBA	
Cc1nn2c(-c3ccc(Cl)c([N+](=O)[O-])c3)ccnc2c1Br	1396011	JIRJGGGFAQLWRN-UHFFFAOYSA-N	367.590	4.029	5	50	FIBA	
C[C@H](N[C@@H]1CCO[C@H]1c1ccccc1)[C@H](C)Cc1ccccc1[N+](=O)[O-]	252523272	CFPOJLGOGLPIRB-ZEVBXJOLSA-N	354.450	4.282	5	50	FIBA	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccnc1Cl	995022	RFNXHOMSXWAQCT-UHFFFAOYSA-N	360.782	4.019	5	50	FIBA	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1	1115195	HMFHXRLSEKUCKN-SNVBAGLBSA-N	352.749	4.102	5	50	FIBA	
CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC	4615248	DBCDPILHVUKUBW-UHFFFAOYSA-N	374.393	4.043	5	50	FIBA	
COc1cc(C)c(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)c1C	241470662	NWWRNZBVVRQMFV-UHFFFAOYSA-N	360.435	4.259	5	50	FIBA	
CCn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1	1148441	GVXIKCRLQKBXBS-UHFFFAOYSA-N	354.435	4.089	5	50	FIBA	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	5041587	SSMYMWCIYFTGKA-CYBMUJFWSA-N	358.394	4.134	5	50	FIBA	
O=C(NCCc1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1	17073261	LXDSMUBRIAKZLG-UHFFFAOYSA-N	354.193	4.266	5	50	FIBA	
C[N@+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@@H](c2ccccc2)C1	245257389	ZGCCWLQRVUYKHK-YKSBVNFPSA-N	366.481	4.055	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1	252460992	JSAHWRWJVNYPMA-LSWJPFSZSA-N	360.518	4.287	5	50	FIBA	biogenic
O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	1185946	AIIOGEWWLDMEPX-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4566422	ICDDGGRMSXGESI-UHFFFAOYSA-N	370.243	4.166	5	50	FIBA	
CC[C@@H](c1ccc([N+](=O)[O-])c2ncccc12)S(=O)(=O)c1ccc(C)cc1	1130768	OBTCNMCGZYFGOL-SFHVURJKSA-N	370.430	4.376	5	50	FIBA	
COc1ccc(C2(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC	4725630	LNDILZQJLQJWQY-UHFFFAOYSA-N	370.405	4.063	5	50	FIBA	
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc12	1168215	HLXBCAAKIYNUFL-UHFFFAOYSA-N	369.329	4.045	5	50	FIBA	biogenic
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1C(F)(F)F	1753308	HVYXGDUHIHUYAP-UHFFFAOYSA-N	355.272	4.266	5	50	FIBA	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Oc2ccccc2)cc1	705203	QPJBILZCEAUTSD-UHFFFAOYSA-N	360.325	4.188	5	50	FIBA	
O=C(c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2-c2ccccc2C1=O	1202966	YWQVQUXCUIQDBP-UHFFFAOYSA-N	358.353	4.058	5	50	FIBA	
O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1Cl	1207417	GTWVUVBZFPOABQ-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
Cc1nc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)n1Cc1ccccc1	854054	FFCYAGZZQDETHY-UHFFFAOYSA-N	365.418	4.176	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1cccc2cccnc12	4117139	AZBIQQHTTHQUND-UHFFFAOYSA-N	367.430	4.131	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCSc1ccc(Cl)cc1	4834710	UPCYKWZFNJPROS-UHFFFAOYSA-N	366.826	4.378	5	50	FIBA	
Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	1138178	BNCLZVUOERWONC-UHFFFAOYSA-N	368.172	4.250	5	50	FIBA	
CCN(CC)c1cc(Nc2ccccc2Cl)c([N+](=O)[O-])c2nonc12	4131765	PGSFOJRGIRHXGV-UHFFFAOYSA-N	361.789	4.374	5	50	FIBA	
CC(C)C(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2Br)cc1	1875341913	OELJPUZRLYICQV-UHFFFAOYSA-N	365.183	4.383	5	50	FIBA	
O=C(Nc1cccc(Br)c1)c1ccc(Cl)cc1[N+](=O)[O-]	834110	DBVBHQMUWWQDHI-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSc1ccc(Cl)cc1	2981865	PEMYNDNPJRZMBK-RUDMXATFSA-N	362.838	4.170	5	50	FIBA	
CC(=O)Nc1cccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)c1	5063809	KLPLLRTUAPBHEM-UHFFFAOYSA-N	354.391	4.420	5	50	FIBA	
CC(=O)Nc1cc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl	14007254	HBKZWJNBWLBBBP-UHFFFAOYSA-N	355.177	4.439	5	50	FIBA	
COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OC(F)F	6641898	OHDJDDXOZDNVGW-UHFFFAOYSA-N	372.711	4.111	5	50	FIBA	
Cc1c(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cccc1[N+](=O)[O-]	2978774	BWHSXSYWJNCFHW-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=C(O[C@@H]1CCCCC[C@@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1	4566646	YAJGCPFGWLSEBN-IEBWSBKVSA-N	360.454	4.186	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1	104229275	KOPZKIAQJZCVME-UHFFFAOYSA-N	372.215	4.174	5	50	FIBA	
COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1	5065627	KGQPBJHFQIXIPO-CYBMUJFWSA-N	372.421	4.307	5	50	FIBA	
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)cc1Cl	752658	UWIZKVCWTRIDRJ-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
N=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H](C(Cl)(Cl)Cl)S1	1228699	RWAXHCZXKNGEFW-VIFPVBQESA-N	352.630	4.194	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1OC(=O)c1ncoc1-c1ccccc1Cl	170640162	BXRWKCSIBMBDIQ-UHFFFAOYSA-N	358.737	4.431	5	50	FIBA	
Cc1cc(Br)ccc1NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1	1141255	KYQHLZFZHBCKLM-LLVKDONJSA-N	363.211	4.408	5	50	FIBA	
COc1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl	1753405	IINPKBQMOCBYCC-UHFFFAOYSA-N	365.773	4.218	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1	5123718	LWAPRXOTMIIOEF-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(C(F)(F)F)cc1	5062870	MWUPYAHBLGSNQW-UHFFFAOYSA-N	355.272	4.266	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1	1065764	UHLHHTUQVDXJGP-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
O=C(Nc1nnc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl	2818696	WLEHRPVHOPXPBR-UHFFFAOYSA-N	366.830	4.400	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2859820	LRJMTJTZSWJNOW-UHFFFAOYSA-N	357.105	4.029	5	50	FIBA	
CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC	4043740	QEMIHHBBSBWWTC-UXBLZVDNSA-N	370.405	4.353	5	50	FIBA	
CCc1cc(=O)oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc12	1150483	CIFNSVBZNKUCLW-UHFFFAOYSA-N	359.765	4.496	5	50	FIBA	
CCCc1cc(C(=O)OCC)c(NC(=O)c2cccc([N+](=O)[O-])c2)s1	1002165	OROFDJVTGJUHLD-UHFFFAOYSA-N	362.407	4.038	5	50	FIBA	
CCN(CCNc1ccc([N+](=O)[O-])cc1Cl)C(=O)c1ccc(C)cc1	4170582	AGZOWWUNQWVQDE-UHFFFAOYSA-N	361.829	4.131	5	50	FIBA	
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1	1005377	ZPWWTIFVXWGLFU-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1312680	GQSDVYZLVKOLHF-UHFFFAOYSA-N	364.313	4.389	5	50	FIBA	
Cc1ccc(Cc2cnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1	4075991	JUOMTLAJLXGQAL-UHFFFAOYSA-N	353.403	4.203	5	50	FIBA	
Cc1ccc(-c2nc3n(n2)C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)S3)cc1	1151809	HBUMYZBRQSSBIF-OAHLLOKOSA-N	366.402	4.039	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1	5061087	LDYZUERZHVJPCS-UHFFFAOYSA-N	371.271	4.146	5	50	FIBA	
CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	2741393	CVZJDTIADJUVFW-AWNIVKPZSA-N	368.389	4.204	5	50	FIBA	
O=C(COc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccc(F)cc1	4806043	DBIIOYLXJVYBJN-UHFFFAOYSA-N	364.328	4.053	5	50	FIBA	
O=[N+]([O-])c1ccc(CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)cc1	253428109	IEMSPSPSVHSUIY-QGZVFWFLSA-N	356.813	4.462	5	50	FIBA	
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(Cl)c1	870620	YROXXDKTNRTYTA-UHFFFAOYSA-N	352.733	4.202	5	50	FIBA	
COc1cc(CN(C)Cc2cccc3ccccc23)cc([N+](=O)[O-])c1O	1225379	POTLAKRRQUXMMK-UHFFFAOYSA-N	352.390	4.094	5	50	FIBA	
O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)o3)no2)ccc1Cl	4686668	ONQJXDMCEXETRW-UHFFFAOYSA-N	370.546	4.321	5	50	FIBA	
O=c1c2cc(-c3ccccc3)sc2ncn1Cc1ccc([N+](=O)[O-])cc1	955633	UNESYZXOZOKXHY-UHFFFAOYSA-N	363.398	4.082	5	50	FIBA	
O=[N+]([O-])c1c(N(Cc2ccccc2)Cc2ccccc2)ccc2nonc12	4977300	GQVZMGOSAQLGNG-UHFFFAOYSA-N	360.373	4.338	5	50	FIBA	
O=[N+]([O-])c1c(Br)cccc1OC(C(F)(F)F)C(F)(F)F	169725370	JUMUVFQQOHWBPX-UHFFFAOYSA-N	368.027	4.229	5	50	FIBA	
CN(C)c1cc(F)c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	242339067	ZERFLGVWGQDOJQ-UHFFFAOYSA-N	372.183	4.359	5	50	FIBA	
Cc1nn(C(=O)c2ccc(F)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1	1212703	MQUDIPYUYCODBA-UHFFFAOYSA-N	371.393	4.387	5	50	FIBA	
CC(=O)N1C[C@@H]2CC[C@H](C1)CN2C(=O)c1c2ccccc2cc2ccccc12	247971626	YSWVNBFYYUCMPT-XLIONFOSSA-N	372.468	4.076	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl	2906691	SHFZVGNGAINVNE-GJZGRUSLSA-N	365.216	4.429	5	50	FIBA	
CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	17073009	NIAIGAMQYZROHF-LLVKDONJSA-N	352.387	4.048	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1	4007874	HGHZOEBXPAATOC-UHFFFAOYSA-N	365.477	4.443	5	50	FIBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc(F)cc2)CC1	4409860	JUUNRLZSUAUJDU-UHFFFAOYSA-N	369.318	4.079	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1COc1ccc2c(C)c(C)c(=O)oc2c1C	1143138	LJXKGHYORNUCJK-UHFFFAOYSA-N	369.373	4.214	5	50	FIBA	
CCOc1cc(OCC)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	1207839	VPVJMOMSAUXMOA-UHFFFAOYSA-N	364.785	4.298	5	50	FIBA	
Cc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-]	1100771	AHUJBGKLOVUILH-UHFFFAOYSA-N	361.353	4.353	5	50	FIBA	
COc1cc2c(cc1OC)C1(CCCC1)CN=C2c1ccc([N+](=O)[O-])cc1	1180731	BHHMFHBAGYTDGC-UHFFFAOYSA-N	366.417	4.275	5	50	FIBA	
O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])cc1	1167306	RGQUJTKUCJLFTP-UHFFFAOYSA-N	367.386	4.161	5	50	FIBA	
CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	1174669	HKYUNRLRCICHAN-LBPRGKRZSA-N	357.435	4.235	5	50	FIBA	
Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)c1	4980353	XSCXQTPETONYRL-UHFFFAOYSA-N	356.403	4.166	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1Cl	5427588	KOKXMPSLDWDOFD-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F	1120055	JBJDQKXKIBPWCA-UHFFFAOYSA-N	358.703	4.448	5	50	FIBA	
Cc1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-]	2857537	RXQCKZXXRKAMOT-UHFFFAOYSA-N	360.167	4.383	5	50	FIBA	
O=C(Nc1ccccc1Br)c1ccc([N+](=O)[O-])c(Cl)c1	1216257	DVYXMLXTLYDFDR-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=[N+]([O-])c1ccc(Oc2cc(-n3cccn3)nc(-c3ccccc3)n2)cc1	23114652	LUBBKICAKPQVIL-UHFFFAOYSA-N	359.345	4.030	5	50	FIBA	
C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc2ccccc12	2568267	RUUPGHVIODHXRI-GFCCVEGCSA-N	365.345	4.147	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(C)ccc1C(C)C	4700940	UPTFDRWBPXRQHT-UHFFFAOYSA-N	358.394	4.053	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](c2ccccc2)C1(Cl)Cl	4860500	RSGFLVVZBNZJKO-UONOGXRCSA-N	351.189	4.121	5	50	FIBA	
O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc([N+](=O)[O-])c1	1396260	HZRSWLXYPHORCJ-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
Cc1cc(-c2ccccc2)nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1	2884969	DYYLUILEQOFINV-UHFFFAOYSA-N	365.414	4.335	5	50	FIBA	
O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)cc2c2c1CCC2	944043	REJDRTRWHDAQNM-UHFFFAOYSA-N	371.776	4.422	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@]1(c2ccccc2)CC1(Cl)Cl	4358497	VKPJLBNQWMJTSG-OAHLLOKOSA-N	351.189	4.049	5	50	FIBA	
Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2Cl)s1	5717537	DPBLLXOFUULZBU-UHFFFAOYSA-N	374.809	4.206	5	50	FIBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(Br)o1	4670399	GWCSEKHCAMVRNN-UHFFFAOYSA-N	359.563	4.164	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C)c(Cl)c1	5041976	OOFROVPJFRWDSI-UHFFFAOYSA-N	351.815	4.374	5	50	FIBA	
CCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	4043982	OOANEYATRHKSAX-IZZDOVSWSA-N	356.378	4.044	5	50	FIBA	
CCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1	2738923	JGGZBRDKFKRYJJ-UHFFFAOYSA-N	362.769	4.067	5	50	FIBA	
Cc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c1	4142545	INVDZMLQVYHNCX-PKNBQFBNSA-N	373.368	4.366	5	50	FIBA	
Cc1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Br	5041877	SWINQYOHSUBBTF-UHFFFAOYSA-N	350.172	4.310	5	50	FIBA	
C[C@@H](NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1	834562	TXCXNYPITHPKSJ-LLVKDONJSA-N	373.459	4.174	5	50	FIBA	
Cc1n(Cc2ccccc2)c2cc([N+](=O)[O-])ccc2[n+]1Cc1ccccc1	1229607	OVSYKFCQMJMQHP-UHFFFAOYSA-N	358.421	4.242	5	50	FIBA	
COc1ccc(C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)cc1	2252649	ZFUBZSKSHHPXNK-UHFFFAOYSA-N	360.365	4.482	5	50	FIBA	
CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	17073010	NIAIGAMQYZROHF-NSHDSACASA-N	352.387	4.048	5	50	FIBA	
Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cccc([N+](=O)[O-])c1	1398640	YQRVBHMYUSGXHL-UHFFFAOYSA-N	374.809	4.262	5	50	FIBA	in-vitro
O=C(Nc1cc(Oc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(O)cc1	652267	FKRBBWCVLHHOLL-UHFFFAOYSA-N	350.330	4.345	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-]	1185058	AZFZMBAHIGYBCJ-UHFFFAOYSA-N	354.284	4.265	5	50	FIBA	
COc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2)n1	3880352	OPBLCXZKWHRVSL-UHFFFAOYSA-N	351.366	4.189	5	50	FIBA	
Cc1c(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cccc1[N+](=O)[O-]	1167135	IXFNABREBSHCMQ-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=c1cc(C(F)(F)F)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2o1	1216779	OCCHEMPUDVTSBN-UHFFFAOYSA-N	365.263	4.299	5	50	FIBA	
COC(=O)c1ccc(COc2ccc3c(oc(=O)c4ccccc43)c2C)o1	1147025	OTZSJWOVRMRQCG-UHFFFAOYSA-N	364.353	4.213	5	50	FIBA	biogenic
O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc([N+](=O)[O-])cc1	1181206	YKKBADLZWGNBTO-UHFFFAOYSA-N	364.386	4.223	5	50	FIBA	
C[C@H]1CCc2c(sc3nc4c5ccccc5c(Cl)nn4c(=O)c23)C1	628128	KVBBNGUBITWBFT-VIFPVBQESA-N	355.850	4.236	5	50	FIBA	
Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-]	672159	UNXKNMMCHUBPPV-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1Cl	4740940	MZHQWSMBTWBJAN-UHFFFAOYSA-N	368.220	4.052	5	50	FIBA	
CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	878028	RYCPXNMUPBOIDZ-GFCCVEGCSA-N	357.435	4.235	5	50	FIBA	
O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)OCc1ccccc1	944807	KQPAUCUBLRNBMX-UHFFFAOYSA-N	360.365	4.068	5	50	FIBA	
CCc1ccc(-c2csc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)cc1	657155	BZNVMRHGASOJAW-UHFFFAOYSA-N	367.430	4.462	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(c1ccccc1)c1ccccc1	2637092	NRKSHUDWCDVCBF-UHFFFAOYSA-N	362.385	4.374	5	50	FIBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(C2CCCCC2)cc1	2748874	WPMQWUYCQVCIHY-UHFFFAOYSA-N	361.419	4.410	5	50	FIBA	
O=C(Oc1ccc(Br)cc1Cl)c1ccccc1[N+](=O)[O-]	1118252	ZYLUPXHTJCQZOY-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
CC(=O)c1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	2970357	PFAMZFLIZLKOEB-UHFFFAOYSA-N	350.330	4.310	5	50	FIBA	
CCOc1ccc(C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	4575553	OTCOXHSBSWHAIM-UHFFFAOYSA-N	354.406	4.215	5	50	FIBA	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1C[C@H]1c1ccccc1	1218067	SHSAPKUWCJFHBR-HOTGVXAUSA-N	365.414	4.461	5	50	FIBA	
Cc1cc(-c2noc(COc3ccccc3[N+](=O)[O-])n2)c2ccccc2n1	1426804	KZVNLHMFIJIKNL-UHFFFAOYSA-N	362.345	4.080	5	50	FIBA	
CCOc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1O	5318666	AMSKJVQFXSGUQJ-UHFFFAOYSA-N	356.385	4.431	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1	4990258	MMLALFHMAFFDEE-QPJJXVBHSA-N	371.868	4.079	5	50	FIBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1csc(-c2ccc(C)n2C)n1	121594957	JXSOKOCDMREYFL-UHFFFAOYSA-N	370.434	4.234	5	50	FIBA	
O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21	4810384	ABPCMZBQQRBVIF-UHFFFAOYSA-N	365.433	4.178	5	50	FIBA	
O=C(Oc1ccc(Br)cc1Cl)c1cccc([N+](=O)[O-])c1	1145609	OIROXTRPXQKXTO-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1C1CCCCC1	1199686	ZGZLGFDHAMNHLQ-UHFFFAOYSA-N	366.373	4.316	5	50	FIBA	
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1[N+](=O)[O-]	1204002	CZRJCYXUNNEJKR-UHFFFAOYSA-N	358.357	4.390	5	50	FIBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1	1234720	GXYALGZHAUBWEX-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CCCCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-]	2862046	HHBZKTRVGGHTDQ-UHFFFAOYSA-N	357.797	4.290	5	50	FIBA	
O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1Cc1ccccc1	4371555	TXQNJFNBTXKEFJ-ZRDIBKRKSA-N	373.368	4.116	5	50	FIBA	
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc(C)c1	4841371	SJORIFLJUXMCAB-UHFFFAOYSA-N	354.435	4.474	5	50	FIBA	
C[N@+]1(Cc2cc3c(cc2Cl)OCO3)CCc2[nH]c3ccccc3c2C1	253389779	CUTVRWJYIZPKLM-HSZRJFAPSA-N	355.845	4.253	5	50	FIBA	biogenic
O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1Cl	1433760	DPMKXLDCKIVWHS-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
COc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1Br	4827283	ZALTVHWPEYCKJJ-UHFFFAOYSA-N	366.171	4.010	5	50	FIBA	
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1	4984024	UZMLQXPGANGLHO-UHFFFAOYSA-N	353.422	4.392	5	50	FIBA	
Cn1ncc2cc(Oc3ccc([N+](=O)[O-])cc3F)c(Br)cc21	82049701	PVURLVXVVVMHMW-UHFFFAOYSA-N	366.146	4.175	5	50	FIBA	in-vitro
Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC(=O)c2cc(Cl)ccc21	85221466	NNCRQBJNAGEBDM-UHFFFAOYSA-N	358.781	4.180	5	50	FIBA	in-vitro
O=[N+]([O-])c1cccc(CNc2nnc(SCc3ccccc3)s2)c1	170596341	BONMXVNKHZSLNO-UHFFFAOYSA-N	358.448	4.351	5	50	FIBA	
Cc1sc2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c(=O)c2c1C	1198458	RALJILQNACHCRE-UHFFFAOYSA-N	367.386	4.437	5	50	FIBA	
O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1	11990369	GVEZHQDBCVNRSY-YLJYHZDGSA-N	361.357	4.430	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ccccc2)c1	4980329	AJFXFKRUSBJFGU-UHFFFAOYSA-N	368.414	4.371	5	50	FIBA	
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C=C(C)C	959457	UUZWVRMWCRLNRI-UHFFFAOYSA-N	374.418	4.405	5	50	FIBA	
COc1ccc(OC)c(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	1189243	NBGPLERQPYNBHG-UHFFFAOYSA-N	357.391	4.479	5	50	FIBA	
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	5021170	GCJUHYNRRFKXTB-UHFFFAOYSA-N	357.753	4.464	5	50	FIBA	
CCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc12	1463415	ZBGRXJOCVOHUCF-UHFFFAOYSA-N	369.329	4.045	5	50	FIBA	biogenic
Cc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1	947008	ZWEQFTCIIPQIJC-UHFFFAOYSA-N	369.402	4.044	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC1(c2ccccc2)CCCC1	1176471	DMMPLPWPKTZDLJ-VAWYXSNFSA-N	350.418	4.236	5	50	FIBA	
CCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)c([N+](=O)[O-])c1	5094227	HYVIDKLHIPZLTO-UHFFFAOYSA-N	367.361	4.209	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2)c1)c1ccccc1	4894174	SVHXDENDGCRHQY-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
Cc1c(O[C@@H](C(=O)O)c2ccccc2)ccc2c1oc(=O)c1ccccc12	622178	NFQYAASIUHLEDX-HXUWFJFHSA-N	360.365	4.459	5	50	FIBA	
Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cccc([N+](=O)[O-])c1	1124564	INXUVHBIFZFYKV-UHFFFAOYSA-N	358.737	4.431	5	50	FIBA	
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c1	1234552	DMHNCZDXJWGSOB-UHFFFAOYSA-N	360.435	4.443	5	50	FIBA	
C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)Cc1cccc3ccccc13)CCC2	253389788	FQTGQVXSCBPNGP-SFLYRZDNSA-N	352.498	4.335	5	50	FIBA	biogenic
COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)c1	4978234	QZNJQCUOBIUXMI-UHFFFAOYSA-N	369.421	4.236	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[C@@H]1c1ccccc1	4011999	SPIPIEFLKJJENW-OLZOCXBDSA-N	361.195	4.100	5	50	FIBA	
CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)cc1	4134562	YGIJKCWKBQVEKT-UHFFFAOYSA-N	356.403	4.111	5	50	FIBA	
O=C(Nc1ccc(O)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	1233588	PHWDKFYFXNLMGL-UHFFFAOYSA-N	350.330	4.345	5	50	FIBA	
Cn1cc([C@H](O)CNCc2c3ccccc3c(Cl)c3ccccc23)cn1	170642692	OVQHHFBSNFHGKF-HXUWFJFHSA-N	365.864	4.203	5	50	FIBA	
O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)NC3CCCCC3)cc12	4808569	KULBTFNHXXGFHJ-UHFFFAOYSA-N	374.418	4.105	5	50	FIBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1c2c(nc3ccccc13)CCCC2	1100054	PBANTDDDDCVWFG-UHFFFAOYSA-N	362.385	4.379	5	50	FIBA	
C[N@@+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@@H](c2ccccc2)C1	245257387	ZGCCWLQRVUYKHK-HYBUGGRVSA-N	366.481	4.055	5	50	FIBA	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1	1136456	MVHIAEASYYHQIB-UHFFFAOYSA-N	350.330	4.139	5	50	FIBA	
Cc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1Cl	1174595	XZYJDJPNBHOMMM-UHFFFAOYSA-N	350.827	4.429	5	50	FIBA	
CN(C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	5064037	ASHYAABSFWIZBX-UHFFFAOYSA-N	361.401	4.484	5	50	FIBA	
Cc1nn(CC(=O)N2c3ccccc3C=Cc3ccccc32)c(C)c1[N+](=O)[O-]	6668604	ISFGQNQHEWZAAL-UHFFFAOYSA-N	374.400	4.257	5	50	FIBA	
Cc1ccc(C)c(N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)c1	55292257	AVJLVFRUDSYORM-UHFFFAOYSA-N	359.857	4.187	5	50	FIBA	
O=C(Nc1ccc(F)cc1)c1ccc(COc2ccccc2[N+](=O)[O-])o1	2761287	GFBGLXZHMQPAOC-UHFFFAOYSA-N	356.309	4.158	5	50	FIBA	
Cc1c([C@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cccc1[N+](=O)[O-]	877851274	YUIGVPVYYKTPIK-FQEVSTJZSA-N	374.400	4.065	5	50	FIBA	
O=C(NCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl	668786	PFBVYYIKSRKMPO-UHFFFAOYSA-N	359.596	4.485	5	50	FIBA	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	1174779	CISVCZVQXKYXSJ-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1	252539840	OMWKZESJBNYCOR-CVGURMSBSA-N	372.387	4.380	5	50	FIBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O	1099245	JZTYKRDPGSLWRV-UHFFFAOYSA-N	359.337	4.163	5	50	FIBA	
O=Cc1c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc2ccccc12	1161757	ZVFLTMWRFHWEDS-UHFFFAOYSA-N	355.733	4.433	5	50	FIBA	
O=C(Nc1cccc2ncccc12)c1ccc(Br)c([N+](=O)[O-])c1	1164327	YDBOUXFNWZYJTN-UHFFFAOYSA-N	372.178	4.158	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccc(CN(CC)CC)cc2)cc1[N+](=O)[O-]	2853479	BNNHGFONBSFLOC-UHFFFAOYSA-N	371.437	4.088	5	50	FIBA	
O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2C[C@@H]2CCCO2)CCCC3)c1	1077157	RASLDBYHHDUHJJ-HNNXBMFYSA-N	371.462	4.246	5	50	FIBA	
Cc1c(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cccc1[N+](=O)[O-]	1164921	ITYALHGIRTZDTG-UHFFFAOYSA-N	368.172	4.250	5	50	FIBA	
Cc1cccc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1C	4980756	ZJUUKACFGITXGM-RMKNXTFCSA-N	351.450	4.047	5	50	FIBA	
Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1	828022	OYBOCCOSSXACNT-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1	1116180	VHWXHOVLDPUYSP-UHFFFAOYSA-N	370.386	4.188	5	50	FIBA	
CCCCc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1	2984989	DINYAOIUVZTYFI-UHFFFAOYSA-N	366.373	4.296	5	50	FIBA	
CC[C@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	3137116	HQTXOJDWQSXEIR-SJCJKPOMSA-N	358.350	4.242	5	50	FIBA	
Cc1ccn2cc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1	13281931	BGHBWVDGJYOHQZ-UHFFFAOYSA-N	372.384	4.470	5	50	FIBA	
Cc1cc(OCc2ccc([N+](=O)[O-])cc2)c2c3c(c(=O)oc2c1)CCCC3	944806	ZFOUCGXCHMOGAD-UHFFFAOYSA-N	365.385	4.467	5	50	FIBA	biogenic
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1	943915	RZKWCMGWDUKEEI-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
COc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC	4123316	CUXRTRWFWXDJHN-UHFFFAOYSA-N	357.391	4.479	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cn1)[C@@H](Sc1ccccc1)c1ccccc1	4881714	YWATVWZAXCEHKR-SFHVURJKSA-N	365.414	4.462	5	50	FIBA	
CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@@H](C(C)(C)C)CC2	759034	RWUOUAMTJFPZOJ-ZDUSSCGKSA-N	364.445	4.451	5	50	FIBA	
O=C(NC1CCCCC1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	2769001	FWHRIXHJCLYBAE-UHFFFAOYSA-N	354.406	4.236	5	50	FIBA	
COC(=O)c1cc(COc2ccc3c(c2)oc(=O)c2ccccc23)c(C)o1	639263	YALBWXKWEMBGSL-UHFFFAOYSA-N	364.353	4.213	5	50	FIBA	
C[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1	1120240	UMUBDVYDQMMGQT-LLVKDONJSA-N	352.312	4.147	5	50	FIBA	
O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1ccc(Cl)cc1Cl	4557644	MSFJNMVRYYTNCT-QPEQYQDCSA-N	363.156	4.246	5	50	FIBA	
c1cnc(N2CCN(Cc3c4ccccc4cc4ccccc34)CC2)nc1	19632697	HZMOZANCXCVXPK-UHFFFAOYSA-N	354.457	4.105	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl	4583043	GDXJHFNDNMZMEA-UHFFFAOYSA-N	371.136	4.454	5	50	FIBA	
O=[N+]([O-])c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)c1	4267768	KGIQKKZYZJTEHB-XLIONFOSSA-N	361.357	4.430	5	50	FIBA	
CCCCc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1	2102846	AVVNVIJPLOFDOL-UHFFFAOYSA-N	368.393	4.028	5	50	FIBA	
O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1Cl	4474182	XNDOMYWOQXTYEJ-UHFFFAOYSA-N	368.220	4.134	5	50	FIBA	
O=[N+]([O-])c1cccc(OCCCN2CCC(Cc3ccccc3)CC2)c1	4833161	QCKHVNJOGWFAMO-UHFFFAOYSA-N	354.450	4.318	5	50	FIBA	
C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C2	252462874	WYWQCKGEIUFJRD-AERCQKQUSA-N	350.482	4.132	5	50	FIBA	biogenic
CCOc1ccc2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2c1	4814253	DGLWBTYTEJXNLZ-UHFFFAOYSA-N	357.391	4.164	5	50	FIBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1	1106952	LTMYOOFKAWFYJE-DHZHZOJOSA-N	350.418	4.089	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1cc(C)c(Cl)c(C)c1	4795778	YIMVRPGVAKJBSN-UHFFFAOYSA-N	350.758	4.485	5	50	FIBA	
COc1ccc(-c2nccc3c2[nH]c2ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-]	96316109	VEXQFIVXOWSXCO-UHFFFAOYSA-N	364.317	4.208	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1	1128694	YPTJVSGKZZNCIM-UHFFFAOYSA-N	371.462	4.328	5	50	FIBA	
O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl	2978938	FCBNZMAKCASWNF-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
CCCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	1778155	NEDNLHYEHWIMGF-IZZDOVSWSA-N	356.378	4.044	5	50	FIBA	
O=c1[nH]c(-c2cc([N+](=O)[O-])ccc2Cl)nc2sc3c(c12)CCCC3	666176	IIGHGOTVBPNZNN-UHFFFAOYSA-N	361.810	4.092	5	50	FIBA	
Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2OC(F)(F)F)c1F	170610057	JKKKFVZMDFSQIE-UHFFFAOYSA-N	358.247	4.193	5	50	FIBA	
COc1ccc(-c2c3cn[nH]c3nc3c2oc2c(C)c(O)ccc23)cc1O	218305638	QZVLWNUFNGBLAR-UHFFFAOYSA-N	361.357	4.253	5	50	FIBA	
CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	1203979	SPDCIBCNWUGOAE-UHFFFAOYSA-N	361.785	4.239	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)cc1CN1CCN(C/C=C/c2ccccc2)CC1	4990261	LBSXTZCCTRWOJC-QPJJXVBHSA-N	371.868	4.079	5	50	FIBA	
CC1=CC(C)(C)Nc2ccc(OC(=O)COc3ccccc3[N+](=O)[O-])cc21	1791645	YCEJBAUTEBOUMK-UHFFFAOYSA-N	368.389	4.187	5	50	FIBA	
O=[N+]([O-])c1cnc(Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)nc1	225462170	RXGROWQPHFKDCU-UHFFFAOYSA-N	367.312	4.271	5	50	FIBA	
Cc1ccc(NC(=O)c2sc(N)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1	756484	HMEPGTZZFGZJNH-UHFFFAOYSA-N	368.418	4.170	5	50	FIBA	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)C[C@@H]1c1cccnc1	225603767	HWHHPICFLVIHHW-HNAYVOBHSA-N	355.438	4.360	5	50	FIBA	
CCOC(=O)c1c(C)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc12	1463413	CZFKWZSJBZTOOP-UHFFFAOYSA-N	355.346	4.405	5	50	FIBA	biogenic
O=[N+]([O-])c1ccc(Cc2noc(COc3cccc4ccccc34)n2)cc1	2836388	OCDWBBGYCYILFA-UHFFFAOYSA-N	361.357	4.301	5	50	FIBA	
O=C(CSc1ccccc1[N+](=O)[O-])Oc1ccc(Br)cc1	959443	PCGNAECHKPLNFQ-UHFFFAOYSA-N	368.208	4.055	5	50	FIBA	
O=C(NCCc1ccccc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl	1187894	UQODICXVWJRPKS-UHFFFAOYSA-N	360.822	4.435	5	50	FIBA	
CCCc1nc2sc3c(ncn4c(SC)nnc34)c2c2c1CCCC2	1251680	MOXZQYZSOLUWFB-UHFFFAOYSA-N	369.519	4.440	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1F	1185675	QFKQCNRXSVUEBL-QPJJXVBHSA-N	365.158	4.148	5	50	FIBA	
CCCC(=O)Nc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	5014224	FDKKVOUXMYDMMN-UHFFFAOYSA-N	361.785	4.239	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1O)C1[C@H]2CCC[C@H]1C2c1ccccc1	100729528	KLWWASWGFYIIME-GKVPXEHWSA-N	352.390	4.069	5	50	FIBA	
O=[N+]([O-])c1cc2c(O)ncnc2cc1Sc1nc(-c2ccccc2)co1	1875336938	KUZIZSVWUAWOOI-UHFFFAOYSA-N	366.358	4.050	5	50	FIBA	
C[C@@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	1120425	CNGAHDJJUZDLQB-JTQLQIEISA-N	353.205	4.435	5	50	FIBA	
Cc1ccc(C2=N/C(=C/c3ccc(C(C)C)c([N+](=O)[O-])c3)C(=O)O2)cc1	1206596	KWQAPQBXKCSYEQ-LICLKQGHSA-N	350.374	4.371	5	50	FIBA	
Cc1c(C(=O)NCCSc2ccc([N+](=O)[O-])cc2)oc2ccccc12	1857800634	MPBAIBOEVCOWEA-UHFFFAOYSA-N	356.403	4.172	5	50	FIBA	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)c1ccccc1	1135968	KIDZCNMZIAJWDU-UHFFFAOYSA-N	361.353	4.183	5	50	FIBA	
CCCCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC	2860543	IVKDBZDUHKYNME-UHFFFAOYSA-N	374.393	4.043	5	50	FIBA	
CCCCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	2982305	HVGIPDZZDCHOJF-UHFFFAOYSA-N	356.378	4.112	5	50	FIBA	
Cc1cccnc1NC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	4865741	HBULBURJYAGNPP-UHFFFAOYSA-N	354.410	4.295	5	50	FIBA	
CCCCC/C=C/C/C=C/CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	1500982092	REUVFPFCXKWJQA-URGHLWBSSA-O	368.538	4.332	5	50	FIBA	
Cn1c(Sc2ccc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(F)cc1	4841046	ZTZMSECWFUGNPK-UHFFFAOYSA-N	364.789	4.334	5	50	FIBA	
O=[N+]([O-])c1cc(CN2CCN(c3cccc(Cl)c3)CC2)ccc1Cl	55543499	HYRDQFAFQDBRJX-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc([N+](=O)[O-])cc1	711059	ZXYWQYWWEHZNQM-UHFFFAOYSA-N	371.352	4.424	5	50	FIBA	
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	873275	KKBWTCZWGJFYFI-UHFFFAOYSA-N	373.167	4.367	5	50	FIBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl	2981921	ZERLMMSAWKNSKY-FPYGCLRLSA-N	351.189	4.231	5	50	FIBA	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccco2)cc1	4998192	JNOBYKANILHGHY-UHFFFAOYSA-N	367.361	4.061	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CC[C@@H]3[C@@H](CC[C@H]21)C3(Cl)Cl	239433375	XPDKBYXIHXVCHA-KHMAMNHCSA-N	369.248	4.389	5	50	FIBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2)cc1	971839	RFAKYJWAQIUPFV-UHFFFAOYSA-N	369.402	4.139	5	50	FIBA	
COc1ccc(C2(CNCc3ccc([N+](=O)[O-])cc3)CCCC2)cc1OC	20790795	MNFCXZIRMYHULN-UHFFFAOYSA-N	370.449	4.214	5	50	FIBA	
CCOC(=O)Cn1c2ccccc2c2nc3cc4ccccc4cc3nc21	967862	AKCPGFVZRKPWCP-UHFFFAOYSA-N	355.397	4.454	5	50	FIBA	biogenic,in-vitro
O=[N+]([O-])c1cccc(F)c1CN(Cc1ccc(F)cc1)C1CCOCC1	225670086	LUOLIVAZBYLMNT-UHFFFAOYSA-N	362.376	4.054	5	50	FIBA	
O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	1178713	NIFLUKRVEQCURU-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
COc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(OC)c1	1158519	NCGOUKYZKROYPZ-UHFFFAOYSA-N	368.345	4.124	5	50	FIBA	
O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-]	1145523	ROLXQFSVSYWIRE-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=C(CCc1c[nH]c2ccccc12)OCc1ccc([N+](=O)[O-])cc1Cl	4833329	JLSLYRZNKAXLSQ-UHFFFAOYSA-N	358.781	4.406	5	50	FIBA	
O=C(Nc1ccccc1Br)c1cc([N+](=O)[O-])ccc1Cl	1227786	OIFCQSYBHDPIIF-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	861609	DGMVBWFDRAQPMT-UHFFFAOYSA-N	350.330	4.310	5	50	FIBA	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cc(C(F)(F)F)ccc1Cl	1178795	FDJCKZMDNWNFBY-UHFFFAOYSA-N	370.670	4.068	5	50	FIBA	
O=C(Nc1nnc(CC2CCCC2)s1)c1ccc(Cl)c([N+](=O)[O-])c1	2789160	KUZQPSCWLPQOIT-UHFFFAOYSA-N	366.830	4.085	5	50	FIBA	
Cc1nn(C(=O)Cc2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-]	947648	GYKPLQIKAMWKHY-UHFFFAOYSA-N	367.430	4.442	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1Cl	5568299	ZXXXJLNGWLJADD-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
CC(C)c1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	951561	SJYQWAVERIURAJ-UHFFFAOYSA-N	371.418	4.345	5	50	FIBA	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(Cl)c1	1138144	VQLASQJFHGRQOH-UHFFFAOYSA-N	354.790	4.259	5	50	FIBA	
Cc1c(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cccc1[N+](=O)[O-]	1161367	MDACCIHDAVSNMW-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
O=c1oc2ccccc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	2314860	PZSKLBMJWNFECG-UHFFFAOYSA-N	350.355	4.492	5	50	FIBA	
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1	1114265	JNFLDSPOVFVGHL-UHFFFAOYSA-N	358.825	4.343	5	50	FIBA	
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1[N+](=O)[O-]	841510	WVFHEGAAWHATGZ-UHFFFAOYSA-N	360.329	4.050	5	50	FIBA	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1	2856819	LKCOEORLVRRVOE-UHFFFAOYSA-N	370.352	4.486	5	50	FIBA	
Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Sc1ccccc1	655694	NBJSNDDCBONXFS-UHFFFAOYSA-N	353.403	4.248	5	50	FIBA	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(Cc2ccccc2)CC1	1230536	JQNNUDQIACWYOD-UHFFFAOYSA-N	358.825	4.343	5	50	FIBA	
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1Br	4309321	DADJHEDPEWIVDU-UHFFFAOYSA-N	351.200	4.286	5	50	FIBA	
O=C(COc1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1	1136666	WVEMYXXBSWVOPJ-UHFFFAOYSA-N	356.161	4.024	5	50	FIBA	
Cc1cc(Cl)ccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	100438390	KGGWHKRCNYFILL-UHFFFAOYSA-N	352.690	4.117	5	50	FIBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1	754146	XAQBXPWJWDSSSP-UHFFFAOYSA-N	354.387	4.063	5	50	FIBA	
C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4813567	CQPJXWKZQFHLHJ-SNVBAGLBSA-N	359.432	4.324	5	50	FIBA	
CCOc1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)c([N+](=O)[O-])c1	4904197	GCKCIVFCGSIDAE-VQHVLOKHSA-N	364.760	4.438	5	50	FIBA	
Cc1ccc([C@H](C)OC(=O)Cc2cc(F)c(F)cc2F)cc1[N+](=O)[O-]	225487351	FGECAICROILLEH-JTQLQIEISA-N	353.296	4.167	5	50	FIBA	
CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	861595	VMBRTHLBXOWXRD-UHFFFAOYSA-N	350.330	4.310	5	50	FIBA	
CCCOC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	1771285	RYBSEMDFDDHFRL-UHFFFAOYSA-N	362.769	4.067	5	50	FIBA	
CC1CCN(c2ccc(C(=O)N(C)c3ccccc3)cc2[N+](=O)[O-])CC1	5065057	PNGMYQCTSJOXLF-UHFFFAOYSA-N	353.422	4.108	5	50	FIBA	
O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccccc1[N+](=O)[O-]	850670	KFTINBKOROWFIY-UHFFFAOYSA-N	371.352	4.424	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCCCC2)cc1	941062	FPAGRQFHMMCIOV-KPKJPENVSA-N	351.406	4.237	5	50	FIBA	
Cc1c(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-]	1113755	QNOBPXWAWHYVIN-UHFFFAOYSA-N	353.422	4.392	5	50	FIBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1	4865468	AXJXNIMOXDYGFR-UHFFFAOYSA-N	354.387	4.063	5	50	FIBA	
COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]	4841572	LAUJEHLRFBRQGU-UHFFFAOYSA-N	362.385	4.374	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1	1218570	QIBSNRXXVWFDPA-MDZDMXLPSA-N	350.418	4.089	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NCCC(=O)c1ccc2ccccc2c1	2531669	VNONBWYSFSYXSJ-UHFFFAOYSA-N	350.374	4.442	5	50	FIBA	
COc1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	4699573	NYWGRVWHDKDJPS-UHFFFAOYSA-N	364.785	4.053	5	50	FIBA	
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1[N+](=O)[O-]	4349001	OFQWJRHJOLYCDL-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
CCOC(=O)c1cc(N2C[C@H]3CC[C@H]2c2ccccc23)ccc1[N+](=O)[O-]	253393251	XJOTVBLSNWZOTL-ACJLOTCBSA-N	352.390	4.210	5	50	FIBA	
CCCCCOC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	2027599	ZZHLAWZRNVLEKM-UHFFFAOYSA-N	356.378	4.194	5	50	FIBA	
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-]	4524318	KAHHQHWHFAQSRL-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
O=Cc1cn(-c2ccc(Br)cc2)nc1-c1cccc([N+](=O)[O-])c1	732201	KWWOFRXJSZPMQM-UHFFFAOYSA-N	372.178	4.023	5	50	FIBA	
Cc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)ccc1[N+](=O)[O-]	1139006	PEGYSRZIHRWJBA-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
Cc1cccn2cc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc12	8833833	KNPFRSQCROXMLN-UHFFFAOYSA-N	372.384	4.470	5	50	FIBA	
COc1cc(CN2CC=C(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC	55142285	LACJHFRESJWWQX-UHFFFAOYSA-N	372.396	4.040	5	50	FIBA	
Cc1ccc(C)c(N2C(=N)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c1	4642189	XJIGARDHSCLXPP-MVSXMAMESA-N	353.403	4.267	5	50	FIBA	
CC(=O)Nc1ccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)cc1	5064006	AZARLNSDVFETPM-UHFFFAOYSA-N	354.391	4.420	5	50	FIBA	
Cc1ccc(Cl)cc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	104224499	CESLGKHYJOZAKG-UHFFFAOYSA-N	352.690	4.117	5	50	FIBA	
O=[N+]([O-])c1ccc(CSc2nnnn2-c2cccc3ccccc23)cc1	1059040	JYFKGUQZAQFYHB-UHFFFAOYSA-N	363.402	4.016	5	50	FIBA	
O=c1c2ccccc2oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c12	4828017	JCPBZASOZQCAIR-UHFFFAOYSA-N	363.325	4.139	5	50	FIBA	
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1	851577	LNFUKDKMYZJEIT-UHFFFAOYSA-N	370.386	4.188	5	50	FIBA	
COc1ccc(-c2ccc(/C=C3/SC(=S)N=C3O)o2)c([N+](=O)[O-])c1	2932801	PDCLYGIATHFPST-NTUHNPAUSA-N	362.388	4.193	5	50	FIBA	
O=[N+]([O-])c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)c1	12192313	KGIQKKZYZJTEHB-FXAWDEMLSA-N	361.357	4.430	5	50	FIBA	
O=[N+]([O-])c1cc(Br)ccc1OC(C(F)(F)F)C(F)(F)F	169725433	OPCWWDQWQONPFA-UHFFFAOYSA-N	368.027	4.229	5	50	FIBA	
Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2c3c(c(=O)oc12)CCCC3	944776	GWNUWYLXAJSLNJ-UHFFFAOYSA-N	365.385	4.467	5	50	FIBA	
O=C(Nc1ccccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl	1135394	IRCFRQYCXYGEMO-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)c(Cl)c1	5042000	BMQFHNRBXLDKPP-UHFFFAOYSA-N	357.700	4.494	5	50	FIBA	
CCc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccccc2[N+](=O)[O-])cc1	17073592	NITWFZRGGGGCCN-AWEZNQCLSA-N	356.422	4.192	5	50	FIBA	
CC(C)Oc1cccc([C@H](O)CNc2ccc3cnccc3c2[N+](=O)[O-])c1	858414136	CQNCBSRJCVMSAP-LJQANCHMSA-N	367.405	4.076	5	50	FIBA	
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1	1185544	VMHPKISSXWKBEX-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	4014327	HBVOJEZYAOTCMG-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	4081937	PQAJJATZAYHKMU-UHFFFAOYSA-N	368.220	4.134	5	50	FIBA	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCc1cc2ccccc2[nH]1	170603227	OZPWMXODHZDWAP-UHFFFAOYSA-N	357.797	4.010	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2s1	832782	NZSXKAZECAEBCL-UHFFFAOYSA-N	359.432	4.244	5	50	FIBA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	1174778	CISVCZVQXKYXSJ-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
Cn1nc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2c1=O	4949331	LWQSVSFFQNWZBR-UHFFFAOYSA-N	372.384	4.252	5	50	FIBA	
O=C(/C=C/c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Br	4056366	ZDYDUDHULLONMB-FPYGCLRLSA-N	365.158	4.148	5	50	FIBA	
Cc1ccc(-c2nc3n(n2)C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)S3)cc1	1151808	HBUMYZBRQSSBIF-HNNXBMFYSA-N	366.402	4.039	5	50	FIBA	
COc1cccc(OC)c1OCCCOc1ccc([N+](=O)[O-])cc1Cl	2985432	SKDZVEUORRNDBS-UHFFFAOYSA-N	367.785	4.113	5	50	FIBA	
O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1ccccc1	4785141	ILEMULSHTZXNDV-CCEZHUSRSA-N	369.380	4.464	5	50	FIBA	
O=[N+]([O-])c1ccc(COCC2C34CC=CCC23CC=CC4)c([N+](=O)[O-])c1	45070485	GJNZEESPCOEHIS-UHFFFAOYSA-N	356.378	4.322	5	50	FIBA	
O=C(CCSc1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc12	2845220	BKZUOHLITHVAOE-UHFFFAOYSA-N	353.403	4.264	5	50	FIBA	
O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	16671553	QWPIANFCGHIZMA-NTEUORMPSA-N	360.778	4.489	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Cl)cc1Cl	3958971	CWZUWXMROZTBOM-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2Cl)n1Cc1ccccc1	4842126	OSFGDZUVOWWQFU-UHFFFAOYSA-N	360.826	4.348	5	50	FIBA	
O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)OCc1ccccc1	38536987	YVVHYVDFMBLQQC-UHFFFAOYSA-N	351.156	4.106	5	50	FIBA	
COc1ccccc1NC(=O)CCSc1c(Cl)cccc1[N+](=O)[O-]	1115620	HQAHXBRJVIUHGM-UHFFFAOYSA-N	366.826	4.378	5	50	FIBA	
Cc1c(C(=O)Nc2ccc(-c3nc4cccnc4o3)cc2)cccc1[N+](=O)[O-]	1169753	GJQUQOHYNFXHIV-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=[N+]([O-])c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1Cl	55543230	IKQREFHXTBXPQN-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl	4380029	SNUJUBZGPVSLGU-KGLIPLIRSA-N	351.189	4.121	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl	4860504	RSGFLVVZBNZJKO-KBPBESRZSA-N	351.189	4.121	5	50	FIBA	
Oc1ccc2c(c1)oc1c(-c3ccc4c(c3)OCCO4)c3cn[nH]c3nc12	217758207	FSETVWUSPBXXMZ-UHFFFAOYSA-N	359.341	4.001	5	50	FIBA	biogenic
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1	4844792	GEMBUUKVHYUCQK-UHFFFAOYSA-N	370.386	4.188	5	50	FIBA	
CCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1	1143070	OQWDSPIDLJMRRE-UHFFFAOYSA-N	350.168	4.139	5	50	FIBA	
Cc1ccc2c(C)c(C(=O)NCCSc3ccc([N+](=O)[O-])cc3)oc2c1	1857800581	HBYAJYFTQODOKW-UHFFFAOYSA-N	370.430	4.480	5	50	FIBA	
O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc([N+](=O)[O-])cc1	1043258	ZJACOCSIEWJLBL-UHFFFAOYSA-N	351.387	4.069	5	50	FIBA	
O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc([N+](=O)[O-])c1	1167331	ITIVCAHPCJDLBF-UHFFFAOYSA-N	360.329	4.050	5	50	FIBA	
O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1	5041891	YGHMEYVRNVUWHM-UHFFFAOYSA-N	354.410	4.225	5	50	FIBA	
CCC(C)(C)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1	1005743	HGWKJNHFYWONKX-UHFFFAOYSA-N	354.819	4.040	5	50	FIBA	
CCCCN(C(=O)CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]	4800280	FAXYLEDQATWNKW-UHFFFAOYSA-N	363.292	4.065	5	50	FIBA	
CC(=O)Nc1nc(-c2ccc(C(C)C)cc2)nc2c1c(=O)oc1ccccc12	753941	ZPICGHMFZACWPT-UHFFFAOYSA-N	373.412	4.485	5	50	FIBA	
Cc1cccc(Cc2cnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c1	942181	YWDWYMUWWVNLMK-UHFFFAOYSA-N	353.403	4.203	5	50	FIBA	
Cc1cccc(C)c1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	2325827404	FKENYAOSAVGCTP-CQSZACIVSA-N	353.422	4.277	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1ccccc1	5065541	KYTXETZJXWGKAL-UHFFFAOYSA-N	368.414	4.371	5	50	FIBA	
Cc1[nH]c2ccccc2c1CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	1072208	LTVSSQLGIHDDKJ-UHFFFAOYSA-N	357.797	4.010	5	50	FIBA	biogenic,in-vitro
O=[N+]([O-])c1ccc(COc2c(Cl)cc(CO)cc2Br)cc1	1119578	ADGXJXYCRVLAGL-UHFFFAOYSA-N	372.602	4.082	5	50	FIBA	
CC1(C)C(=O)[C@@](C)(Cc2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccccc1	1140367	GMFJDUUARUYJBW-LAUBAEHRSA-N	367.401	4.037	5	50	FIBA	
O=C(Cc1ccc(Br)cc1)Nc1cc([N+](=O)[O-])ccc1Cl	1217669	BWIARNVLOIDQFO-UHFFFAOYSA-N	369.602	4.192	5	50	FIBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1	674381	BLGBYMYTQMVIMG-UHFFFAOYSA-N	364.357	4.405	5	50	FIBA	
O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	753350	YKJJAYNPRVJKGJ-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[nH]c(=O)c23)C1	2815043	SWSKVCVASIXBCS-VIFPVBQESA-N	373.434	4.304	5	50	FIBA	
CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-]	2999073	FPUMNVMZNZFJHN-UHFFFAOYSA-N	365.183	4.008	5	50	FIBA	
O=C(COc1ccccc1[N+](=O)[O-])N1c2ccccc2CCc2ccccc21	1218060	VAUWKHMPJXNDKA-UHFFFAOYSA-N	374.396	4.437	5	50	FIBA	biogenic
C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])Oc1nonc1-c1ccccc1	4018555	RSNLEHIDYSGPSG-LLVKDONJSA-N	374.784	4.178	5	50	FIBA	
O=C(CSc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1O	4867241	KWNKHVBDVCVHTB-UHFFFAOYSA-N	354.387	4.184	5	50	FIBA	
Cc1ccc(NC(=O)OCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-]	1753788	XERILLUYPLJXAL-UHFFFAOYSA-N	350.758	4.184	5	50	FIBA	
COc1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)c([N+](=O)[O-])c1	4040488	PLELVJGRPQWQAB-UHFFFAOYSA-N	358.394	4.053	5	50	FIBA	
O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccc(Br)cc12	4499615	SOOHBKHRKRGHRT-FPYGCLRLSA-N	373.162	4.029	5	50	FIBA	
COc1cc2c(cc1OC)C1(CCCC1)CN[C@H]2c1ccc([N+](=O)[O-])cc1	19312884	KVEIQKZBFJMKFL-FQEVSTJZSA-N	368.433	4.116	5	50	FIBA	biogenic
O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)o1	22342410	COXWBAZYHVZUKW-JXFKEZNVSA-N	361.357	4.430	5	50	FIBA	
Cc1ccc(C)c(N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)c1	55292253	NJBMAPJTOIMHTP-UHFFFAOYSA-N	359.857	4.187	5	50	FIBA	
Cc1cc(=O)oc2cc(OCCSc3ccc([N+](=O)[O-])cc3)ccc12	1852239	HWJZBFLJPXWNTC-UHFFFAOYSA-N	357.387	4.181	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CC[C@H]3[C@@H](CC[C@H]21)C3(Cl)Cl	239433376	XPDKBYXIHXVCHA-OYQDBORRSA-N	369.248	4.389	5	50	FIBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1c(F)c(F)c(F)c(F)c1F	2739135	JXEAZCZBDRAGBF-UHFFFAOYSA-N	366.629	4.196	5	50	FIBA	
Cc1nc2sccn2c1-c1csc(Nc2ccc([N+](=O)[O-])cc2)n1	4095156	GJLKEFVKFNAYEE-UHFFFAOYSA-N	357.420	4.480	5	50	FIBA	
O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1	4867743	PEXGBZKGITXECJ-UHFFFAOYSA-N	370.368	4.457	5	50	FIBA	
Cc1c(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cccc1[N+](=O)[O-]	1208375	PIAFRKDUJZACRS-UHFFFAOYSA-N	365.345	4.001	5	50	FIBA	
CCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	4056326	JLFUUGGFPSUCSL-KPKJPENVSA-N	370.405	4.434	5	50	FIBA	
C[C@@H]1CCc2c(sc(N)c2C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	6764152	PDGCBNIQKRCINQ-MRVPVSSYSA-N	365.842	4.269	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(Br)cc1	669452	HBBYCCGODGYNEY-WEVVVXLNSA-N	361.195	4.318	5	50	FIBA	
Cc1ccc(OCc2ccc(C(=O)Nc3ccc(F)cc3)o2)c([N+](=O)[O-])c1	2764332	ICSFSKJPRLZEFD-UHFFFAOYSA-N	370.336	4.467	5	50	FIBA	
CC[N@+]1(C)CC[C@H]2[C@@H](C1)c1cc(C)ccc1N2C(=O)c1ccc(F)cc1	239415424	UKTJWLZFSWIRMU-QYXIYQDXSA-N	353.461	4.117	5	50	FIBA	
COc1ccc(Br)cc1CNc1ccc(F)c([N+](=O)[O-])c1	2534571	PRSJDHVHOSTRMM-UHFFFAOYSA-N	355.163	4.117	5	50	FIBA	
O=C(Nc1nnc(C2CCCCC2)s1)c1cc([N+](=O)[O-])ccc1Cl	1114543	KMTJANPKTNGXBG-UHFFFAOYSA-N	366.830	4.400	5	50	FIBA	
Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl	4983443	KGGZBHJZYBVPAV-UHFFFAOYSA-N	359.813	4.409	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])[C@]1(c2ccccc2)CC1(Cl)Cl	4955347	RCECHFKLKLRUJZ-OAHLLOKOSA-N	351.189	4.049	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	1124615	MIEQPRQHRCYXAK-CYBMUJFWSA-N	372.421	4.307	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl	4380027	SNUJUBZGPVSLGU-ZIAGYGMSSA-N	351.189	4.121	5	50	FIBA	
Cc1cc(Br)ccc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1	1141254	KYQHLZFZHBCKLM-NSHDSACASA-N	363.211	4.408	5	50	FIBA	
C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1[N+](=O)[O-]	4524321	KAHHQHWHFAQSRL-SECBINFHSA-N	355.177	4.308	5	50	FIBA	
O=C(CSc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	1726918	GIFWTLNRLCOBKL-UHFFFAOYSA-N	352.209	4.332	5	50	FIBA	
Cc1ccc(C)c(N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)c1	55292127	XVNLKJSZHLYRLZ-UHFFFAOYSA-N	359.857	4.187	5	50	FIBA	
Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](c1ccc(Cl)cc1)C1CCC1	170621588	BXBHRQQRQDXYNT-KRWDZBQOSA-N	359.813	4.223	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1Cl	786485	OFVGKXFXLBWMEA-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	
O=C(OCc1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1	1164926	UTBMWGXTBOXXJV-UHFFFAOYSA-N	370.586	4.368	5	50	FIBA	
Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(Br)c1	4927486	DIJBTHPATZCLNE-UHFFFAOYSA-N	350.172	4.310	5	50	FIBA	
O=C(O)c1ccccc1C(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	753075	TUZISGYKCGKMAS-UHFFFAOYSA-N	362.341	4.212	5	50	FIBA	
Cc1ccc(OC(F)F)c(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1	2858647	HRMUEBJQPOLIRJ-UHFFFAOYSA-N	353.350	4.314	5	50	FIBA	
CC1CCN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)CC1	4680328	MJUPIBMOTKUTSH-UHFFFAOYSA-N	363.417	4.135	5	50	FIBA	
O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(c4ccccc4)CC3)o2)c1	4980415	BMOIQSIAAWNCHF-UHFFFAOYSA-N	363.417	4.177	5	50	FIBA	
Cc1c(C(=O)OCc2ccc(Br)cc2)cccc1[N+](=O)[O-]	1118831	BAJYWRYYYCNCIM-UHFFFAOYSA-N	350.168	4.023	5	50	FIBA	
CCOc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl	2991266	ZSFCIOPKIDRNDI-UHFFFAOYSA-N	351.786	4.495	5	50	FIBA	
COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	214472544	YTSJGXXHOSCZHT-QZTJIDSGSA-N	353.374	4.034	5	50	FIBA	
O=c1c(-c2c3cn[nH]c3nc3c2oc2cc(O)ccc23)coc2ccccc12	217824009	IZTGORFQQAALKG-UHFFFAOYSA-N	369.336	4.336	5	50	FIBA	biogenic
CCCCC/C=C/C/C=C\CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	1500982090	REUVFPFCXKWJQA-BUVDLNRDSA-O	368.538	4.332	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2csc(=Nc3ccc(Cl)nc3)[nH]2)c(F)c1	2325824317	YAYWMUUYPQPDGJ-UHFFFAOYSA-N	350.762	4.071	5	50	FIBA	
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C)cc1	1148907	VBLFAOGIMCKTKY-UHFFFAOYSA-N	354.435	4.474	5	50	FIBA	
Cc1cc(C(F)(F)F)n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1	1384243	LFSOXSPVABZKNR-UHFFFAOYSA-N	354.313	4.231	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(F)c(Cl)c1	4999215	BRJOZJAWNPFFAD-UHFFFAOYSA-N	355.778	4.205	5	50	FIBA	
CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc([N+](=O)[O-])c1	1875318838	WNJZMFUYRYUVBW-QGZVFWFLSA-N	368.368	4.005	5	50	FIBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)c1sc2nc(C)c(C)c(C)c2c1N	4709482	YCYKTYBSUWGWGV-UHFFFAOYSA-N	370.434	4.273	5	50	FIBA	
CCn1c(SCc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1	2911292	UBIAOYWCAYUBNP-UHFFFAOYSA-N	358.398	4.305	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1	4845182	DNLZTMYFBYJXQH-VQHVLOKHSA-N	364.357	4.247	5	50	FIBA	
O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1205794	ZVYSIYVZXYJYKS-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1CC12CC3CC(CC(C3)C1)C2	4006749	FJSQRPPWFLZTBS-RNJZWHOHSA-N	372.490	4.385	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1cc(C)ccc1C	4056328	ANSJSFBFBXWGFN-UHFFFAOYSA-N	358.394	4.018	5	50	FIBA	
C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)OC12CC3CC(CC(C3)C1)C2	4783794	YIPKZEZYZAKLCZ-IVKJLDKCSA-N	373.453	4.090	5	50	FIBA	
CCCCOc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	4797192	IYFANCGKGTYRLS-UHFFFAOYSA-N	360.366	4.393	5	50	FIBA	
CN(C)CCCn1c(-c2ccc([N+](=O)[O-])cc2)nc(=S)c2c1CCCC2	957056	NODHLPLWXXSQKX-UHFFFAOYSA-N	372.494	4.018	5	50	FIBA	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]	1113927	RXXLSIDCLXPUTI-UHFFFAOYSA-N	355.177	4.228	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1	4042151	NGNMOXRVMKEJTG-UHFFFAOYSA-N	364.785	4.055	5	50	FIBA	
COc1cccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1	4181002	LDEYTFPHRHGQRH-UHFFFAOYSA-N	371.437	4.085	5	50	FIBA	
COc1cc2c(cc1OC)C1(CCCC1)CN[C@@H]2c1cccc([N+](=O)[O-])c1	19312862	OGIKRJOSUWITTI-HXUWFJFHSA-N	368.433	4.116	5	50	FIBA	
COc1cc(CN2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC	1227439	VERRLRRGCGPLBB-UHFFFAOYSA-N	370.449	4.067	5	50	FIBA	
Cc1ccc([C@@H](C)OC(=O)c2cnc3snc(C)c3c2)cc1[N+](=O)[O-]	170657307	MZWXJIDGGSCFAL-LLVKDONJSA-N	357.391	4.134	5	50	FIBA	
CCCCC(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	2856921	LKDBKDCJYMIHOA-UHFFFAOYSA-N	355.394	4.284	5	50	FIBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)c1	4148012	YYKBYQSVEJUYAN-UHFFFAOYSA-N	368.370	4.295	5	50	FIBA	
CCOc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	4750147	HWECUEAGJFPNBB-UHFFFAOYSA-N	369.402	4.369	5	50	FIBA	
CCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	1216529	UBTABWIXJXDFDS-UHFFFAOYSA-N	361.785	4.239	5	50	FIBA	
CCCCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	4056325	FBYLSFRFSVIOQJ-KPKJPENVSA-N	370.405	4.434	5	50	FIBA	
C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4813566	CQPJXWKZQFHLHJ-JTQLQIEISA-N	359.432	4.324	5	50	FIBA	
Cc1cccn2cc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc12	8833834	BYAOQJOQLQSRMD-UHFFFAOYSA-N	372.384	4.470	5	50	FIBA	
O=C(NC1CCCCC1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1	6686529	ZOZUZWKLBUXTKD-UHFFFAOYSA-N	353.422	4.269	5	50	FIBA	
O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc12	226360342	GWPXTGLYICJBPH-UHFFFAOYSA-N	373.162	4.271	5	50	FIBA	
Cc1ccccc1[C@H]1C[C@H](C)N(C(=S)Nc2ccc([N+](=O)[O-])cc2)C1	737449255	OUIXOZMCGPDCLE-GJZGRUSLSA-N	355.463	4.478	5	50	FIBA	
Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1[N+](=O)[O-]	1134950	XNXIQRKMSACSES-UHFFFAOYSA-N	353.147	4.057	5	50	FIBA	
CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1	2845183	PNYYVWYLLUXTFH-OAHLLOKOSA-N	368.418	4.241	5	50	FIBA	
COc1ccc(C2(C(=O)Nc3ccccc3[N+](=O)[O-])CCCC2)cc1OC	4419853	AOKUSUARMADQEG-UHFFFAOYSA-N	370.405	4.063	5	50	FIBA	
COc1c([N+](=O)[O-])cc2cc(Br)ccc2c1Br	616567956	LXJTVDQLLYQPBR-UHFFFAOYSA-N	360.989	4.282	5	50	FIBA	
CCc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1	2836804	GTMDTONRWYRZRS-UHFFFAOYSA-N	350.168	4.139	5	50	FIBA	
CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cccc(Cl)c1	2858415	UHILGACBFBOHCS-UHFFFAOYSA-N	361.814	4.073	5	50	FIBA	
O=c1c2ccccc2nc(/C=C/c2ccccc2)n1-c1ccccc1[N+](=O)[O-]	4821891	NJFGURPBJNMOMF-CCEZHUSRSA-N	369.380	4.464	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cccc(Cl)c3)CC2)c1	55543997	UDYRAJKAHPAFJL-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-]	1114840	YVDPWWRRIGSHSK-UHFFFAOYSA-N	366.830	4.400	5	50	FIBA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Oc1ccccc1[N+](=O)[O-]	674835	WIPNJRQJWDJSGO-VIFPVBQESA-N	356.161	4.275	5	50	FIBA	
Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	1069670	BCBYZBBSAIDXJN-UHFFFAOYSA-N	357.797	4.010	5	50	FIBA	biogenic,in-vitro
Cc1ccc([N+](=O)[O-])c(C)c1OC(=O)c1cc(C2CC2)n(C(C)(C)C)n1	170641498	WOVZZDRMDFOMQN-UHFFFAOYSA-N	357.410	4.260	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1	4706869	VUTMLRKJCDSHAN-UHFFFAOYSA-N	357.435	4.153	5	50	FIBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Br)cc1	4892410	QFCYOPFFSHJLHR-RUDMXATFSA-N	361.195	4.318	5	50	FIBA	
CC[C@H](C)c1ccccc1OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	1110225	UJOFGCPQWGRXRJ-ZDUSSCGKSA-N	358.394	4.134	5	50	FIBA	
O=C(/C=C/c1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	1115390	DZKOVMBDQFSWTK-IZZDOVSWSA-N	351.387	4.370	5	50	FIBA	
COc1cccc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c1Cl	4542851	UUCJTZOLPBWJON-LBPRGKRZSA-N	374.824	4.167	5	50	FIBA	
O=C(CSc1nc2ccccc2s1)OCc1ccc([N+](=O)[O-])cc1	2675151	PQBCAJSLFFQQPL-UHFFFAOYSA-N	360.416	4.040	5	50	FIBA	
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl	4380030	SNUJUBZGPVSLGU-KBPBESRZSA-N	351.189	4.121	5	50	FIBA	
CC(C)(C)c1ccc(CNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1	4182939	REMVFZOWTBRQEF-UHFFFAOYSA-N	369.465	4.341	5	50	FIBA	
O=c1c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc2n1-c1ccccc1	4310889	CYLKPZFCMSJSCH-UHFFFAOYSA-N	363.417	4.279	5	50	FIBA	aggregator
O=C(Nc1ccc(Br)c2cccnc12)c1cccc([N+](=O)[O-])c1	1164972	TXIMAHYDFZZBNE-UHFFFAOYSA-N	372.178	4.158	5	50	FIBA	
O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1csc([N+](=O)[O-])c1	193369814	WCPWTVQVAPEERY-UHFFFAOYSA-N	364.386	4.223	5	50	FIBA	
CCOc1ccc(C(=O)CSc2nc3ccccc3o2)cc1[N+](=O)[O-]	754322	WVAIRIRPEGRGJN-UHFFFAOYSA-N	358.375	4.110	5	50	FIBA	
O=C(Nc1nnc(CC2CCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl	1005733	GVOYTSQPFXYGLU-UHFFFAOYSA-N	366.830	4.085	5	50	FIBA	
Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1Br	2980858	QMURSJPGKQYOMA-RUDMXATFSA-N	361.195	4.318	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	5065679	YCHPRZWLAGHABR-ZDUSSCGKSA-N	372.421	4.307	5	50	FIBA	
CC(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	1132936	KKANIDWIFDUDQH-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	
O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)o1	4257774	COXWBAZYHVZUKW-OXQOHEQNSA-N	361.357	4.430	5	50	FIBA	
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ccncc12	199790789	OGELIRNZSGROGB-UHFFFAOYSA-N	361.376	4.275	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Br)cc3)nc(O)n2)cc1	1232362	ZJCPWHWXHPVEOQ-UHFFFAOYSA-N	372.178	4.187	5	50	FIBA	
C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	3893051	UMUMUFGTAGWRHA-HNNXBMFYSA-N	365.433	4.177	5	50	FIBA	
COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)c1	4978387	OBYOCCHFFFCDFZ-UHFFFAOYSA-N	369.421	4.092	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc3ccccc3c2)c([N+](=O)[O-])c1	68576676	RJBBULPFDKEBBZ-UHFFFAOYSA-N	354.278	4.308	5	50	FIBA	biogenic
O=C(NCCSCc1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cc1	2817515	BSDLSJHHWVIRKT-UHFFFAOYSA-N	368.817	4.051	5	50	FIBA	
Cc1c(Br)c([N+](=O)[O-])nn1Cc1ccc(Cl)cc1Cl	4811137	FBOHHBMYAZGGMH-UHFFFAOYSA-N	365.014	4.217	5	50	FIBA	
COc1ccc(/C=C(\C)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F	182942623	AWUUXMYIUSOEEX-CNELAYHGSA-N	358.369	4.023	5	50	FIBA	
O=C(O[C@@H]1CCCCC[C@H]1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1	4566648	YAJGCPFGWLSEBN-PKOBYXMFSA-N	360.454	4.186	5	50	FIBA	
Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1	1119356	ZDVJGIMPUUCMHA-UHFFFAOYSA-N	360.826	4.336	5	50	FIBA	
O=C(CCNc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1	1108293	AXUSWWVSARYCQT-UHFFFAOYSA-N	361.401	4.266	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1Cl	5045882	SKLXXJBEHXGJRI-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC2(CC2)c2ccccc21	373095510	RTFXFBRDLCWFNG-UHFFFAOYSA-N	366.420	4.373	5	50	FIBA	
O=C(O)c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ncncc12	1875328920	SMLDKEAJRLUQKG-UHFFFAOYSA-N	350.765	4.273	5	50	FIBA	
Cc1cc(C(=O)OCc2cccc(Br)c2)ccc1[N+](=O)[O-]	959582	PDYZJBOFNUNOOP-UHFFFAOYSA-N	350.168	4.023	5	50	FIBA	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1	1119370	BRUIYHIVKSRQDS-ZDUSSCGKSA-N	358.394	4.134	5	50	FIBA	
O=C1S/C(=C\C=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	1188232	GZJUPPXCBRBOQH-VJSUNBITSA-N	352.371	4.392	5	50	FIBA	
CCOc1ccc(OCC)c(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1	1741679	SMBRADBRAYQXKB-UHFFFAOYSA-N	363.345	4.175	5	50	FIBA	
CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1	1005609	RYUQMKPYCNSLPA-UHFFFAOYSA-N	354.819	4.040	5	50	FIBA	
Cc1nc2ccccn2c1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1	888698	GYGZQNBWUIQZAM-UHFFFAOYSA-N	351.391	4.418	5	50	FIBA	
CCOc1ccc(NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1	4031836	QZNKRXJZIQMGCX-UHFFFAOYSA-N	365.183	4.008	5	50	FIBA	
O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H](Oc2cccnc2)C1	225476946	UESVNSXXSQBSEQ-SFHVURJKSA-N	369.424	4.077	5	50	FIBA	
O=C(O)c1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2ccccc2)cc1	44126440	DVRBAUJEVSMHGI-UHFFFAOYSA-N	362.341	4.212	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1cccc(C(F)(F)F)c1	1738347	WALMCYIXZDKENP-UHFFFAOYSA-N	355.272	4.266	5	50	FIBA	
Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]	1165159	HQPAVWQASFMRCR-UHFFFAOYSA-N	368.172	4.250	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl	4535084	DIRIOIMKTVIFIK-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1	55440330	UBQOVEOBOJSMOX-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
O=C(OCc1ccc(C(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	1050433	XOSIDOZNLHQJLJ-UHFFFAOYSA-N	361.353	4.183	5	50	FIBA	
O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2C[C@H]2CCCO2)CCCC3)c1	1077155	RASLDBYHHDUHJJ-OAHLLOKOSA-N	371.462	4.246	5	50	FIBA	
COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC	1190080	GFFLNPAKESWRSA-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
Cc1ccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1	940543	WZOWRZYKCMYLAI-UHFFFAOYSA-N	353.403	4.203	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Sc1nc2ccccc2[nH]1	22107863	YMIQJNOTIUVLFB-UHFFFAOYSA-N	367.346	4.079	5	50	FIBA	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	5041215	BEFGQWPKXKVSBZ-ZDUSSCGKSA-N	358.394	4.134	5	50	FIBA	
CC(=O)Nc1cccc(-c2csc(Nc3ccccc3[N+](=O)[O-])n2)c1	5065201	HOYDLYUFRVOKBZ-UHFFFAOYSA-N	354.391	4.420	5	50	FIBA	
Cc1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	656921	VBDSVLCFMLTYOG-UHFFFAOYSA-N	353.403	4.208	5	50	FIBA	
COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1	4998295	JIZHEUYRHOLWFZ-UHFFFAOYSA-N	369.421	4.092	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2csc(N3CCN(c4ccccc4)CC3)n2)cc1	2995039	RWMNOPSSCCVWEM-UHFFFAOYSA-N	366.446	4.045	5	50	FIBA	
COc1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=N)c(OC)c1	7066690	WRZFRXFFBRDJKD-UHFFFAOYSA-N	374.396	4.335	5	50	FIBA	
CCS(=O)(=O)c1cc([N+](=O)[O-])c(Nc2ccc3ccccc3c2)s1	3877646	ZOUQKKJGVMFXAA-UHFFFAOYSA-N	362.432	4.347	5	50	FIBA	
C/C=C/c1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1	2985446	ITNUAOAWQLSWPP-ONEGZZNKSA-N	373.405	4.111	5	50	FIBA	
CC(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)c1c3ccccc3cc3ccccc13)C2	91468226	YSWVNBFYYUCMPT-FXAWDEMLSA-N	372.468	4.076	5	50	FIBA	
CCN(CCN=c1[nH]cc(C)c2cc([N+](=O)[O-])ccc12)c1cccc(C)c1	1875341694	CWHRLPPDMUOTCJ-UHFFFAOYSA-N	364.449	4.120	5	50	FIBA	
O=C(Nc1ccccc1-c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2875057	DJRVXRLNSGDFSS-UHFFFAOYSA-N	363.329	4.422	5	50	FIBA	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1	5050772	HAZHPDDPJMNMTJ-UHFFFAOYSA-N	367.449	4.312	5	50	FIBA	
O=C(CNCc1cccc2ccccc12)Nc1ccc(Cl)c([N+](=O)[O-])c1	52537464	HYDVYFQKWXUCGJ-UHFFFAOYSA-N	369.808	4.130	5	50	FIBA	
O=C(OCc1ccccc1)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	1144969	VFSFPMOQJKSZPP-UHFFFAOYSA-N	357.347	4.074	5	50	FIBA	
Cc1c(Br)cc([N+](=O)[O-])c(Br)c1Br	1772572480	IQXOIFIWZKOZTF-UHFFFAOYSA-N	373.826	4.191	5	50	FIBA	
Cc1ccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1C	1818131	NUECBMDHIZLKLM-UHFFFAOYSA-N	369.406	4.374	5	50	FIBA	
O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1	1136169	JAGPCRSGVBHVSI-UHFFFAOYSA-N	350.330	4.139	5	50	FIBA	
C[N@@+]1(CCCC(=O)c2ccc3c(c2)OCCO3)CC[C@H](c2ccccc2)C1	245257386	ZGCCWLQRVUYKHK-GBXCKJPGSA-N	366.481	4.055	5	50	FIBA	
COc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(OC)cc1Cl	669478	BEXNBSQISKRNSO-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	1105408	DVJKXRSYXXDAOQ-UHFFFAOYSA-N	362.341	4.066	5	50	FIBA	
O=C(Nc1nc(-c2ccccc2F)co1)c1ccc([N+](=O)[O-])c(Cl)c1	796011022	YVLGFUQOYPCPNW-UHFFFAOYSA-N	361.716	4.295	5	50	FIBA	
O=C(c1ccccc1[N+](=O)[O-])n1c(COc2ccccc2)nc2ccccc21	1162480	MAVABQSRDVENTP-UHFFFAOYSA-N	373.368	4.212	5	50	FIBA	
CCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	4159171	MMNAYVQCPOHIAB-UHFFFAOYSA-N	354.284	4.265	5	50	FIBA	
O=C(/C=C/c1cc(Br)cs1)Nc1cccc([N+](=O)[O-])c1	1205713	BHLZCWQZTNFAIO-SNAWJCMRSA-N	353.197	4.071	5	50	FIBA	
O=Cc1cn(-c2ccc(Br)cc2)nc1-c1ccc([N+](=O)[O-])cc1	732202	KIPIBLUHDKDCPO-UHFFFAOYSA-N	372.178	4.023	5	50	FIBA	
Cc1nn(C(=O)Cc2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1	944593	WQFUKKMHMOONDT-UHFFFAOYSA-N	367.430	4.442	5	50	FIBA	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])o1	1217374	MFKKDFBZGLWCGZ-UHFFFAOYSA-N	368.189	4.478	5	50	FIBA	
COc1cccc(-c2csc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1	937375	VDHJSZGCTRCVPB-UHFFFAOYSA-N	369.402	4.288	5	50	FIBA	
Cc1ccc(OCc2ccc(C(=O)Nc3ncc(C)s3)o2)c([N+](=O)[O-])c1	999947	HAPQXFFVGVDTMI-UHFFFAOYSA-N	373.390	4.092	5	50	FIBA	
CC[C@H](C)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1	1097975	ZEQARQPRCXUWBU-LBPRGKRZSA-N	356.378	4.147	5	50	FIBA	
COc1ccc(OC)c(C(=O)Cc2cc3c(ccc4ccccc43)oc2=O)c1	1152193	ADAJJZPJQMOLGZ-UHFFFAOYSA-N	374.392	4.389	5	50	FIBA	biogenic
CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1	6686315	TWFLOXKYJMUGFG-UHFFFAOYSA-N	361.401	4.484	5	50	FIBA	
O=C(/C=C/c1cccs1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	656460	PWWKKYBVVCATNF-BQYQJAHWSA-N	357.416	4.432	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1Br)c1ccccc1[N+](=O)[O-]	2841593	FRXLCWYCQGUXJS-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
Cn1c(Cc2ccccc2)nnc1Sc1ccc(Cl)cc1[N+](=O)[O-]	4869344	SLNGNTXBIYQIAS-UHFFFAOYSA-N	360.826	4.119	5	50	FIBA	
Nc1ncnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1[N+](=O)[O-]	3912568	CRRKBVLLYMKBGS-UHFFFAOYSA-N	357.757	4.156	5	50	FIBA	
Cc1cc(C(=O)Nc2ccccc2N2CCC(C)CC2)ccc1[N+](=O)[O-]	1116839	QRLZKBPYNBLQEA-UHFFFAOYSA-N	353.422	4.392	5	50	FIBA	
CCOC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(N)ccc12	3877659	IRQSCQHDFUYVFP-UHFFFAOYSA-N	358.397	4.443	5	50	FIBA	
CN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1ccco1)c1ccccc1	5063925	CWSSKRXXHSXVKC-UHFFFAOYSA-N	351.362	4.077	5	50	FIBA	
O=[N+]([O-])c1ccc(NCc2nccn2-c2ccccc2)cc1C(F)(F)F	170616240	ARAVBTZTNWWULI-UHFFFAOYSA-N	362.311	4.411	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1)c1ccccc1	4543111	MTUBWAMJLNCCHT-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	104229281	MJGBRCNTJMOLMM-UHFFFAOYSA-N	372.215	4.174	5	50	FIBA	
CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	1170222	VOKVOTCZKQEKFK-UHFFFAOYSA-N	361.785	4.239	5	50	FIBA	
CC[C@H](c1ccc([N+](=O)[O-])c2ncccc12)S(=O)(=O)c1ccc(C)cc1	1130769	OBTCNMCGZYFGOL-GOSISDBHSA-N	370.430	4.376	5	50	FIBA	
COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)cc1Cl	851388	GCKAZSHQYXFSBD-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
C[C@@H](NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1ccccc1	999934	DJMHZERGVMIASV-CQSZACIVSA-N	366.373	4.258	5	50	FIBA	
Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(-n2nc3ccccc3n2)c1	1140801	JHGULKDITIRJRV-UHFFFAOYSA-N	360.373	4.216	5	50	FIBA	
COc1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2Cl)cc1	4701761	ZXVJFYQMQBIVCC-UHFFFAOYSA-N	351.786	4.495	5	50	FIBA	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F	1109097	MWPOWQNTELBPKZ-UHFFFAOYSA-N	370.352	4.486	5	50	FIBA	
Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-]	1139680	AGGSQEKLWTWEHZ-UHFFFAOYSA-N	365.345	4.001	5	50	FIBA	
O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1cccc2ccccc12	4506999	XKZJZRLUNARFGY-UHFFFAOYSA-N	369.808	4.243	5	50	FIBA	
Cc1c(Cl)cccc1-n1ccc2c(cnc3nc4ccccc4n32)c1=O	22607837	BWTFIAYEIQPMCC-UHFFFAOYSA-N	360.804	4.148	5	50	FIBA	
O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1	55543410	XBCYIWWEBDJQDR-UHFFFAOYSA-N	366.248	4.224	5	50	FIBA	
COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C	753121	IZDVWQPIYXTGIF-HXUWFJFHSA-N	352.390	4.133	5	50	FIBA	
Cc1cc(OC(F)F)ccc1NC(=S)Nc1cccc([N+](=O)[O-])c1	2858353	PTVUGVDISANVAN-UHFFFAOYSA-N	353.350	4.314	5	50	FIBA	
COCCCn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2	2865570	BXTYBCVKMGRDGE-UHFFFAOYSA-N	359.451	4.103	5	50	FIBA	
CCCCOC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3878261	QJUSXSFPMRMORP-UHFFFAOYSA-N	359.338	4.204	5	50	FIBA	
O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1	822894	OCNBBQYYLXSRSZ-VGOFMYFVSA-N	363.156	4.246	5	50	FIBA	
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F	1156534	WHZWEOAUYWAEPC-UHFFFAOYSA-N	374.702	4.285	5	50	FIBA	
COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)cc1Cl	1227226	HNUQCXOPEYVOFU-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2	1193789	CCUAYOMNCCJWJA-UHFFFAOYSA-N	358.353	4.367	5	50	FIBA	
CCCCC(=O)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1	2826773	NBRDEDAAEPSSLL-UHFFFAOYSA-N	355.394	4.284	5	50	FIBA	
CCc1cc2c(C)cc(=O)oc2cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5554541	UURFOCPQJDBFSW-UHFFFAOYSA-N	370.317	4.273	5	50	FIBA	
COc1ccc(NC(=O)/C=C/c2c(F)cccc2Cl)c([N+](=O)[O-])c1	4893644	JTKJDJQYKRYIEQ-SOFGYWHQSA-N	350.733	4.048	5	50	FIBA	
O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1	1129802	KJYVDFJGGATSCU-UHFFFAOYSA-N	369.398	4.007	5	50	FIBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSc1ccc(Cl)cc1	2979871	ZRSVPLZFFWGUBD-XCVCLJGOSA-N	362.838	4.170	5	50	FIBA	
O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	944972	UQULMCHHTMUQSM-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1ccc([N+](=O)[O-])cc1	4756120	IYTWGOFEMCLJQM-UHFFFAOYSA-N	368.370	4.128	5	50	FIBA	
Cc1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2)ccc1[N+](=O)[O-]	2841572	DLMDDUYANFTUIJ-UHFFFAOYSA-N	353.422	4.141	5	50	FIBA	
Cc1ccc(C)c(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1	23281437	MGUURPUCHCQLNF-FNORWQNLSA-N	351.450	4.047	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2cnc(-c3ccc(Br)cc3)nc2)cc1	753330	LMUPAKVYOQHESK-UHFFFAOYSA-N	356.179	4.481	5	50	FIBA	
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1	885921	RLHCFSAKMPXJBM-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=C(NCc1ccccc1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	2769387	JXCYNQDPBGCSEA-UHFFFAOYSA-N	362.385	4.104	5	50	FIBA	
O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl	5121876	UJRYOTYSUQFCOT-UHFFFAOYSA-N	370.217	4.028	5	50	FIBA	
CC(C)NC(=O)c1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)cc1	170593513	BLNDYKFQCLOOQP-UHFFFAOYSA-N	355.438	4.469	5	50	FIBA	
Cc1c(O[C@H](C(=O)O)c2ccccc2)ccc2c1oc(=O)c1ccccc12	622175	NFQYAASIUHLEDX-FQEVSTJZSA-N	360.365	4.459	5	50	FIBA	
O=C(CCc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	959470	FXMPJMYALFLFSL-UHFFFAOYSA-N	353.403	4.290	5	50	FIBA	
O=[N+]([O-])/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1	1072873	FFSZYTAGEVFKJV-BQYQJAHWSA-N	352.159	4.415	5	50	FIBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCCCC1	1131053	ILLDGFUMOLOXHB-VAWYXSNFSA-N	351.406	4.237	5	50	FIBA	
O=[N+]([O-])c1ccc(COCC2C3=CC=CC=C2C=CC=C3)c([N+](=O)[O-])c1	45070496	MLICWPYKELLLTI-UHFFFAOYSA-N	352.346	4.184	5	50	FIBA	
CC[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccc([N+](=O)[O-])c1	1875318837	WNJZMFUYRYUVBW-KRWDZBQOSA-N	368.368	4.005	5	50	FIBA	
O=C(OCCSc1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1	3106459	AJOQTXPWQKOTOH-UHFFFAOYSA-N	360.416	4.154	5	50	FIBA	
CCOc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])cc(OCC)c1OCC	4689076	SMFPSSYWBSJBLY-UHFFFAOYSA-N	374.393	4.043	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl	2906689	SHFZVGNGAINVNE-CABCVRRESA-N	365.216	4.429	5	50	FIBA	
O=C(Nc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	5092351	DQZDRTUZGQKYCZ-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCCC2	651387	AGYDNJPPEFCTLE-UHFFFAOYSA-N	351.358	4.159	5	50	FIBA	
COc1cc(OC)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl	1145191	NETDIFIIJPQUJK-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
Cc1cc(Br)cc(C)c1OC(=O)c1cccc([N+](=O)[O-])c1	1121454	LQJHQYBYJJGHHE-UHFFFAOYSA-N	350.168	4.193	5	50	FIBA	
CC[C@@H](OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	3137119	HQTXOJDWQSXEIR-SJKOYZFVSA-N	358.350	4.242	5	50	FIBA	
Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])c2c1	4814497	BMXHSCKOCJCKQR-UHFFFAOYSA-N	357.797	4.010	5	50	FIBA	
O=[N+]([O-])c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1	4998989	CMVRBRHANVQUOO-UHFFFAOYSA-N	355.463	4.246	5	50	FIBA	
CC(C)Oc1cccc([C@@H](O)CNc2ccc3cnccc3c2[N+](=O)[O-])c1	858414135	CQNCBSRJCVMSAP-IBGZPJMESA-N	367.405	4.076	5	50	FIBA	
O=C(CCNc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1	1052475	DGHIOOFDQOASIH-UHFFFAOYSA-N	361.401	4.266	5	50	FIBA	
CC(C)N(C(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(C)C	4614469	MENOQKCXKLXWRS-UHFFFAOYSA-N	369.421	4.106	5	50	FIBA	
CCOc1ccc(NC(=O)c2ccccc2Br)c([N+](=O)[O-])c1	4845518	IVTVHZDECNUHJM-UHFFFAOYSA-N	365.183	4.008	5	50	FIBA	
Cc1sc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1-c1ccccc1	959335	JUXGOPCXLFCOHV-UHFFFAOYSA-N	369.402	4.044	5	50	FIBA	
O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1	1145639	BVOWCRBDEYGQCN-UHFFFAOYSA-N	362.341	4.066	5	50	FIBA	
COc1cccc(CCC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c1Cl	4542850	UUCJTZOLPBWJON-GFCCVEGCSA-N	374.824	4.167	5	50	FIBA	
O=C(Nc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2875002	CKCQGPOQYMYXKL-UHFFFAOYSA-N	356.121	4.062	5	50	FIBA	
CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)C[C@H](C(C)(C)C)CC2	759033	RWUOUAMTJFPZOJ-CYBMUJFWSA-N	364.445	4.451	5	50	FIBA	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1	5051490	CXXJMBRQODMZMN-UHFFFAOYSA-N	353.422	4.269	5	50	FIBA	
C[C@H](CNC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	1120427	CNGAHDJJUZDLQB-SNVBAGLBSA-N	353.205	4.435	5	50	FIBA	
CCCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC	4825847	MSEMSGLBAINFOD-UHFFFAOYSA-N	358.394	4.425	5	50	FIBA	
Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1	934458	HFAMDDKLOGATNW-UHFFFAOYSA-N	353.403	4.248	5	50	FIBA	
Cc1ccc2cccc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2n1	4798046	RBJHZLUHZGUJSY-UHFFFAOYSA-N	353.403	4.182	5	50	FIBA	
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	1207568	JTRPLBUOYCWXPN-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
O=C(Oc1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1	1233135	SNBGCXWIPUWDJG-UHFFFAOYSA-N	356.559	4.230	5	50	FIBA	
O=C(Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1	2832029	ATSQTUWXZQYLMA-UHFFFAOYSA-N	364.313	4.389	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1Cl	4844693	NCTBLBODUKNGAM-UHFFFAOYSA-N	361.206	4.011	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1	252460994	JSAHWRWJVNYPMA-UNWVZKJWSA-N	360.518	4.287	5	50	FIBA	biogenic
O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1	4014333	FKSJYMJCWZCFLL-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)C[C@H]1c1cccnc1	225603793	HWHHPICFLVIHHW-BEFAXECRSA-N	355.438	4.360	5	50	FIBA	
C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1	1120238	UMUBDVYDQMMGQT-NSHDSACASA-N	352.312	4.147	5	50	FIBA	
Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1C	4551003	PMPYQVFHQNARAG-UHFFFAOYSA-N	369.402	4.085	5	50	FIBA	
CC(=O)c1ccc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1	709065	MIJBWSBMEHIODU-UHFFFAOYSA-N	357.365	4.401	5	50	FIBA	
O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(F)c1	1060326	SVISWYOKKUOXHI-UHFFFAOYSA-N	374.315	4.484	5	50	FIBA	
Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccccc1[N+](=O)[O-]	1209801	NXKWNOFNKRBPHF-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)OC12CCC(C(C)(C)C)CC2	1830134	NHPVVFVHOSLVAG-UHFFFAOYSA-N	359.426	4.068	5	50	FIBA	
Cc1cccc(NC(=O)c2ccc(N(C)C3CCCCC3)c([N+](=O)[O-])c2)n1	5068177	RHRQLRGZUIGXLQ-UHFFFAOYSA-N	368.437	4.319	5	50	FIBA	
O=[N+]([O-])c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1	949099	LJBRIHAVOWBVPL-UHFFFAOYSA-N	357.373	4.212	5	50	FIBA	
CCC(C)(C)c1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1	2777397	ZKYAYPWIKGKQJG-UHFFFAOYSA-N	354.819	4.040	5	50	FIBA	
Cc1ccc(C(=O)OCc2ccccc2Br)cc1[N+](=O)[O-]	1064850	HXQVIEDNOWLMLN-UHFFFAOYSA-N	350.168	4.023	5	50	FIBA	
COc1cc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl	1141049	LLCUYWOXXRYEHO-SNVBAGLBSA-N	364.785	4.008	5	50	FIBA	
O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-]	1220106	WHXSGJDBKKDIQY-UHFFFAOYSA-N	357.366	4.034	5	50	FIBA	
Cc1cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Br	5212280	VHWUWVLCCLXLGB-UHFFFAOYSA-N	352.144	4.318	5	50	FIBA	
Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c(Br)c1	2851286	OTMATOHZXMIFQZ-UHFFFAOYSA-N	350.172	4.310	5	50	FIBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)c1	4691589	BOPMYWVJEWFMOC-UHFFFAOYSA-N	366.483	4.251	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Br)c1	4699644	RJANIVKIYDOCJV-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CCCCC/C=C\C/C=C/CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	1500982091	REUVFPFCXKWJQA-LJUQPVSKSA-O	368.538	4.332	5	50	FIBA	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Br)cc1	4036958	NACOUISZSDHVOI-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
CCOC(=O)c1nc(-c2ccccc2)oc1COc1cccc([N+](=O)[O-])c1	174103784	WJIMZEPGLNQJTQ-UHFFFAOYSA-N	368.345	4.006	5	50	FIBA	
Cc1c([C@@H]2Nc3ccccc3C(=O)N2Cc2cccnc2)cccc1[N+](=O)[O-]	877851275	YUIGVPVYYKTPIK-HXUWFJFHSA-N	374.400	4.065	5	50	FIBA	
Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)cccc1-c1nc2ncccc2o1	885928	RXHDBZCOPXCCBY-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
CCCCc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	104233983	DUXRNIHIMLJUOR-UHFFFAOYSA-N	360.326	4.497	5	50	FIBA	
Cn1nccc1C(=O)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1	653596	BCJQRHHSYRUGEV-UHFFFAOYSA-N	372.768	4.026	5	50	FIBA	
O=C(Nc1ccc(Br)c(Cl)c1)c1cccc([N+](=O)[O-])c1	670541	DLFXDHZGIJTVIJ-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
Cc1ccc([C@H](C)OC(=O)c2cnc3snc(C)c3c2)cc1[N+](=O)[O-]	170657309	MZWXJIDGGSCFAL-NSHDSACASA-N	357.391	4.134	5	50	FIBA	
COc1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1	1183479	XAYPFONJMBSSGM-UHFFFAOYSA-N	363.782	4.119	5	50	FIBA	
O=C(CCSc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	2873149	ZNXDXNWMVKHQRY-UHFFFAOYSA-N	359.432	4.325	5	50	FIBA	
Cc1cc2nnc(SCc3ccccc3[N+](=O)[O-])n2c2ccccc12	934510	YMCLAGFDQLQXKF-UHFFFAOYSA-N	350.403	4.391	5	50	FIBA	
C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)OC12CC3CC(CC(C3)C1)C2	4783797	YIPKZEZYZAKLCZ-XXWNAHEMSA-N	373.453	4.090	5	50	FIBA	
CC(=O)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	1211682	JOLKPJKUCRMKMT-UHFFFAOYSA-N	350.330	4.310	5	50	FIBA	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc(C)c2)o1	1219200	MHOHXOOKLZRBOX-UHFFFAOYSA-N	352.346	4.424	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[C@H]1c1ccccc1	4011998	SPIPIEFLKJJENW-STQMWFEESA-N	361.195	4.100	5	50	FIBA	
COCCSc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4740456	AZZQYSGGNYARPX-UHFFFAOYSA-N	366.826	4.239	5	50	FIBA	
COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1[N+](=O)[O-]	4869224	SOLNSYZQHJNWAY-UHFFFAOYSA-N	371.176	4.171	5	50	FIBA	
O=[N+]([O-])c1cc(Nc2ccc3nonc3c2[N+](=O)[O-])c(Cl)cc1Cl	4974121	JFFSCXJFGZTKKZ-UHFFFAOYSA-N	370.108	4.090	5	50	FIBA	
C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C2	252462875	WYWQCKGEIUFJRD-WKCHPHFGSA-N	350.482	4.132	5	50	FIBA	biogenic
O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1	823293	OWHNELUSRSIXLC-UHFFFAOYSA-N	361.357	4.099	5	50	FIBA	
Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1Br	1135938	UBLWMGLSTLFZML-UHFFFAOYSA-N	350.168	4.023	5	50	FIBA	
CC(C)COc1ccc(C(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1	252460993	JSAHWRWJVNYPMA-NWSQWKLXSA-N	360.518	4.287	5	50	FIBA	biogenic
O=[N+]([O-])c1ccc(CN2CCN(Cc3cccc4ccccc34)CC2)cc1	1189281	QXCXMTLODQAZPC-UHFFFAOYSA-N	361.445	4.066	5	50	FIBA	
O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	4755308	GIOIEIIZLAEVID-UHFFFAOYSA-N	359.813	4.491	5	50	FIBA	
COC(=O)COc1cccc2c1ccc1c(-c3ccccc3)cc(=O)oc12	634516	SOWNLMGYJQBEKN-UHFFFAOYSA-N	360.365	4.165	5	50	FIBA	
COc1cc2cc3c4cc(OC)c(OC)cc4cc[n+]3c(C)c2cc1OC	625876	GOEJQGGEIVSVOK-UHFFFAOYSA-N	364.421	4.075	5	50	FIBA	biogenic,in-vitro
CC1(C)C(=O)[C@](C)(Cc2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccccc1	1140365	GMFJDUUARUYJBW-UTKZUKDTSA-N	367.401	4.037	5	50	FIBA	
CCOc1ccc(C(=O)Nc2ccccc2Br)cc1[N+](=O)[O-]	1158389	SYSXSHJHKWFTID-UHFFFAOYSA-N	365.183	4.008	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl	4860498	RSGFLVVZBNZJKO-ZIAGYGMSSA-N	351.189	4.121	5	50	FIBA	
COc1ccc(NC(=O)CCCOc2cc(C)ccc2C)c([N+](=O)[O-])c1	4056329	GOSDTZCNUIFKRU-UHFFFAOYSA-N	358.394	4.018	5	50	FIBA	
COc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1[N+](=O)[O-]	4741168	NSUDTAQXADCGJJ-UHFFFAOYSA-N	357.391	4.082	5	50	FIBA	
O=[N+]([O-])c1ccc(Cn2c([C@H](O)c3ccccc3)nc3ccccc32)cc1	1178310	HOKDYEIDDZEJMD-HXUWFJFHSA-N	359.385	4.075	5	50	FIBA	
Cc1sc2ncnc(SCC(=O)c3cccc([N+](=O)[O-])c3)c2c1C	955192	YVSNASVKXXQNRM-UHFFFAOYSA-N	359.432	4.191	5	50	FIBA	
Cc1cc(Br)ccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	1182698	YKUSWCACCLLWGI-VMPITWQZSA-N	361.195	4.318	5	50	FIBA	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)-c1ccccc1C2=O	1136062	KJSILNUCROKAND-UHFFFAOYSA-N	359.337	4.163	5	50	FIBA	
O=C(Nc1cc(C2CCOCC2)[nH]n1)c1cc2ccccc2c2cccnc12	225424804	CYIXRUBLAPNLDA-UHFFFAOYSA-N	372.428	4.257	5	50	FIBA	
Nc1cc2c(Cl)cc(=O)c3c(Cl)cc4cc(Cl)c(=O)c1c4c23	3057008	CNFUSKPMUGAGQP-UHFFFAOYSA-N	350.588	4.285	5	50	FIBA	
CC[C@H](c1ccccc1)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3137228	RSIJYVSTXMBUDE-SJCJKPOMSA-N	358.350	4.242	5	50	FIBA	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCc2cccnc2)cc1	4872381	OBLCQCWGKCZBFA-UHFFFAOYSA-N	362.389	4.163	5	50	FIBA	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1	1119369	BRUIYHIVKSRQDS-CYBMUJFWSA-N	358.394	4.134	5	50	FIBA	
O=C(NCc1ccco1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1	2879759	WSEMQAQAQHBBNA-UHFFFAOYSA-N	354.387	4.269	5	50	FIBA	
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1	3129994	ZFFOATJMEQWVRM-UHFFFAOYSA-N	355.371	4.220	5	50	FIBA	
Cc1c(Cl)cccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	104225877	MPOWRGKYVYXPLW-UHFFFAOYSA-N	352.690	4.117	5	50	FIBA	
CCN(CCO)c1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	5047894	ABOGPNRNMAPAJG-UHFFFAOYSA-N	369.343	4.176	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F	5060766	IHBVYOJLKLAKBK-UHFFFAOYSA-N	354.135	4.140	5	50	FIBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	1116130	JJACQWGAYUOPAX-UHFFFAOYSA-N	370.386	4.188	5	50	FIBA	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc3ccccc23)c1	3833669	NHWMBLDYQLPZHH-UHFFFAOYSA-N	362.794	4.202	5	50	FIBA	
Cc1cccc(C)c1[C@H](C)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	2325827403	FKENYAOSAVGCTP-AWEZNQCLSA-N	353.422	4.277	5	50	FIBA	
COc1cc(OC)c(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Cl	3086040	OXTSURUDSVGGFH-UHFFFAOYSA-N	369.736	4.049	5	50	FIBA	
COc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1	4668239	FZPZGTIAZCNVFY-UHFFFAOYSA-N	369.421	4.092	5	50	FIBA	
C[C@H](Oc1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl	5010035	LARFCMWUOUJDMT-VIFPVBQESA-N	355.177	4.308	5	50	FIBA	
Cc1ccc2[nH]cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1	13957949	KHWONQZRLHSHST-UHFFFAOYSA-N	357.797	4.010	5	50	FIBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccc(Cl)cc2)nc1C	173019221	SEMAROAREAXXDQ-UHFFFAOYSA-N	370.796	4.303	5	50	FIBA	
Cn1cc([C@@H]2CCCCN2c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1	253427147	DLUIKJHOFNCDHE-ZDUSSCGKSA-N	354.332	4.079	5	50	FIBA	
CCOC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	16213621	DGWJWZQKSNYFIL-QXMHVHEDSA-N	363.373	4.024	5	50	FIBA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1F	672456	HUESFOZNPZICAG-QMMMGPOBSA-N	373.167	4.447	5	50	FIBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	1124614	MIEQPRQHRCYXAK-ZDUSSCGKSA-N	372.421	4.307	5	50	FIBA	
O=C(OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1	2868233	YOWONJFFIBSVMK-UHFFFAOYSA-N	366.398	4.498	5	50	FIBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@]1(c2ccccc2)CC1(Cl)Cl	4358494	VKPJLBNQWMJTSG-HNNXBMFYSA-N	351.189	4.049	5	50	FIBA	
O=[N+]([O-])c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)ccc1Cl	4977616	UEFQOYOVRSPYMX-QPJJXVBHSA-N	371.868	4.079	5	50	FIBA	
COc1cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(C)C	5065342	BHKNZDZPWKNTBH-UHFFFAOYSA-N	364.785	4.296	5	50	FIBA	
Cc1ccccc1OCCNc1cc(N2CCCCC2)ccc1[N+](=O)[O-]	4719248	HWTRBHLFGDIXMD-UHFFFAOYSA-N	355.438	4.384	5	50	FIBA	aggregator
O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)o1	1506366	COXWBAZYHVZUKW-OXJNMPFZSA-N	361.357	4.430	5	50	FIBA	
CCCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	4043984	HBMCISLMKFZOLQ-IZZDOVSWSA-N	356.378	4.044	5	50	FIBA	
O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1[N+](=O)[O-]	4482334	YYWMAZSSASQKCM-UHFFFAOYSA-N	363.782	4.120	5	50	FIBA	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(N)c1-c1cccc(C(F)(F)F)c1	2508491	AAPSWFQOFXQNIJ-UHFFFAOYSA-N	362.311	4.357	5	50	FIBA	
N=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H](C(Cl)(Cl)Cl)S1	1228698	RWAXHCZXKNGEFW-SECBINFHSA-N	352.630	4.194	5	50	FIBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1c[nH]c2ccc(O)cc12	4593376	NTWCNFXUUKYORX-UHFFFAOYSA-N	365.311	4.455	5	50	FIBA	
CC(C)C(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	1120967	AZLKURCSLNUGQN-UHFFFAOYSA-N	361.785	4.095	5	50	FIBA	aggregator
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2cc1OC	4070851	KLUWYFBPIQVCTQ-UHFFFAOYSA-N	352.346	4.018	5	50	FIBA	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	5041214	BEFGQWPKXKVSBZ-CYBMUJFWSA-N	358.394	4.134	5	50	FIBA	
O=C(Nc1cccc(Br)c1)c1ccc(Cl)c([N+](=O)[O-])c1	1213950	GIUBSPFTNSYGEE-UHFFFAOYSA-N	355.575	4.263	5	50	FIBA	
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1C[C@H]1c1ccccc1	1218065	SHSAPKUWCJFHBR-JKSUJKDBSA-N	365.414	4.461	5	50	FIBA	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(Cl)c1	1122551	VXGNKNAIYMTXCV-UHFFFAOYSA-N	352.733	4.202	5	50	FIBA	
Cc1nn(C(=O)c2ccccc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1	655692	CLCYHCMLQCFQME-UHFFFAOYSA-N	353.403	4.248	5	50	FIBA	
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc([N+](=O)[O-])cc1	989870	TVLHCCPBMVFRGB-UHFFFAOYSA-N	358.357	4.390	5	50	FIBA	
Cc1c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cccc1[N+](=O)[O-]	1004250	XTOSXDPXOOQDML-UHFFFAOYSA-N	374.356	4.359	5	50	FIBA	
COc1ccc(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)cc1OC	1178536	UCRIBNOKBDSPEQ-UHFFFAOYSA-N	357.391	4.479	5	50	FIBA	
CC(=O)Oc1ccc2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)c(C)oc2c1C	5678361	ZHFIUXRKENFPTQ-UHFFFAOYSA-N	369.329	4.036	5	50	FIBA