smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1ccc(C2SCCS2)cc1	2006803	BNKRXKGMJHJTHQ-UHFFFAOYSA-N	227.310	3.073	5	40	BGBB	
COc1nc(C)nc2c1ccc1ccccc12	345645	LMJGNIHVWFOBDS-UHFFFAOYSA-N	224.263	3.100	5	40	BGBB	
Cc1cc([N+](=O)[O-])cc2nc(C(C)C)oc12	226240823	KTHKQHSJRDGVNX-UHFFFAOYSA-N	220.228	3.168	5	40	BGBB	
Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2c1C	165873535	LHLNNPZAPGQFNH-UHFFFAOYSA-N	236.658	3.413	5	40	BGBB	
CCCOc1cc(C)c(Cl)cc1[N+](=O)[O-]	1565504720	JSFHVSDTCYPBOV-UHFFFAOYSA-N	229.663	3.345	5	40	BGBB	
C[C@@H]1C[C@@H](C)CN(Cc2ccc([N+](=O)[O-])cc2)C1	57476677	NZRQUCHMNUSTQX-VXGBXAGGSA-N	248.326	3.073	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)ccc1N1CCCCC1	4004780	YTFSYIPAIYQDPS-UHFFFAOYSA-N	240.690	3.239	5	40	BGBB	
O=[N+]([O-])c1cccc(F)c1SC(F)F	604221673	RNTZABDKVOGZSP-UHFFFAOYSA-N	223.175	3.049	5	40	BGBB	
O=Cc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1	7610268	ZZFNVYAEMXUDOC-UHFFFAOYSA-N	243.218	3.200	5	40	BGBB	
CC1=Nc2ccc([N+](=O)[O-])cc2N=C(C)C1	104143557	XGWOKQYGEIQKMO-UHFFFAOYSA-N	217.228	3.183	5	40	BGBB	
CC(C)[C@@H](C)Nc1ccccc1[N+](=O)[O-]	20298718	HBPSTNGDALJIPE-SECBINFHSA-N	208.261	3.051	5	40	BGBB	
c1ccc2c(c1)c1ncccc1c1nccnc21	1705826	JVIFQXVGBFXTSC-UHFFFAOYSA-N	231.258	3.331	5	40	BGBB	
O=[N+]([O-])c1cc(F)ccc1OC1CCCCC1	67800512	DTFNRAJZNWYCQS-UHFFFAOYSA-N	239.246	3.445	5	40	BGBB	
CC(C)(C)Nc1ccc([N+](=O)[O-])cc1Cl	5189005	QAAKTEBKCBVQKL-UHFFFAOYSA-N	228.679	3.459	5	40	BGBB	
O=c1c2ccccc2ccc2sccc12	4128745	AKYJPOPHGMQXHH-UHFFFAOYSA-N	212.273	3.415	5	40	BGBB	in-vitro
O=[N+]([O-])c1ccc(CCc2ccccc2)cc1	6096238	FCVDHPQXWWONCH-UHFFFAOYSA-N	227.263	3.380	5	40	BGBB	
CN(c1ccc([N+](=O)[O-])cc1)C1CCCCC1	4115617	BUAWHSJXOIAQRZ-UHFFFAOYSA-N	234.299	3.364	5	40	BGBB	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(F)F	575629132	KBSBNMJXJDEFPM-UHFFFAOYSA-N	226.182	3.322	5	40	BGBB	
CN(C)c1cc(=O)c2ccc3ccccc3c2o1	1566062	NXOPTRFWHJTSOT-UHFFFAOYSA-N	239.274	3.012	5	40	BGBB	
COc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1	3843449	YKTYQEDBWQCKII-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	biogenic
O=C(Cc1ccccc1)c1cccc([N+](=O)[O-])c1	2392956	HICPDCXXDMOUMD-UHFFFAOYSA-N	241.246	3.020	5	40	BGBB	
COc1ccc2ccc3oc(=O)c(C)cc3c2c1	1646585	GCMWRZRNFGLGQA-UHFFFAOYSA-N	240.258	3.263	5	40	BGBB	
Cc1cc(Cl)c2ccc([N+](=O)[O-])cc2n1	95534942	FYBAXVMRTNOOMR-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
O=c1ccc2cc3ccccc3cc2cc1	3847106	KXGQRCFOUZULCD-UHFFFAOYSA-N	206.244	3.353	5	40	BGBB	biogenic
O=[N+]([O-])c1cc(F)ccc1N1CCCCCC1	59952811	UHPFCKXIZCXRDE-UHFFFAOYSA-N	238.262	3.114	5	40	BGBB	
COc1ccc2cc3cnccc3cc2c1OC	1561147	ZDQCQWXDJLUPIP-UHFFFAOYSA-N	239.274	3.405	5	40	BGBB	
C[N+]1(CSc2ccccc2)CCCCC1	1563694	XVAIOGMCEMHVLW-UHFFFAOYSA-N	222.377	3.367	5	40	BGBB	
CCCCOc1ccc([N+](=O)[O-])c2cccnc12	212141243	WVRKIALOPNDETG-UHFFFAOYSA-N	246.266	3.322	5	40	BGBB	
Nc1ccc(/C=C/c2ccccc2)c([N+](=O)[O-])c1	1714358	LKEBMAHZARCAPS-VOTSOKGWSA-N	240.262	3.347	5	40	BGBB	
COc1cccc2cc3ccccc3nc12	16228298	BPVTYXRNFNUPSR-UHFFFAOYSA-N	209.248	3.397	5	40	BGBB	
O=C1CCCCC[C@@H]1c1ccc([N+](=O)[O-])cc1	62616094	HUTOIIXRMMHYKV-GFCCVEGCSA-N	233.267	3.212	5	40	BGBB	
O=c1c2ccccc2oc2ccc(F)cc12	35904781	AWMISBKXHLTLHZ-UHFFFAOYSA-N	214.195	3.085	5	40	BGBB	
O=[N+]([O-])c1ccc(/C=C/c2ccsc2)nc1	84503465	FXRWWFLTLHKSQD-OWOJBTEDSA-N	232.264	3.222	5	40	BGBB	
c1ccc2c(c1)C[N+]1(CCCCCCC1)C2	1594945	HQTGFNUTXLZODF-UHFFFAOYSA-N	216.348	3.481	5	40	BGBB	
Cc1cc(C)c2cc3cccc[n+]3cc2c1	1713656	JMUFKDMKOPGOLI-UHFFFAOYSA-N	208.284	3.195	5	40	BGBB	
Cc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1	332370	GTPDCZXPNKYFHC-UHFFFAOYSA-N	241.246	3.134	5	40	BGBB	
Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc(C)n1	13283292	VHKXFEZYOOKFKG-UHFFFAOYSA-N	228.251	3.274	5	40	BGBB	
O=Cc1cccc(Oc2cccc([N+](=O)[O-])c2)c1	69326977	VFPGFAKLECSSJS-UHFFFAOYSA-N	243.218	3.200	5	40	BGBB	
O=[N+]([O-])c1ccc(O[P@]2(=O)C=CCC2)cc1	1719976	MNAXXBUIBZRUSH-MRXNPFEDSA-N	239.167	3.169	5	40	BGBB	
O=[N+]([O-])c1ccccc1Nc1cccc(F)c1	4933963	UVFHTYFDGVMEAP-UHFFFAOYSA-N	232.214	3.478	5	40	BGBB	
O=[N+]([O-])c1cccc(C(F)(F)C(F)(F)F)c1	141933973	PTNKXRHFXJJVLK-UHFFFAOYSA-N	241.115	3.249	5	40	BGBB	
Cc1ccc(COc2ccccc2[N+](=O)[O-])cc1	39650955	BYDZTJSNSRWKDD-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
O=c1c2ccccc2[nH]c2c1[nH]c1ccccc12	5478889	AETJISOJRRTLLJ-UHFFFAOYSA-N	234.258	3.163	5	40	BGBB	biogenic
CC(C)(C)c1cc(O)nc2ccc([N+](=O)[O-])cc12	685937237	CXSUFOLBMHDUDN-UHFFFAOYSA-N	246.266	3.146	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)c2nc(Cl)ccc2c1	685937883	YRQKASDBTSQQAS-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
O=[N+]([O-])c1cc2c(ccc3occc32)o1	1574574	CIZQUNGDZXJWAU-UHFFFAOYSA-N	203.153	3.087	5	40	BGBB	
O=[N+]([O-])c1cnccc1Nc1ccc(Cl)cc1	4794313	KAMDRDMOIHSXAL-UHFFFAOYSA-N	249.657	3.387	5	40	BGBB	
Cc1csc(-c2ccccc2[N+](=O)[O-])n1	83015939	RYCGIRYIPVPVRB-UHFFFAOYSA-N	220.253	3.027	5	40	BGBB	
CCc1cc([N+](=O)[O-])ccc1N1CCCCC1	226315175	WZMOJZONFJPPGY-UHFFFAOYSA-N	234.299	3.148	5	40	BGBB	
C[C@]1(Cc2ccccc2)C[N+]12CCCCC2	6491117	BYFJSPWUFKLJLK-HNNXBMFYSA-N	216.348	3.002	5	40	BGBB	
Cc1ccccc1COc1ccc([N+](=O)[O-])cc1	78421654	UVZXKWFFFXEFCB-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
CC(C)OCCSc1ccc([N+](=O)[O-])cc1	95351478	PKWJDRHWJCLZTG-UHFFFAOYSA-N	241.312	3.112	5	40	BGBB	
O=[N+]([O-])c1ccccc1N1CCc2ccccc21	4905580	RVXUURHLLXMPET-UHFFFAOYSA-N	240.262	3.289	5	40	BGBB	
O=[N+]([O-])c1cc(OC2CC2)cc(C(F)(F)F)c1	95735536	JIHDWRHZSGGLSQ-UHFFFAOYSA-N	247.172	3.155	5	40	BGBB	
CC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1	1556592	MTZQSMJVDMLVAV-UHFFFAOYSA-N	241.246	3.464	5	40	BGBB	
O=[N+]([O-])c1c(Cl)ccc2c(Cl)ccnc12	1640985	BVDZJEJLGLITID-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
Cc1ccc(Nc2ccncc2[N+](=O)[O-])cc1	60342792	BDHDKEJEGMXGIL-UHFFFAOYSA-N	229.239	3.042	5	40	BGBB	in-vitro
O=[N+]([O-])c1c(F)cccc1SC(F)F	604221515	GUAXKOJVMLETSL-UHFFFAOYSA-N	223.175	3.049	5	40	BGBB	
O=[N+]([O-])c1c(C(F)(F)F)ccc2cccnc12	98181688	YAOXZMKMCOASNE-UHFFFAOYSA-N	242.156	3.162	5	40	BGBB	
CC[N+](CC)(CC)CC(F)(F)C(F)(F)F	72266198	AYQAHZZTTXCNLN-UHFFFAOYSA-N	234.232	3.061	5	40	BGBB	
C[C@@]12CCCC[N@@+]1(C)CCC1=C2CCC1	245231476	DJNDPFGUGUOKJI-GJZGRUSLSA-N	206.353	3.260	5	40	BGBB	
CC(C)CCNc1ccc([N+](=O)[O-])cc1	20545636	RSZOPJQGGYFSTG-UHFFFAOYSA-N	208.261	3.053	5	40	BGBB	
O=[N+]([O-])c1cc2ccc3ccoc3c2o1	1574575	GSJMFAIJSAEECG-UHFFFAOYSA-N	203.153	3.087	5	40	BGBB	
CCCn1c(Cl)nc2cc([N+](=O)[O-])ccc21	256051581	JTAUQVHXNDRUJW-UHFFFAOYSA-N	239.662	3.008	5	40	BGBB	
Cc1ccsc1C(=O)c1ccccc1[N+](=O)[O-]	1580200	NYDMHDLMTWFNRD-UHFFFAOYSA-N	247.275	3.196	5	40	BGBB	
CC(=O)Nc1ccnc2c1ccc1ccccc12	40384291	LNDIOPYFDXWMJW-UHFFFAOYSA-N	236.274	3.346	5	40	BGBB	
O=[N+]([O-])c1cccc(C2SCCCS2)c1	6509162	SOQLUIIXIBGXGG-UHFFFAOYSA-N	241.337	3.464	5	40	BGBB	
Cc1cc([N+](=O)[O-])c2ncccc2c1Cl	205625894	XPISAOCZIULRRP-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
CC[N+](CC)(CC)Cc1ccc(C)cc1	39424727	LCYACVDDZMKDKT-UHFFFAOYSA-N	206.353	3.372	5	40	BGBB	
O=[N+]([O-])c1ccc2cc(Cl)ccc2c1	71256693	ZPFNCCOUGPMGHT-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
Nc1c(C=O)ccc2cc3ccccc3cc12	3844882	OMNBBWGVTXDADZ-UHFFFAOYSA-N	221.259	3.388	5	40	BGBB	biogenic
O=[N+]([O-])c1ccc(Br)cc1Cl	96191028	QWRNVDWDFCINEY-UHFFFAOYSA-N	236.452	3.011	5	40	BGBB	
COc1ccc2[nH]cc(C(F)F)c2c1[N+](=O)[O-]	575628825	BDIBRCQSJMIBBR-UHFFFAOYSA-N	242.181	3.022	5	40	BGBB	
Cc1cccc2c(Cl)c([N+](=O)[O-])cnc12	165857887	HSIHPRHIBLGDGE-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
CC[N+]1(CC)Cc2cccc(Cl)c2C1	494895	QIZYGRSMLFOTTB-UHFFFAOYSA-N	210.728	3.210	5	40	BGBB	
COc1ccccc1Nc1ccccc1[N+](=O)[O-]	32264713	GLFIGGLPOXATJW-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
CC(C)n1c(Cl)nc2cc([N+](=O)[O-])ccc21	256052718	OJRPVCBSKBFCRH-UHFFFAOYSA-N	239.662	3.179	5	40	BGBB	
O=[N+]([O-])c1ccc2c(c1)O[C@@H](c1ccccc1)O2	5119360	QFNFYACVAFGVLP-ZDUSSCGKSA-N	243.218	3.065	5	40	BGBB	
O=[N+]([O-])c1ccc2nc(-c3ccccc3)oc2c1	3015407	AYJKXHHUESVOBM-UHFFFAOYSA-N	240.218	3.403	5	40	BGBB	
Cc1ccc(Cl)c([N+](=O)[O-])c1Cl	5781227	JPGMJOAPBGZPKD-UHFFFAOYSA-N	206.028	3.210	5	40	BGBB	
O=[N+]([O-])c1ccc([C@@H]2O[C@@H]2c2ccccc2)cc1	1728004	YUZKNYLREGXARL-KGLIPLIRSA-N	241.246	3.407	5	40	BGBB	
COc1ccc(Oc2ccccc2[N+](=O)[O-])cc1	28149	FGSKHRBOXIIWTN-UHFFFAOYSA-N	245.234	3.396	5	40	BGBB	
c1ccc2c(c1)ncn1c3ccccc3nc21	580079	IGVLQHFYFPHALQ-UHFFFAOYSA-N	219.247	3.036	5	40	BGBB	
CC1(C)c2ccccc2C(C)(C)[N+]1(C)C	1703530	JOZGKPJTBSTWFC-UHFFFAOYSA-N	204.337	3.247	5	40	BGBB	
Cn1c2ccccc2c2[nH]c3ccccc3c(=O)c21	5478890	QVDRLIBKQUXZIZ-UHFFFAOYSA-N	248.285	3.173	5	40	BGBB	
O=[N+]([O-])c1ccccc1OCc1ccccc1F	97526696	MFHHYGZMFVBMQK-UHFFFAOYSA-N	247.225	3.313	5	40	BGBB	
Cc1cc2ncccc2c([N+](=O)[O-])c1Cl	2583529	ZSJQUKKPQKEEPP-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	in-vitro
O=[N+]([O-])c1c(F)cccc1OC1CCCCC1	54268888	QHDCSADTLWRGPV-UHFFFAOYSA-N	239.246	3.445	5	40	BGBB	
Cc1cccc(Sc2ccc([N+](=O)[O-])cn2)c1	481396	DBVVGFFPNZIVTA-UHFFFAOYSA-N	246.291	3.449	5	40	BGBB	
C[C@]12CCCC[N@@+]1(C)CCC1=C2CCC1	245231475	DJNDPFGUGUOKJI-CABCVRRESA-N	206.353	3.260	5	40	BGBB	biogenic
O=[N+]([O-])c1ccc([C@H]2ON2c2ccccc2)cc1	1719096	UXGNBGDQDYXLPU-KWCCSABGSA-N	242.234	3.045	5	40	BGBB	
Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cn2)c1	19651537	KRPWMWHLCYWRAB-UHFFFAOYSA-N	244.250	3.399	5	40	BGBB	
O=[N+]([O-])c1cccc([C@@H](F)C(F)(F)F)c1	107262077	AJYXKKGPBOPKNL-SSDOTTSWSA-N	223.125	3.168	5	40	BGBB	
CCCC[C@@H](CC)Cn1ccc([N+](=O)[O-])n1	71978419	VNEMCWKPMYCDPV-SNVBAGLBSA-N	225.292	3.008	5	40	BGBB	
O=[N+]([O-])[C@@H]1CC12c1ccccc1-c1ccccc12	4983017	UQJXUNBFXGVJRB-CQSZACIVSA-N	237.258	3.002	5	40	BGBB	
Nc1cccc(/C=C/c2ccc([N+](=O)[O-])cc2)c1	1749018	GQSCACVFRHCRBH-SNAWJCMRSA-N	240.262	3.347	5	40	BGBB	
CC[C@@H](C)Oc1ccc([N+](=O)[O-])c2cccnc12	225394233	WHHNTQDQDPKMNP-SECBINFHSA-N	246.266	3.320	5	40	BGBB	
O=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	36559212	YHJOCOLOSPOFNR-UHFFFAOYSA-N	220.999	3.300	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)c(O)c2ccccc12	98175195	HSXOURGKOMRHEQ-UHFFFAOYSA-N	223.615	3.107	5	40	BGBB	
C[C@]12CCCC[N@+]1(C)CCC1=C2CCC1	245231477	DJNDPFGUGUOKJI-HUUCEWRRSA-N	206.353	3.260	5	40	BGBB	biogenic
N#[N+]c1ccc2[nH]c3ccccc3c(=O)c2c1	5052380	SDFMSBJPMAFONG-UHFFFAOYSA-O	222.227	3.166	5	40	BGBB	
Cc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1	380904	PRCTVSQZQADBCX-BQYQJAHWSA-N	244.250	3.370	5	40	BGBB	
COc1ccc([N+](=O)[O-])cc1-c1ccccc1	2513834	DFVBQSMLKLCRCB-UHFFFAOYSA-N	229.235	3.270	5	40	BGBB	
O=[N+]([O-])c1ccc2nc(C(F)(F)F)sc2c1	85221803	XYLUTQBQCRJQFR-UHFFFAOYSA-N	248.185	3.223	5	40	BGBB	
Oc1cccc2nc3ccc(Cl)cc3nc12	76495132	WABDLXTYWDAQTO-UHFFFAOYSA-N	230.654	3.142	5	40	BGBB	
C[N+](C)(C)[C@H]1/C=C(\Cl)CCC=C(Cl)C1	104101234	KTRRGTPPOPVILQ-KFDHJIAASA-N	235.178	3.491	5	40	BGBB	
Cc1cc(C=Cc2ccco2)c(N)cc1[N+](=O)[O-]	2049238475	DUOMEKQTJDBMLJ-UHFFFAOYSA-N	244.250	3.249	5	40	BGBB	
Cc1ccc2nc3nc(C)cc(C)c3c(N)c2c1	19702173	MCFQYUOUPDBYKQ-UHFFFAOYSA-N	237.306	3.290	5	40	BGBB	
O=[N+]([O-])c1cc(C(F)F)ccc1Cl	95935166	XMWDAPPKYATHDH-UHFFFAOYSA-N	207.563	3.186	5	40	BGBB	in-vitro
O=[N+]([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1c1ccccc1Cl	104282196	GNXJLTPKYBBZTK-DTVLGXAZSA-N	249.697	3.275	5	40	BGBB	
O=[N+]([O-])c1ccccc1C(F)(F)C(F)(F)F	169801350	OIICZKWDOWBHOS-UHFFFAOYSA-N	241.115	3.249	5	40	BGBB	
c1cc2c3nn[nH]c3c3ccsc3c2s1	1857795416	LHUPKZULYGTQRS-UHFFFAOYSA-N	231.305	3.387	5	40	BGBB	
Cc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1C	92595	WGHRCEODKMATSG-UHFFFAOYSA-N	244.250	3.399	5	40	BGBB	
O=[N+]([O-])c1ccc(F)cc1SC(F)F	604221690	VNTUNWJAGKGILR-UHFFFAOYSA-N	223.175	3.049	5	40	BGBB	
O=[N+]([O-])c1cnc2ccc3ccccc3c2c1	1713546	BIAPPODRVJCOSO-UHFFFAOYSA-N	224.219	3.296	5	40	BGBB	
O=c1c2cc(F)ccc2oc2ccc(F)cc12	4118138	UCHFSOIVJHIPDA-UHFFFAOYSA-N	232.185	3.224	5	40	BGBB	biogenic
Cc1cc2ccc(Cl)nc2cc1[N+](=O)[O-]	675031187	YIVDCVWRECTGQU-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
C[N+](C)(C)[C@@H](c1ccccc1)C1(O)CCCCC1	6519625	NBILPLXWGXOXET-HNNXBMFYSA-N	248.390	3.129	5	40	BGBB	
O=[N+]([O-])c1cc(F)ccc1OC1CCCC1	67800513	MITTZHZCUNBKQB-UHFFFAOYSA-N	225.219	3.055	5	40	BGBB	
Nc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-]	5510795	ONACKPWEWTTYFH-UHFFFAOYSA-N	241.461	3.137	5	40	BGBB	
CCCCCC[N+]1(C)C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	103922262	QYEDHFFPKRQQKH-UIJGJVKASA-N	234.407	3.465	5	40	BGBB	
CNc1ccc(Oc2ccccc2)cc1[N+](=O)[O-]	4823076	YBZDGUKDRPGRLP-UHFFFAOYSA-N	244.250	3.429	5	40	BGBB	
CCCCCC[N+]1(C)C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2C1	103922266	QYEDHFFPKRQQKH-VGWMRTNUSA-N	234.407	3.465	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1NC(C)(C)C	4115606	YBCBOQWQQJZXMG-UHFFFAOYSA-N	208.261	3.114	5	40	BGBB	
Cc1cc(C)c(C[N+](C)(C)C)c(C)c1C	1555300	JKBUEMOQWBZVOO-UHFFFAOYSA-N	206.353	3.126	5	40	BGBB	
CCCCNc1ccc([N+](=O)[O-])cc1C	36950023	FHQJOWDUDAKDSM-UHFFFAOYSA-N	208.261	3.115	5	40	BGBB	
CC(C)c1cc([N+](=O)[O-])cc(C(C)C)c1N	4202647	VQMXCKREXFUBLS-UHFFFAOYSA-N	222.288	3.424	5	40	BGBB	
NC(=O)c1cc2ccccc2c2ccccc12	1577087	RKCQJTTZAYJPKC-UHFFFAOYSA-N	221.259	3.092	5	40	BGBB	
O=[N+]([O-])c1cc2ccccc2cc1Cl	71256654	BUJHUYMLGZRWQZ-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
CC(C)(C)Nc1ccc(Cl)cc1[N+](=O)[O-]	4293895	ADGFDYKYRZVRQG-UHFFFAOYSA-N	228.679	3.459	5	40	BGBB	
CNc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	4823075	LTDSADSPDPDWRR-UHFFFAOYSA-N	228.251	3.304	5	40	BGBB	
O=[N+]([O-])c1sccc1Oc1ccccc1	39474970	DLPRUXZSTSGFPU-UHFFFAOYSA-N	221.237	3.449	5	40	BGBB	
Cc1c2ccccc2[n+](C)c2ccccc12	11536289	XGQUWOQWKDIOBV-UHFFFAOYSA-N	208.284	3.126	5	40	BGBB	
Oc1ccc2cc3ccc(O)cc3c(O)c2c1	406206	FWWZGWJVOAEXRX-UHFFFAOYSA-N	226.231	3.110	5	40	BGBB	
O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)s1	1650864	FWBJYBHOUJJDEN-UHFFFAOYSA-N	233.248	3.136	5	40	BGBB	
CC[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-]	87150654	WAXHVPFXOANAOC-SECBINFHSA-N	208.261	3.114	5	40	BGBB	
O=[N+]([O-])c1c(F)cccc1OC1CCCC1	54268889	LCNXZOGSJJBYBU-UHFFFAOYSA-N	225.219	3.055	5	40	BGBB	
Cc1noc(/C=C\c2cccs2)c1[N+](=O)[O-]	33745168	HWGLLYJNZYAASW-PLNGDYQASA-N	236.252	3.123	5	40	BGBB	
C[C@@H]1CC(C)(C)Nc2cc([N+](=O)[O-])ccc21	72422463	WTTYAOABQPRBCC-MRVPVSSYSA-N	220.272	3.293	5	40	BGBB	
CC(C)(C)COc1ccccc1[N+](=O)[O-]	72482118	NHGTVPMHHZFTLV-UHFFFAOYSA-N	209.245	3.020	5	40	BGBB	
Cc1cc([N+](=O)[O-])c(Cl)nc1C(C)C	146445760	ODHYOJGMEZYYQE-UHFFFAOYSA-N	214.652	3.075	5	40	BGBB	
O=[N+]([O-])c1ccc(SNc2ccccn2)cc1	992505	NHRKXPCRTQULCO-UHFFFAOYSA-N	247.279	3.109	5	40	BGBB	
O=[N+]([O-])/C(=C/c1ccco1)c1ccccc1	4777602	LFSYGMWMKSOMBT-FMIVXFBMSA-N	215.208	3.054	5	40	BGBB	
C[C@H]1C[C@@H](C)CN(Cc2ccc([N+](=O)[O-])cc2)C1	57476675	NZRQUCHMNUSTQX-TXEJJXNPSA-N	248.326	3.073	5	40	BGBB	
O=[N+]([O-])[C@@H]1[C@H](c2ccccc2Cl)[C@@H]2C=C[C@H]1C2	5889035	GNXJLTPKYBBZTK-PSJXJDHFSA-N	249.697	3.275	5	40	BGBB	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccco1	25581343	TUILFANWKMNASD-VIFPVBQESA-N	232.239	3.361	5	40	BGBB	
O=NN(c1ccccc1)c1ccc([N+](=O)[O-])cc1	5104153	HDKIMHWOSSQGFS-UHFFFAOYSA-N	243.222	3.414	5	40	BGBB	
CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl	21013677	CVONUBAUWFZHGO-SSDOTTSWSA-N	228.679	3.459	5	40	BGBB	
O=[N+]([O-])/C(=C\c1ccco1)c1ccccc1	1666152	LFSYGMWMKSOMBT-XFXZXTDPSA-N	215.208	3.054	5	40	BGBB	
C[N+]1(Cc2ccccc2)CC12CCCCC2	5085934	DKBVJLPSQMITQY-UHFFFAOYSA-N	216.348	3.350	5	40	BGBB	
CC(=O)c1coc2ccc3ccccc3c2c1=O	481113	RTBHOGBNUUUJLZ-UHFFFAOYSA-N	238.242	3.149	5	40	BGBB	
CC[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-]	36964519	QLORJLAVUIVURE-SECBINFHSA-N	208.261	3.114	5	40	BGBB	
O=c1c2cccc3ccc4cccc1c4c32	1719713	IFCBMPOMNSORDG-UHFFFAOYSA-N	204.228	3.382	5	40	BGBB	biogenic,in-vitro
O=[N+]([O-])c1ccc(O)c(C2CCCCC2)c1	31308446	JXGVRKOUPGWANZ-UHFFFAOYSA-N	221.256	3.348	5	40	BGBB	
O=[N+]([O-])c1ccc2[nH]c(C(F)(F)F)cc2c1	34536670	ZEDPJKDKJUSCEZ-UHFFFAOYSA-N	230.145	3.095	5	40	BGBB	in-vitro
O=[N+]([O-])c1cc(Cl)ccc1OCC1CCC1	96034543	ILJOTJDZZOMMTF-UHFFFAOYSA-N	241.674	3.427	5	40	BGBB	
O=[N+]([O-])c1ccc2c(c1)[nH]c1ccccc12	1767997	RSSFRJAJZYDBDI-UHFFFAOYSA-N	212.208	3.229	5	40	BGBB	
Cc1c([N+](=O)[O-])cnc2ccc(Cl)cc12	205221595	QPHYRIWTOGRGTG-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
COc1ccccc1Oc1ccccc1[N+](=O)[O-]	166758	DFUIXWANLWLQIQ-UHFFFAOYSA-N	245.234	3.396	5	40	BGBB	
O=[N+]([O-])c1ccc(OCc2ccc(F)cc2)cc1	564514	UAGGMCOPDNFQDW-UHFFFAOYSA-N	247.225	3.313	5	40	BGBB	
Cc1ccc(C[N+](C)(C)C)c2ccccc12	1767591	RKHQZOMCHVYVEI-UHFFFAOYSA-N	214.332	3.354	5	40	BGBB	
O=[N+]([O-])c1cccc(/C=C\c2ccccn2)c1	12340238	NFTQPJVUAHNPTC-FPLPWBNLSA-N	226.235	3.160	5	40	BGBB	
Cc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1	95221094	AEVHCQGUOFFWAC-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
CC(C)(C)[C@H](c1ccccc1)[N+](C)(C)C	1637919	KRENJJZFQFXDCF-ZDUSSCGKSA-N	206.353	3.480	5	40	BGBB	
CCCN(CCC)c1ccc([N+](=O)[O-])cc1	34156425	GZCIRDMRXVOXPH-UHFFFAOYSA-N	222.288	3.221	5	40	BGBB	
O=[N+]([O-])c1ccc([C@@H]2CC2(Cl)Cl)cc1	369298	RCBACYZXMAMNRN-QMMMGPOBSA-N	232.066	3.256	5	40	BGBB	
CC[N+](C)(C)Cc1ccc(C(C)C)cc1	1691044	GJBMVQSICMZBQB-UHFFFAOYSA-N	206.353	3.406	5	40	BGBB	
CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1	20298725	ZRWLHKJBHBNKSL-SECBINFHSA-N	208.261	3.051	5	40	BGBB	
N#[N+]c1ccc2[nH]c(=O)c3ccccc3c2c1	17429269	HOVVOEVHRPLLOZ-UHFFFAOYSA-O	222.227	3.166	5	40	BGBB	
CN(C)c1cc(=O)c2c(ccc3ccccc32)o1	1566060	GBBYIURNUUGRIA-UHFFFAOYSA-N	239.274	3.012	5	40	BGBB	
Cc1cc(/C=C/c2ccco2)c(N)cc1[N+](=O)[O-]	3844614	DUOMEKQTJDBMLJ-SNAWJCMRSA-N	244.250	3.249	5	40	BGBB	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccco1	25581337	TUILFANWKMNASD-SECBINFHSA-N	232.239	3.361	5	40	BGBB	
Cc1ccc2ccc3ccccc3c2[n+]1C	223813038	MRGSPSTUVJOZMJ-UHFFFAOYSA-N	208.284	3.126	5	40	BGBB	
O=[N+]([O-])c1ccc(SC(F)(F)F)cc1F	604221637	MMJUPROKIUHBTM-UHFFFAOYSA-N	241.165	3.346	5	40	BGBB	
O=[N+]([O-])c1cccc([C@H]2C[C@@H]2C(F)(F)F)c1	96308270	DHBWUJBSDNVHTQ-BDAKNGLRSA-N	231.173	3.261	5	40	BGBB	
CCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C)C1	226315566	NWZMCVGTRJDULN-LLVKDONJSA-N	248.326	3.394	5	40	BGBB	
Cc1cc(-c2ccc(C=O)o2)cc([N+](=O)[O-])c1C	1406792	IWKKQXKQEIDCFW-UHFFFAOYSA-N	245.234	3.284	5	40	BGBB	
O=[N+]([O-])c1cnccc1/C=C\c1ccccc1	5010907	BAQXUBKOJPVCJG-SREVYHEPSA-N	226.235	3.160	5	40	BGBB	
Cc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]	1656029	WOVNZYUOPUALPT-UHFFFAOYSA-N	238.243	3.109	5	40	BGBB	
CC(=O)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	1683793	FRVFMCRPKGKETG-UHFFFAOYSA-N	234.038	3.104	5	40	BGBB	
COc1ccc2cc3ccncc3cc2c1OC	1561336	PENBNJPEHXNYHF-UHFFFAOYSA-N	239.274	3.405	5	40	BGBB	
O=[N+]([O-])c1cccc(SC(F)F)c1F	604221613	MCAUGLXSCCIWTL-UHFFFAOYSA-N	223.175	3.049	5	40	BGBB	
Cc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-]	2382348	HMRYPTHOPWUPOB-UHFFFAOYSA-N	219.162	3.230	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)ccc1OCC1CC1	95347631	JKOLPQRPTIVLSC-UHFFFAOYSA-N	227.647	3.037	5	40	BGBB	in-vitro
C/C(=C\c1cc2ccccc2o1)[N+](=O)[O-]	4709421	PFYDARLUPBTVBB-SOFGYWHQSA-N	203.197	3.070	5	40	BGBB	
Cc1c2ccccc2c(CNN)c2ccccc12	90613270	IZONICWYCLAFRT-UHFFFAOYSA-N	236.318	3.265	5	40	BGBB	
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCCCC3	12997565	ZXUIDRXMXLBYIE-UHFFFAOYSA-N	230.267	3.345	5	40	BGBB	
c1ccc2cc3c(cc2c1)C[N+]1(CCCC1)C3	1260359	REHMDWOLPXWPAT-UHFFFAOYSA-N	224.327	3.464	5	40	BGBB	
CC(C)(C)c1cc2c([N+](=O)[O-])cccc2[nH]1	15443559	JUBMRBBJHHFNCX-UHFFFAOYSA-N	218.256	3.374	5	40	BGBB	
Cc1cc(Cl)c([N+](=O)[O-])c2cccnc12	96029319	KKLDDPKYUWMGOW-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
CCCCCNc1ccccc1[N+](=O)[O-]	21814075	ZDBRHTYGQVFIEY-UHFFFAOYSA-N	208.261	3.197	5	40	BGBB	
CCc1c(O)c2ccc3ccccc3c2oc1=O	104037830	AFKBVBNVXUJJCN-UHFFFAOYSA-N	240.258	3.214	5	40	BGBB	
C[N+](C)(C)CCCCCCCCC[N+](C)(C)C	1730256	YQIXJBMRVGLUGE-UHFFFAOYSA-N	244.467	3.130	5	40	BGBB	
Cc1noc(/C=C\c2ccccc2)c1[N+](=O)[O-]	4820282	SDCPXLWJUGXAEK-FPLPWBNLSA-N	230.223	3.062	5	40	BGBB	
O=[N+]([O-])c1cc(NCC2CC2)ccc1Cl	37061107	AKHSYBHJMONUHP-UHFFFAOYSA-N	226.663	3.070	5	40	BGBB	in-vitro
CC[N+](CC)(CC)CC(C)(C)C(F)(F)F	1083813830	XFFMUCMZFMKEMI-UHFFFAOYSA-N	226.306	3.451	5	40	BGBB	
C[N+](C)(C)C1c2ccccc2-c2ccccc21	1682972	YXQDGYICMOXLMO-UHFFFAOYSA-N	224.327	3.463	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)cc2cc(Cl)cnc12	1856927	HZYKVJJNFZDQPX-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
Clc1cccc2cc3cccc[n+]3cc12	1713646	QDFMFYQVJAAEPG-UHFFFAOYSA-N	214.675	3.232	5	40	BGBB	
O=[N+]([O-])c1cccc([C@H]2ON2C2CCCCC2)c1	5004804	IOXPEEMDMAXKEF-KWCCSABGSA-N	248.282	3.173	5	40	BGBB	
C[N+](C)(C)Cc1ccc2ccccc2c1	4828814	OATDUTNIPAHZPZ-UHFFFAOYSA-N	200.305	3.046	5	40	BGBB	
C[N+](C)(C)[C@H]1/C=C(\Cl)CC/C=C(\Cl)C1	31939066	KTRRGTPPOPVILQ-BQJKLLSDSA-N	235.178	3.491	5	40	BGBB	
Nc1cc2ccc(O)cc2c2ccccc12	1569678	CCFSUVJCUMZGNO-UHFFFAOYSA-N	209.248	3.281	5	40	BGBB	
CSc1cc([N+](=O)[O-])ccc1Br	21982633	RXRSHKRPNRPAPU-UHFFFAOYSA-N	248.101	3.079	5	40	BGBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc2cccnc12	149423428	HKDSUCURUCNLOW-UHFFFAOYSA-N	242.156	3.162	5	40	BGBB	
Cc1cc2nc(Cl)ccc2cc1[N+](=O)[O-]	26506484	IIISQYIMSHQQLC-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
CSc1ccc([N+](=O)[O-])cc1Br	142102640	PEIKFCQVYMNYBA-UHFFFAOYSA-N	248.101	3.079	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)cc2nc(Cl)oc12	953056087	LEIXBBVKUKMZML-UHFFFAOYSA-N	233.010	3.043	5	40	BGBB	
CCc1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	226315200	BOUPIXAQQFCKKY-UHFFFAOYSA-N	248.326	3.394	5	40	BGBB	
CC(C)(C)COc1cccc(F)c1[N+](=O)[O-]	67800670	MATFCRDOURIWIT-UHFFFAOYSA-N	227.235	3.159	5	40	BGBB	
Cc1cc(Cl)nc(-c2cccc([N+](=O)[O-])c2)n1	32628215	NXSVTABWELHVGK-UHFFFAOYSA-N	249.657	3.014	5	40	BGBB	in-vitro
O=[N+]([O-])c1ccc2scc(Cl)c2c1O	228938131	AJCDRBGGWIZJLL-UHFFFAOYSA-N	229.644	3.169	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@@H](C)C1	216767142	OIRYPGJAQWXTFS-GHMZBOCLSA-N	248.326	3.386	5	40	BGBB	
C[N+](C)(C)CCc1ccc2ccccc2c1	1563805	XNUUTYYVGKJMSA-UHFFFAOYSA-N	214.332	3.089	5	40	BGBB	
CN(C)c1ccc2oc(=O)c3ccccc3c2c1	4826299	FYVPPRKWSFDKOR-UHFFFAOYSA-N	239.274	3.012	5	40	BGBB	
O=c1c2cnccc2cc2c3ccccc3ccn12	1648896	MHAOLOCIMUJCIB-UHFFFAOYSA-N	246.269	3.001	5	40	BGBB	
O=[N+]([O-])c1ccc2c(c1)O[C@H](c1ccccc1)O2	1717498	QFNFYACVAFGVLP-CYBMUJFWSA-N	243.218	3.065	5	40	BGBB	
COCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	20154451	FQTAGWBYSAFWQK-UHFFFAOYSA-N	233.223	3.001	5	40	BGBB	
CCCC[N+]1(C)C[C@H]2CC=C(Cl)C[C@H]2C1	101175058	LEPNHGPYAZHNQP-ZVORSSOTSA-N	228.787	3.396	5	40	BGBB	
Cc1ccc(N2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1	216766514	LLSSAIAOTKRDKT-VXGBXAGGSA-N	248.326	3.386	5	40	BGBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1Cl	4782879	PCVJAZCSKCCKPQ-UHFFFAOYSA-N	228.679	3.094	5	40	BGBB	
C[N+](C)(C)[C@H](c1ccccc1)C1(O)CCCCC1	1713497	NBILPLXWGXOXET-OAHLLOKOSA-N	248.390	3.129	5	40	BGBB	
CCc1cccc([N+](=O)[O-])c1N1CCCCC1	1772714851	BHDJLGWVBWYJSZ-UHFFFAOYSA-N	234.299	3.148	5	40	BGBB	
Clc1cc2ccc3ccccc3c2nn1	71976787	INQXDILRAIKVDU-UHFFFAOYSA-N	214.655	3.436	5	40	BGBB	
Cc1noc(/C=C/c2cccc(F)c2)c1[N+](=O)[O-]	16973482	FMYNSSYVWGOXMO-AATRIKPKSA-N	248.213	3.201	5	40	BGBB	
CC(C)CNc1ccc([N+](=O)[O-])cc1Cl	20549598	BZCSTLMXBJOLAV-UHFFFAOYSA-N	228.679	3.316	5	40	BGBB	
Cc1cc2[nH]c(C)c(C)c2cc1[N+](=O)[O-]	32236107	UOTLCGIMBYJWGC-UHFFFAOYSA-N	204.229	3.001	5	40	BGBB	
CC[N+]1(CC)CC2=Cc3ccccc3C[C@H]2C1	3207451	PIQBOVHHCRLDSB-INIZCTEOSA-N	228.359	3.113	5	40	BGBB	
Cc1ccc2c([N+](=O)[O-])ccc(Cl)c2n1	19721581	MQBNMJYPKGKYII-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
Cn1c2ccccc2c2cc([N+](=O)[O-])ccc21	2281183	LUWUTJWWCMXMSA-UHFFFAOYSA-N	226.235	3.240	5	40	BGBB	
O=[N+]([O-])c1ccccc1/C=C\c1ccccn1	4701207	YADNATDOWRSAOC-HJWRWDBZSA-N	226.235	3.160	5	40	BGBB	
O=[N+]([O-])c1cccc(Cl)c1N1CCCCC1	7497995	IBRSUFPYKBRXMU-UHFFFAOYSA-N	240.690	3.239	5	40	BGBB	
CCC(CC)Oc1cccc(F)c1[N+](=O)[O-]	67800669	SCGJAXYIUDKNRX-UHFFFAOYSA-N	227.235	3.301	5	40	BGBB	
Cc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	343849	UZSVWTIBVRMWID-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
O=[N+]([O-])c1ccc(/C=C\c2ccncc2)cc1	5011996	YTSRULMQDDSWNN-UPHRSURJSA-N	226.235	3.160	5	40	BGBB	
Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	1558974	OCEGGGPJZUQJSH-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1Oc1ccc(C=O)o1	72228408	AMMFEVXMEYSIIK-UHFFFAOYSA-N	247.206	3.101	5	40	BGBB	
CC(C)(C)c1nc2cc([N+](=O)[O-])ccc2o1	226247985	FBSIWAMMQXHNNB-UHFFFAOYSA-N	220.228	3.034	5	40	BGBB	
COc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2	1690484	NDCKSMOIMGZEBT-UHFFFAOYSA-N	241.246	3.175	5	40	BGBB	
CC(C)(C)c1nc2ccc([N+](=O)[O-])cc2o1	165175099	RPICUSMTUODABD-UHFFFAOYSA-N	220.228	3.034	5	40	BGBB	
C[C@@]12CCCC[N+]1(C)CCC1=C2CCC1	4595185	DJNDPFGUGUOKJI-MLCCFXAWSA-N	206.353	3.260	5	40	BGBB	
O=[N+]([O-])c1cnc2cc(Cl)ccc2c1Cl	96328248	YVAUZCISBSMGIW-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
CCN(c1ccccc1)c1ccc([N+](=O)[O-])cn1	408547191	UKNMMHOUMMKUJL-UHFFFAOYSA-N	243.266	3.148	5	40	BGBB	
NC(=O)c1ccc2c(ccc3ccccc32)c1	1688636	PTDNMMRRZVLGHU-UHFFFAOYSA-N	221.259	3.092	5	40	BGBB	
CCSc1nc2ccc([N+](=O)[O-])cc2s1	3079584	LIIHMDAWTLFFJF-UHFFFAOYSA-N	240.309	3.317	5	40	BGBB	
CC(C)CCNc1ccc([N+](=O)[O-])s1	48311115	NCYBMIQSGYGKQL-UHFFFAOYSA-N	214.290	3.114	5	40	BGBB	
Cc1ccc2ccc(Cl)c([N+](=O)[O-])c2n1	85391194	JUDPZNLUOSHIRU-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
Cc1cnc2c([N+](=O)[O-])cc(C)c(C)c2c1	13207976	LWIZESZUOGJHBF-UHFFFAOYSA-N	216.240	3.068	5	40	BGBB	
O=[N+]([O-])c1ccc(-c2ccccc2)c([N+](=O)[O-])c1	1648210	DBTRHJMMJLOORC-UHFFFAOYSA-N	244.206	3.170	5	40	BGBB	
CCOc1ccc2cccc([N+](=O)[O-])c2c1	71255505	HIUOEXSQVINKQF-UHFFFAOYSA-N	217.224	3.147	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)c(F)cc1Cl	37593969	MIZFJPOJOZSLDS-UHFFFAOYSA-N	209.991	3.041	5	40	BGBB	
Cc1cc(Cl)c2cc([N+](=O)[O-])ccc2n1	2171927	JLGPAZQKQYSOTR-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	in-vitro
O=[N+]([O-])c1cccc(SC(F)(F)F)c1F	604221693	WDFSXXVMYROWGL-UHFFFAOYSA-N	241.165	3.346	5	40	BGBB	
O=[N+]([O-])c1ccc(F)cc1-c1ccccc1	47207690	XXCHOBGHVYLOIT-UHFFFAOYSA-N	217.199	3.401	5	40	BGBB	
O=[N+]([O-])c1ccc(CNc2ccccc2)cc1	873863	BFPIOTHCNQDBNL-UHFFFAOYSA-N	228.251	3.207	5	40	BGBB	in-vitro
CCc1cc([N+](=O)[O-])cc(C)c1Br	45889809	ZXVSKKBASIKHCJ-UHFFFAOYSA-N	244.088	3.228	5	40	BGBB	
CCCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1	2026449	QOKPIMFRKMMHDE-UHFFFAOYSA-N	233.271	3.204	5	40	BGBB	
O=[N+]([O-])c1ccc(/C=C\c2ccc(O)cc2)cc1	33246164	OETQWIHJPIESQB-UPHRSURJSA-N	241.246	3.471	5	40	BGBB	
C[N+]1(Cc2ccccc2)Cc2ccccc2C1	1241366	BVZWGGWEZKNJLH-UHFFFAOYSA-N	224.327	3.347	5	40	BGBB	
Cc1cc(C)c2c(=O)n3ccccc3cc2c1	3847871	MOHMJLBJAAEGAZ-UHFFFAOYSA-N	223.275	3.070	5	40	BGBB	biogenic
Cc1ccc([N+](=O)[O-])c(OCc2ccccc2)c1	34110169	FZNZPJALPPEJTJ-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
CCCCCNc1ccc([N+](=O)[O-])cc1	21508533	KIOKVHBEBCVZQC-UHFFFAOYSA-N	208.261	3.197	5	40	BGBB	
O=[N+]([O-])c1ccc([C@H]2O[C@@H]2c2ccccc2)cc1	1694075	YUZKNYLREGXARL-ZIAGYGMSSA-N	241.246	3.407	5	40	BGBB	
Cc1c(N)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C	152586	GNEPLYVYORHREW-UHFFFAOYSA-N	248.326	3.444	5	40	BGBB	
C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2)C1	4774023	CXJQWEBVQMSSJC-GHMZBOCLSA-N	234.299	3.077	5	40	BGBB	
O=C(O)c1cc2ccccc2c2cccnc12	22145567	JYDYBSVBTZVOSI-UHFFFAOYSA-N	223.231	3.086	5	40	BGBB	in-vitro
CC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1	3848636	BRTDOUVNXYDWDL-UHFFFAOYSA-N	241.246	3.464	5	40	BGBB	biogenic
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=C/C[N+](C)(C)C	100741723	KEXIPEWIXZNDMJ-HYLRALAJSA-N	220.380	3.241	5	40	BGBB	biogenic
O=[N+]([O-])c1cccc2[nH]c(C(F)(F)F)cc12	82046520	CRGDGLITXHGILQ-UHFFFAOYSA-N	230.145	3.095	5	40	BGBB	
CCc1cccc2c(Cl)c([N+](=O)[O-])cnc12	165863449	PHLAJUSFLJZWFI-UHFFFAOYSA-N	236.658	3.359	5	40	BGBB	
Cc1ccc(Sc2nc(C)[nH]c2[N+](=O)[O-])cc1	196331884	NPKUYPNBXTZIPY-UHFFFAOYSA-N	249.295	3.086	5	40	BGBB	
O=[N+]([O-])c1ccc(N2Cc3ccccc3C2)cc1	9189647	JTZIZUMVGFSITL-UHFFFAOYSA-N	240.262	3.115	5	40	BGBB	
O=[N+]([O-])c1ccc(C[C@H]2CC2(Cl)Cl)cc1	375056	JFLNCNPFYVDSCN-QMMMGPOBSA-N	246.093	3.331	5	40	BGBB	biogenic
CCc1cc([N+](=O)[O-])cc(Cl)c1Cl	226315081	IJLLNLYVCBQUPU-UHFFFAOYSA-N	220.055	3.464	5	40	BGBB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cn2)cc1	92520	BEYXHJRPRSVFMI-UHFFFAOYSA-N	246.291	3.449	5	40	BGBB	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccccn1	35122224	VWOBCIWWXZVAQS-JTQLQIEISA-N	243.266	3.163	5	40	BGBB	
O=[N+]([O-])c1ccsc1Nc1ccccc1	67802494	FBTDQMCSIKYGSH-UHFFFAOYSA-N	220.253	3.400	5	40	BGBB	
O=[N+]([O-])c1ccc2nc3ccccc3cc2c1	5011171	VAPQAGMSICPBKJ-UHFFFAOYSA-N	224.219	3.296	5	40	BGBB	
O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1	37364348	RQBQQGUJDFPLOP-UHFFFAOYSA-N	244.250	3.059	5	40	BGBB	in-vitro
O=[N+]([O-])c1ccc([C@@H]2O[C@H]2c2ccccc2)cc1	1728003	YUZKNYLREGXARL-KBPBESRZSA-N	241.246	3.407	5	40	BGBB	in-vitro
O=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1	1389805	DPYOHVPUDUCYEV-UHFFFAOYSA-N	243.218	3.200	5	40	BGBB	
O=[N+]([O-])c1cc2c(cc1F)-c1ccc(F)cc1C2	1688079	JKNITGKNXVGUOQ-UHFFFAOYSA-N	247.200	3.444	5	40	BGBB	
CC[N+](C)(C)Cc1c(C)cc(C)cc1C	1691047	BPANOAFAWLTFAJ-UHFFFAOYSA-N	206.353	3.208	5	40	BGBB	
CCCCNc1ccc(Cl)cc1[N+](=O)[O-]	19995751	UURLLDYIBDPBBH-UHFFFAOYSA-N	228.679	3.460	5	40	BGBB	
O=[N+]([O-])c1cccc(C=C(Cl)Cl)c1	4592641	RDINJSFIVYVTSZ-UHFFFAOYSA-N	218.039	3.371	5	40	BGBB	
COc1cccc2c1ncc1ccccc12	16228302	CUWQVCCVUIMDJD-UHFFFAOYSA-N	209.248	3.397	5	40	BGBB	
CC[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-]	21033185	MNPBYECEKQNYLZ-ZETCQYMHSA-N	228.679	3.459	5	40	BGBB	
Cn1c2ccccc2c2cccc([N+](=O)[O-])c21	2054118	OPXTXOGCNNCVRV-UHFFFAOYSA-N	226.235	3.240	5	40	BGBB	
O=[N+]([O-])c1cnccc1/C=C/c1ccccc1	13223064	BAQXUBKOJPVCJG-VOTSOKGWSA-N	226.235	3.160	5	40	BGBB	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1cccnc1	35122656	OPCMFTWXZYFRQC-JTQLQIEISA-N	243.266	3.163	5	40	BGBB	
OCc1ccc2c(ccc3ccccc32)c1	21988745	HVPRQCPIJRYXQV-UHFFFAOYSA-N	208.260	3.485	5	40	BGBB	
O=c1c2ccccc2[nH]c2cc(Cl)ccc12	4430415	GGPBSPRVAAFRAJ-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
Clc1ccc2c[n+]3ccccc3cc2c1	1694554	NWDPDNOQVNUWGG-UHFFFAOYSA-N	214.675	3.232	5	40	BGBB	
CCOc1ccc2c(c1)oc(=O)c1ccccc12	297869	JCGYVVPKYOUVMC-UHFFFAOYSA-N	240.258	3.345	5	40	BGBB	biogenic
COC(=O)c1cccc2cc3ccccc3nc12	34624304	GIFITRVWCNEJPG-UHFFFAOYSA-N	237.258	3.175	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1C	45886362	GFAZDIGYHMRXSW-NSHDSACASA-N	234.299	3.282	5	40	BGBB	
C[C@H]1C[C@H](C)CN(c2ccccc2[N+](=O)[O-])C1	57366731	XIZLHMIKZBOXRQ-QWRGUYRKSA-N	234.299	3.077	5	40	BGBB	
O=[N+]([O-])c1ccc(C=C(Cl)Cl)cc1	4753676	GIXZGDQKZIIFRI-UHFFFAOYSA-N	218.039	3.371	5	40	BGBB	
Cn1c2ccccc2c2cc3ccccc3[n+](C)c21	3845601	FXELNBSRNHUCQO-UHFFFAOYSA-N	247.321	3.309	5	40	BGBB	
Cc1c(C)n2c3c(cc([N+](=O)[O-])cc13)CCC2	249616	NCJQZHIMDPIVGX-UHFFFAOYSA-N	230.267	3.113	5	40	BGBB	
O=[N+]([O-])c1sccc1-c1ccccc1	480740	MSNCSAQUJCKFMQ-UHFFFAOYSA-N	205.238	3.323	5	40	BGBB	
CCSc1ccc(Cl)cc1[N+](=O)[O-]	59204677	XJIACQJYKBGDOY-UHFFFAOYSA-N	217.677	3.360	5	40	BGBB	
CC1(C)[C@@H]2CC=C(/C=C/C[N+](C)(C)C)[C@@H]1C2	100741721	KEXIPEWIXZNDMJ-AFJNRPGYSA-N	220.380	3.241	5	40	BGBB	
Cc1cc(N2CCCCC2)c([N+](=O)[O-])cc1C	45957771	DYCXCRHKNDACMV-UHFFFAOYSA-N	234.299	3.202	5	40	BGBB	
O=[N+]([O-])c1ccc(OC2CCCC2)c(F)c1	67800601	LGEXQKXRIAOTBO-UHFFFAOYSA-N	225.219	3.055	5	40	BGBB	
Cc1cc(Oc2ccc(C=O)o2)ccc1[N+](=O)[O-]	72228410	VQYZYOWXAHXKIG-UHFFFAOYSA-N	247.206	3.101	5	40	BGBB	
O=[N+]([O-])c1cccc2oc(-c3ccccc3)nc12	225853466	KFFRQPYOSDBYBB-UHFFFAOYSA-N	240.218	3.403	5	40	BGBB	
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2N)cc1	3845366	YBHGFNALXQJNRK-UHFFFAOYSA-N	243.266	3.229	5	40	BGBB	biogenic
O=[N+]([O-])c1cccc(C(Cl)(Cl)Cl)c1	159719	UGOQNHNJYMIBTI-UHFFFAOYSA-N	240.473	3.422	5	40	BGBB	
COc1ccc(C)c2nc3ccccc3nc12	5125119	WWHVVBDADXZWPW-UHFFFAOYSA-N	224.263	3.100	5	40	BGBB	
Cc1cc(C(C)(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	68675216	NESMIGSDQPNPEV-UHFFFAOYSA-N	238.243	3.109	5	40	BGBB	
COc1cccc2sc3ccccc3c(=O)c12	5124926	GDVXCEXUGSELGD-UHFFFAOYSA-N	242.299	3.423	5	40	BGBB	
O=c1[nH]c2ccccc2c2ccc(Cl)cc12	8649791	AWRYMEFFWINYLP-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
CC/C(=C\c1ccc(Cl)cc1)[N+](=O)[O-]	5384822	RKBUYMHZOVVQJR-JXMROGBWSA-N	211.648	3.368	5	40	BGBB	
Cc1cccc(Oc2ncccc2[N+](=O)[O-])c1C	132686	RNOWNESUZZSGDB-UHFFFAOYSA-N	244.250	3.399	5	40	BGBB	
Nc1cccc(/C=C\c2cccc([N+](=O)[O-])c2)c1	17040047	FFBUZZYRZRFBFQ-FPLPWBNLSA-N	240.262	3.347	5	40	BGBB	
O=[N+]([O-])c1ccc(Cl)c(OC(F)(F)F)c1	95215649	WVRGIODBGXCYRU-UHFFFAOYSA-N	241.552	3.147	5	40	BGBB	in-vitro
O=c1c2ccccc2oc2cc(F)ccc12	95891411	MSFHIUILMUEXBD-UHFFFAOYSA-N	214.195	3.085	5	40	BGBB	
NNc1cc2ccccc2c2ccccc12	96125931	SEGLYKRUFIRSMS-UHFFFAOYSA-N	208.264	3.279	5	40	BGBB	
O=[N+]([O-])c1cccc([C@H](F)C(F)(F)F)c1	107262072	AJYXKKGPBOPKNL-ZETCQYMHSA-N	223.125	3.168	5	40	BGBB	
C[C@H]1CCCc2cc([N+](=O)[O-])c(Cl)nc21	217546159	BCMZCCDOYRUQST-LURJTMIESA-N	226.663	3.083	5	40	BGBB	
CCOc1cccc2nc3ccccc3nc12	14651267	ZNELEQPCAHGCJH-UHFFFAOYSA-N	224.263	3.182	5	40	BGBB	biogenic
Cc1c([N+](=O)[O-])ccc(Cl)c1Cl	113466024	ZIZYIDMRRKTXEE-UHFFFAOYSA-N	206.028	3.210	5	40	BGBB	
O=[N+]([O-])c1ccc(C(F)(F)F)c2cccnc12	205626085	GCORMZQIMMLJOL-UHFFFAOYSA-N	242.156	3.162	5	40	BGBB	
O=c1[nH]c2ccc(Cl)cc2c2ccccc12	17020996	JMEJAQODRZEIDX-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
O=[N+]([O-])c1cccc(C2SCCS2)c1	2015295	CUTHPEQFELNRMC-UHFFFAOYSA-N	227.310	3.073	5	40	BGBB	
Cc1nc2ccc(F)cc2c2ncccc12	7277793	TZXVJMIKFJWKDE-UHFFFAOYSA-N	212.227	3.231	5	40	BGBB	
C[C@@H]1C[C@@H](C)CN(c2ccccc2[N+](=O)[O-])C1	57366732	XIZLHMIKZBOXRQ-GHMZBOCLSA-N	234.299	3.077	5	40	BGBB	
O=c1[nH]c2ccccc2c2cccc(Cl)c12	8627958	QZXMNNVKNFSLKO-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
O=[N+]([O-])c1ccc(-c2ccnc(Cl)c2)cc1	84530287	XSJAJEWTQYTTPI-UHFFFAOYSA-N	234.642	3.310	5	40	BGBB	
Nc1cccc(/C=C\c2ccc([N+](=O)[O-])cc2)c1	4773457	GQSCACVFRHCRBH-PLNGDYQASA-N	240.262	3.347	5	40	BGBB	
CC1(C)[C@@H]2CC=C(/C=C/C[N+](C)(C)C)[C@H]1C2	2105828	KEXIPEWIXZNDMJ-JLVOYYQZSA-N	220.380	3.241	5	40	BGBB	
C[C@]12CCCC[N+]1(C)CCC1=C2CCC1	3066445	DJNDPFGUGUOKJI-GICMACPYSA-N	206.353	3.260	5	40	BGBB	
O=[N+]([O-])c1sccc1-c1ccsc1	480683	GHDFKBUTMGVFKL-UHFFFAOYSA-N	211.267	3.385	5	40	BGBB	
O=[N+]([O-])c1ccccc1-c1cccs1	8037162	ZURZUPKWSBYZKB-UHFFFAOYSA-N	205.238	3.323	5	40	BGBB	
O=[N+]([O-])c1cccc(-c2ccsc2)c1	44676146	QXYUBMJPUHIKTG-UHFFFAOYSA-N	205.238	3.323	5	40	BGBB	
Cc1noc(/C=C\c2cccc(F)c2)c1[N+](=O)[O-]	16249582	FMYNSSYVWGOXMO-WAYWQWQTSA-N	248.213	3.201	5	40	BGBB	
CC(C)(C)n1nccc1-c1ccc([N+](=O)[O-])cc1	71256278	CWSWRKZIOKUWSC-UHFFFAOYSA-N	245.282	3.213	5	40	BGBB	
Cc1cn(-c2ccc([N+](=O)[O-])cc2)cc1C	297752	DYIRDMREVBPJLG-UHFFFAOYSA-N	216.240	3.002	5	40	BGBB	
c1ccc2c(c1)cnc1c3ccccc3nn21	1566029	YPXRRQGHFPSYRS-UHFFFAOYSA-N	219.247	3.036	5	40	BGBB	
Cc1c([N+](=O)[O-])cnc2cc(Cl)ccc12	256051323	IRIWGEJZELFMTK-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
O=[N+]([O-])c1cccc(NCc2cccs2)c1	251193	GFUMECRXYFBYHF-UHFFFAOYSA-N	234.280	3.268	5	40	BGBB	
CC(=O)Nc1c(C)cc([N+](=O)[O-])c2ccccc12	4748040	CHVQNZWUGKWRHP-UHFFFAOYSA-N	244.250	3.015	5	40	BGBB	
COc1ccc(Nc2ccccc2[N+](=O)[O-])cc1	4710641	JLIRPISIPQMEDU-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCCC1	45886328	OWWQWXIHAOPVBU-UHFFFAOYSA-N	240.690	3.157	5	40	BGBB	
O=[N+]([O-])c1c(Cl)nc2c(c1Cl)CCCC2	141063157	IHPCVVSDFZVBPF-UHFFFAOYSA-N	247.081	3.175	5	40	BGBB	
Cc1nc2cc(Cl)c([N+](=O)[O-])cc2s1	226162	HCIFTTCECGSAPA-UHFFFAOYSA-N	228.660	3.166	5	40	BGBB	
Cn1c2nc3ccccc3c-2nc2ccccc21	241054	BGEAGKAYRCGUJL-UHFFFAOYSA-N	233.274	3.226	5	40	BGBB	
Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1	3887436	WGSQXGNIVCKFHX-UHFFFAOYSA-N	247.229	3.060	5	40	BGBB	
CC(C)(C)c1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1	42415202	LEOXZHWMRRDMQK-UHFFFAOYSA-N	245.282	3.282	5	40	BGBB	
O=[N+]([O-])c1c(F)cccc1SC(F)(F)F	604221540	ITDBWJZDNWGLOJ-UHFFFAOYSA-N	241.165	3.346	5	40	BGBB	
O=C(Oc1ccccc1[N+](=O)[O-])C1CCCCC1	70841	JHTMKRHSWHPMNK-UHFFFAOYSA-N	249.266	3.081	5	40	BGBB	
Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1	32937537	BMJCMCZSVYVDCN-UHFFFAOYSA-N	220.253	3.027	5	40	BGBB	in-vitro
COc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1	7276277	AOLOGBAMGFGMHD-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
O=[N+]([O-])c1ccccc1C=Cc1ccccn1	2049239220	YADNATDOWRSAOC-UHFFFAOYSA-N	226.235	3.160	5	40	BGBB	
C[N+](C)(C)CCOc1cc(Cl)cc(Cl)c1	4110286	CNHCFDDYRQMFQV-UHFFFAOYSA-N	249.161	3.078	5	40	BGBB	
Oc1cccc2cc3cccc(O)c3c(O)c12	100014431	YUTJCNNFTOIOGT-UHFFFAOYSA-N	226.231	3.110	5	40	BGBB	in-vitro
Cc1onc(/C=C/c2cccc(F)c2)c1[N+](=O)[O-]	22142125	CVBPWSVMBLOHQP-AATRIKPKSA-N	248.213	3.201	5	40	BGBB	
CCOc1cccc2nc3c(C)cccc3nc12	37637248	VQYVZANAGPTCHS-UHFFFAOYSA-N	238.290	3.490	5	40	BGBB	
C[N+](C)(Cc1ccco1)c1ccccc1	1596273	UMSMEMZJGXGIBJ-UHFFFAOYSA-N	202.277	3.047	5	40	BGBB	
Cc1c(NC(=O)C2CCCC2)cccc1[N+](=O)[O-]	8267656	VOCOVJFVWSQEQR-UHFFFAOYSA-N	248.282	3.032	5	40	BGBB	
C[C@@H]1CCCc2cc([N+](=O)[O-])c(Cl)nc21	217546076	BCMZCCDOYRUQST-ZCFIWIBFSA-N	226.663	3.083	5	40	BGBB	
CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl	36559051	JDESJJDAFRFHGJ-UHFFFAOYSA-N	235.070	3.333	5	40	BGBB	
Cc1ccc(C)c(Oc2ncccc2[N+](=O)[O-])c1	7185907	ICXUNOOWQVIWQL-UHFFFAOYSA-N	244.250	3.399	5	40	BGBB	
CC1=CC(C)(C)[N+](C)(C)c2ccccc21	1082437	WNCZKXMAYPERCD-UHFFFAOYSA-N	202.321	3.449	5	40	BGBB	
Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)o1	23296264	IGZQSBNHUJSHKE-VIFPVBQESA-N	247.254	3.064	5	40	BGBB	
O=[N+]([O-])c1c2c(cc3c1C1(CC3)CC1)CCC2	2113474284	AFYCRVDKURCAKL-UHFFFAOYSA-N	229.279	3.061	5	40	BGBB	
C[C@H]1C[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2)C1	57476676	NZRQUCHMNUSTQX-RYUDHWBXSA-N	248.326	3.073	5	40	BGBB	
Cc1nn(C2CCCCC2)c(Cl)c1[N+](=O)[O-]	85019278	UTALWUOTFLRZTL-UHFFFAOYSA-N	243.694	3.258	5	40	BGBB	
O=[N+]([O-])c1cccc2c(C(F)F)c[nH]c12	575628815	AIYMMBLYTYASPR-UHFFFAOYSA-N	212.155	3.014	5	40	BGBB	
Cc1cc(C)n(-c2cc(C)c(C)cc2[N+](=O)[O-])n1	70461246	URQRZCXARRKJPB-UHFFFAOYSA-N	245.282	3.014	5	40	BGBB	
O=c1[nH]c2cccc(Cl)c2c2ccccc12	8627957	CAZOCLLPQMRDSV-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
N=C(N)c1c2ccccc2cc2ccccc12	1420625	CXPYCLASXKDNBB-UHFFFAOYSA-N	220.275	3.277	5	40	BGBB	
COc1ccccc1Nc1ccc([N+](=O)[O-])cc1	7276578	YXWSOPXCBPXQAY-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
Cc1ccc(-c2cscn2)cc1[N+](=O)[O-]	108238175	XUGZTQPIPRPVOS-UHFFFAOYSA-N	220.253	3.027	5	40	BGBB	
C[N+]([O-])(Cc1ccccc1)c1ccccc1	1708229	WHLSOVHVOUNRFG-UHFFFAOYSA-N	213.280	3.322	5	40	BGBB	
CCN(CC)c1c(Cl)cccc1[N+](=O)[O-]	22124652	DXSUBGFPNISEBV-UHFFFAOYSA-N	228.679	3.094	5	40	BGBB	
O=[N+]([O-])c1cc(F)c(Cl)cc1-n1cccc1	152700	ZPIDZWRNBZXXAL-UHFFFAOYSA-N	240.621	3.178	5	40	BGBB	
CCCCC(=O)c1ccc(C)c([N+](=O)[O-])c1	21992997	JEPJRQSLPPDLKK-UHFFFAOYSA-N	221.256	3.276	5	40	BGBB	
Cc1cccc(C(=O)c2ccc([N+](=O)[O-])cc2)c1	2566462	WVPBWWIRYOFSSG-UHFFFAOYSA-N	241.246	3.134	5	40	BGBB	
O=[N+]([O-])c1cc(Oc2ccccc2)ccc1O	34457560	PVFPTCXTEHFQGM-UHFFFAOYSA-N	231.207	3.093	5	40	BGBB	
O=[N+]([O-])c1ccc(/C=C/C(F)(F)F)cc1	34569376	WGVJEEXBVPTTFU-AATRIKPKSA-N	217.146	3.170	5	40	BGBB	
CCC(CC)Oc1ccc(F)cc1[N+](=O)[O-]	67800521	VTFZQPSLPLOWDG-UHFFFAOYSA-N	227.235	3.301	5	40	BGBB	
C[N+](C)(C)[C@H]1C=C(Cl)CCC=C(Cl)C1	1710389	KTRRGTPPOPVILQ-LLVKDONJSA-N	235.178	3.491	5	40	BGBB	
CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])s1	39271866	PWIFSCYFQPTAOW-UHFFFAOYSA-N	244.272	3.003	5	40	BGBB	
CC[N+](CC)(CC)CCC[N+](CC)(CC)CC	1683757	SERGJFNYUXIJMP-UHFFFAOYSA-N	244.467	3.130	5	40	BGBB	
CCc1cc([N+](=O)[O-])ccc1N(CC)CC	80479924	GMIRREVKDHJFQR-UHFFFAOYSA-N	222.288	3.003	5	40	BGBB	
CC(=O)c1ccc2c3c(ccc([N+](=O)[O-])c13)CC2	4031814	NILUBKLGLNBQQU-UHFFFAOYSA-N	241.246	3.049	5	40	BGBB	
COC(=O)c1c2ccccc2nc2ccccc12	22062497	PGWHWYBRRVQFCI-UHFFFAOYSA-N	237.258	3.175	5	40	BGBB	in-vitro
CC(C)(C)c1ccc(/C=C/[N+](=O)[O-])cc1	103590	IJWOILQYJXJHTF-CMDGGOBGSA-N	205.257	3.232	5	40	BGBB	in-vitro
Cc1ccc2oc3ccccc3c(=O)c2c1	4127694	UWHSVIYYROIHDN-UHFFFAOYSA-N	210.232	3.255	5	40	BGBB	biogenic
Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1	216766605	LLSSAIAOTKRDKT-RYUDHWBXSA-N	248.326	3.386	5	40	BGBB	
Cc1ccccc1COc1ccccc1[N+](=O)[O-]	255930940	ORLZQBWNSCZNLE-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
O=Cc1ccc2ccc3ccccc3c2n1	1526644	OBDYPKKCCHZQDQ-UHFFFAOYSA-N	207.232	3.201	5	40	BGBB	
Cc1cc(-c2ccccc2N)ccc1[N+](=O)[O-]	90600800	KYFIROOYVYYUAL-UHFFFAOYSA-N	228.251	3.152	5	40	BGBB	
O=[N+]([O-])c1cccc2cc(Cl)ccc12	32237063	ALQUEFFIWUNSDY-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccncc1	35122257	OHGKFFMVDATVRI-JTQLQIEISA-N	243.266	3.163	5	40	BGBB	
c1ccc2c(c1)sc1nc3ccncc3nc12	13284396	QALMQHGQWSKVIN-UHFFFAOYSA-N	237.287	3.393	5	40	BGBB	
CCCCCC[C@H](C)n1cc([N+](=O)[O-])cn1	71978653	VUVAOCFXXMTLFY-JTQLQIEISA-N	225.292	3.323	5	40	BGBB	
CCCCNc1cc(C)ccc1[N+](=O)[O-]	87150676	YWGUPTCBFUKRHX-UHFFFAOYSA-N	208.261	3.115	5	40	BGBB	
CC[N+](CC)(CC)CC(Cl)(Cl)Cl	1083813764	AMIFHGQKHHCHNJ-UHFFFAOYSA-N	233.590	3.233	5	40	BGBB	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccccn1	35122225	VWOBCIWWXZVAQS-SNVBAGLBSA-N	243.266	3.163	5	40	BGBB	
O=[N+]([O-])c1ccc(OC2CCCCC2)cc1	40176419	JZCYGTUBVIJZOJ-UHFFFAOYSA-N	221.256	3.306	5	40	BGBB	
c1cc2ccc3ncnc4ccc(c1)c2c34	18195798	KOISEUFUASSLKT-UHFFFAOYSA-N	204.232	3.374	5	40	BGBB	
CCCC[N+]1(C)C[C@H]2CC(Cl)=CC[C@H]2C1	4871814	LEPNHGPYAZHNQP-VPUIJTBTSA-N	228.787	3.396	5	40	BGBB	
CCCCCC[C@H](C)n1ccc([N+](=O)[O-])n1	67800376	JXVXATOJMHBAAM-JTQLQIEISA-N	225.292	3.323	5	40	BGBB	
Nc1c(Cl)cc(Cl)c([N+](=O)[O-])c1Cl	1569102	NQWQPAOXALWZNO-UHFFFAOYSA-N	241.461	3.137	5	40	BGBB	
Cc1cc([N+](C)(C)C)c(C(C)C)cc1O	1600808	UBBRSZUPCWQBSP-UHFFFAOYSA-O	208.325	3.021	5	40	BGBB	
Cc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1	33311217	PRCTVSQZQADBCX-FPLPWBNLSA-N	244.250	3.370	5	40	BGBB	
CCCCCC[C@@H](C)n1cc([N+](=O)[O-])cn1	71978652	VUVAOCFXXMTLFY-SNVBAGLBSA-N	225.292	3.323	5	40	BGBB	
CC[N+](C)(C)Cc1ccc(Br)cc1	1690607	VCJPZOSUWYKLEP-UHFFFAOYSA-N	243.168	3.045	5	40	BGBB	in-man
Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cn2)c1	14206216	HHBYSMUSZYTJCB-UHFFFAOYSA-N	243.266	3.350	5	40	BGBB	
Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	13998381	WUUXYZTVYJIQIL-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
O=[N+]([O-])c1ccc2c(Cl)cccc2c1	71256691	ZROFLSNLBFQHLM-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
O=[N+]([O-])c1ccc(SC(F)F)cc1F	604221710	YTGRSLDUOBIVDH-UHFFFAOYSA-N	223.175	3.049	5	40	BGBB	
Cc1ccc(Oc2cc(N)cc([N+](=O)[O-])c2)cc1	2558371	KJBYENUMKKEWJZ-UHFFFAOYSA-N	244.250	3.278	5	40	BGBB	
CCCC[N+]1(C)C[C@H]2CC=C(Cl)C[C@@H]2C1	4871815	LEPNHGPYAZHNQP-IQQIRFCMSA-N	228.787	3.396	5	40	BGBB	
Cc1cc(Cl)nc(-c2ccc([N+](=O)[O-])cc2)n1	36379566	DJFUKKYCJQOIFC-UHFFFAOYSA-N	249.657	3.014	5	40	BGBB	in-vitro
Clc1ccc2ccc3cccc[n+]3c2c1	1609549	ULTGSSKYXWDEPJ-UHFFFAOYSA-N	214.675	3.232	5	40	BGBB	
O=[N+]([O-])c1ccc(N2CCc3ccccc32)cc1	12370135	MGFAOBIKDRICQH-UHFFFAOYSA-N	240.262	3.289	5	40	BGBB	
Cc1ccc(Oc2ccccc2[N+](=O)[O-])cn1	49099854	LQKWEJCLFUSJRI-UHFFFAOYSA-N	230.223	3.091	5	40	BGBB	
Cc1cc(C)[n+](C)c2cc3ccccc3cc12	1578652	AFZUOWSHLWHFNR-UHFFFAOYSA-N	222.311	3.434	5	40	BGBB	
CCCCCCNCc1ccc([N+](=O)[O-])cc1	7261043	UUIVJSVFZNRYDN-UHFFFAOYSA-N	236.315	3.265	5	40	BGBB	
NNc1cccc2cc3ccccc3cc12	90613201	DTSQOQPBSLQNAV-UHFFFAOYSA-N	208.264	3.279	5	40	BGBB	
CC(C)n1ccc2cc([N+](=O)[O-])ccc21	149884417	SZFIPUYXMKNLCR-UHFFFAOYSA-N	204.229	3.130	5	40	BGBB	
Cc1noc(/C=C\c2ccc(F)cc2)c1[N+](=O)[O-]	36092140	MVRNSBIOCKYHLA-DAXSKMNVSA-N	248.213	3.201	5	40	BGBB	
CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])cc1	20298726	ZRWLHKJBHBNKSL-VIFPVBQESA-N	208.261	3.051	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1Oc1ccc(O)cc1	37674466	WRPIGPKWGOPDAR-UHFFFAOYSA-N	245.234	3.401	5	40	BGBB	
O=[N+]([O-])/C(=C/c1ccccc1)c1ccccc1	164479	QIFBVYLHLLTNLI-SDNWHVSQSA-N	225.247	3.461	5	40	BGBB	
Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1	577280	HYZQEOIWEHKWRG-UHFFFAOYSA-N	234.280	3.335	5	40	BGBB	
O=[N+]([O-])c1ccccc1OCCc1cccs1	36617326	RJQIVZSPGNPFNI-UHFFFAOYSA-N	249.291	3.278	5	40	BGBB	
N=C(N)c1cc2ccccc2c2ccccc12	1442799	CSRIDCBXOMSKSR-UHFFFAOYSA-N	220.275	3.277	5	40	BGBB	
CN(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	1556467	DVCSMFBQEXZMES-UHFFFAOYSA-N	242.278	3.231	5	40	BGBB	
O=[N+]([O-])c1cccc([C@@H]2ON2C2CCCCC2)c1	1705852	IOXPEEMDMAXKEF-LSLKUGRBSA-N	248.282	3.173	5	40	BGBB	
C[N+]1(C)CC=C(c2c[nH]c3ccccc23)CC1	45796118	YSOMHERCULYDLT-UHFFFAOYSA-N	227.331	3.031	5	40	BGBB	
O=[N+]([O-])c1cccc2c1[nH]c1ccccc12	2022154	VYOKOQDVBBWPKO-UHFFFAOYSA-N	212.208	3.229	5	40	BGBB	
Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)o1	807828	JSCVVMSVSAVEJN-UHFFFAOYSA-N	243.222	3.040	5	40	BGBB	
O=[N+]([O-])c1cccc([C@@H]2C[C@H]2C(F)(F)F)c1	95628900	DHBWUJBSDNVHTQ-DTWKUNHWSA-N	231.173	3.261	5	40	BGBB	
O=[N+]([O-])c1ccc(N2CCCC2)c2ccccc12	4126409	FLUWUUPEIABQQO-UHFFFAOYSA-N	242.278	3.348	5	40	BGBB	
O=[N+]([O-])c1cc2ccsc2cc1Cl	1857794501	PMFVBXQVHXKMAU-UHFFFAOYSA-N	213.645	3.463	5	40	BGBB	
COc1cccc(Nc2ccccc2[N+](=O)[O-])c1	34467445	WFNISLNVVVWFLH-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)c2ccncc2c1Cl	52507775	NEWSYZKPVVHRRA-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
COc1cccc2nc3cccc(Cl)c3nc12	76495128	AZJDDAPKWRVAFO-UHFFFAOYSA-N	244.681	3.445	5	40	BGBB	
O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)o1	148979776	BNNVFSBJALUBAL-UHFFFAOYSA-N	246.247	3.465	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@@H](C)C1	216767188	OIRYPGJAQWXTFS-PHIMTYICSA-N	248.326	3.386	5	40	BGBB	
CC[N+]1(CCc2ccccc2)CCCCC1	1668281	INUBSFGMAZBBAS-UHFFFAOYSA-N	218.364	3.250	5	40	BGBB	
Cc1c(C(F)(F)F)ccc(F)c1[N+](=O)[O-]	396125465	IOLOADBJLBCMMF-UHFFFAOYSA-N	223.125	3.061	5	40	BGBB	
Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1C	7185910	XXZGPNAIJGBHFE-UHFFFAOYSA-N	244.250	3.399	5	40	BGBB	
CC(=O)c1ccc(NC(C)(C)C)c([N+](=O)[O-])c1	67949501	VBPULQNSAYQZNH-UHFFFAOYSA-N	236.271	3.008	5	40	BGBB	
O=c1[nH]c2ccccc2c2cc(Cl)ccc12	8627959	SFDJLAGUWWGDNF-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
O=Cc1nc2ccccc2c2ccccc12	1555832	LQKLIIZGUIIKLD-UHFFFAOYSA-N	207.232	3.201	5	40	BGBB	
COc1cccc2nc3cccc(C)c3nc12	32233426	BZIGIHKYMLBWKM-UHFFFAOYSA-N	224.263	3.100	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1Cc1ccccc1	5553451	RORNXXZQQIDZRB-UHFFFAOYSA-N	227.263	3.494	5	40	BGBB	
CC[N+]1(CC)CC2=Cc3ccccc3C[C@@H]2C1	3207450	PIQBOVHHCRLDSB-MRXNPFEDSA-N	228.359	3.113	5	40	BGBB	
O=c1oc2ccccc2c2nc3ccccc3cc12	382983	BYLOQNYQAMIHJQ-UHFFFAOYSA-N	247.253	3.494	5	40	BGBB	
CCCCCC[C@@H](C)n1ccc([N+](=O)[O-])n1	67800374	JXVXATOJMHBAAM-SNVBAGLBSA-N	225.292	3.323	5	40	BGBB	
CCCC[C@H](CC)Cn1ccc([N+](=O)[O-])n1	71978420	VNEMCWKPMYCDPV-JTQLQIEISA-N	225.292	3.008	5	40	BGBB	
O=[N+]([O-])c1cc2cc[nH]c2cc1C(F)(F)F	40566676	RPVSQSQWFUXBNX-UHFFFAOYSA-N	230.145	3.095	5	40	BGBB	
Nc1cc2oc3ccccc3c2cc1[N+](=O)[O-]	4016572	SUIWWTVSHIXPLI-UHFFFAOYSA-N	228.207	3.076	5	40	BGBB	
CCN(CC)c1c(C)cc([N+](=O)[O-])cc1Cl	45958912	ONPCSKQRASMSAJ-UHFFFAOYSA-N	242.706	3.403	5	40	BGBB	
CCc1cc([N+](=O)[O-])ccc1N1CCC[C@H](C)C1	226315575	NWZMCVGTRJDULN-NSHDSACASA-N	248.326	3.394	5	40	BGBB	
CC(C)(C)COc1ccc([N+](=O)[O-])cc1	34258363	ZAOUOBFZAWXHFB-UHFFFAOYSA-N	209.245	3.020	5	40	BGBB	
O=c1nc2oc3ccccc3cc-2c2ccccc12	4727524	JLKGOYDXVVKMFS-UHFFFAOYSA-N	247.253	3.446	5	40	BGBB	
CC(C)(C)n1ccc(-c2ccc([N+](=O)[O-])cc2)n1	71256280	ZZJWRGJVRULGBO-UHFFFAOYSA-N	245.282	3.213	5	40	BGBB	
C[N+](C)(C)[C@H]1C=C(Cl)CC/C=C(\Cl)C1	104101231	KTRRGTPPOPVILQ-OORLVUMFSA-N	235.178	3.491	5	40	BGBB	
CC(C)CCNc1ccccc1[N+](=O)[O-]	21516369	GGNSUYDFIMBOED-UHFFFAOYSA-N	208.261	3.053	5	40	BGBB	
C=Cc1cccc(Br)c1[N+](=O)[O-]	118815973	NYSLQBGONVOKTG-UHFFFAOYSA-N	228.045	3.000	5	40	BGBB	
Cc1cccc2cc3cccc(C)[n+]3cc12	1713772	QMQYZNWEGDUSIC-UHFFFAOYSA-N	208.284	3.195	5	40	BGBB	
O=[N+]([O-])c1ccc(Nc2ccc(F)cc2)cc1	3899984	WZAJDEVHFCARMK-UHFFFAOYSA-N	232.214	3.478	5	40	BGBB	
Cc1cc(=O)c(C)c2sc3ccccc3nc1-2	5119270	ABHVMSPUDRDASM-UHFFFAOYSA-N	241.315	3.378	5	40	BGBB	
Nc1ccc(C=Cc2ccccc2)c([N+](=O)[O-])c1	2049238497	LKEBMAHZARCAPS-UHFFFAOYSA-N	240.262	3.347	5	40	BGBB	
O=Cc1ccc(-c2ccccc2)c([N+](=O)[O-])c1	21950530	NEMDYPVVDJEUSK-UHFFFAOYSA-N	227.219	3.074	5	40	BGBB	
O=[N+]([O-])c1c(O)c(Cl)cc(Cl)c1Cl	1661152	XWLBYVXDCGYXGY-UHFFFAOYSA-N	242.445	3.261	5	40	BGBB	
CC1(Nc2ccc([N+](=O)[O-])cc2F)CCCC1	42187767	HAKZJFUMOMKKRI-UHFFFAOYSA-N	238.262	3.479	5	40	BGBB	
CCCCCC(=O)Nc1ccccc1[N+](=O)[O-]	4154753	RLKAJJMNWDDHHM-UHFFFAOYSA-N	236.271	3.114	5	40	BGBB	
Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2c1	95221106	FQWCHXWBGPCGOD-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
Cc1ccc2cc3c(cc2c1)C[N+](C)(C)C3	1254691	FCHDKEQQTMPENK-UHFFFAOYSA-N	212.316	3.238	5	40	BGBB	
CC(C)COc1ccc([N+](=O)[O-])c2cccnc12	225394332	IPJNEVTVOHLUJI-UHFFFAOYSA-N	246.266	3.178	5	40	BGBB	
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)cc1	8419013	VFFBUUIATYUJSZ-UHFFFAOYSA-N	230.223	3.044	5	40	BGBB	
O=[N+]([O-])[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1c1ccccc1Cl	104282188	GNXJLTPKYBBZTK-NGERZBJRSA-N	249.697	3.275	5	40	BGBB	
NC(=O)c1ccc2ccc3ccccc3c2c1	1666558	VJLPGQYJETUIQE-UHFFFAOYSA-N	221.259	3.092	5	40	BGBB	
CCc1cc2c(cc1O)oc(=O)c1ccccc12	121045	LPSOMCWYWZGPLN-UHFFFAOYSA-N	240.258	3.214	5	40	BGBB	
O=[N+]([O-])c1ccsc1NCc1ccccc1	4351692	WGIWMLUJLWMJOL-UHFFFAOYSA-N	234.280	3.268	5	40	BGBB	
O=[N+]([O-])c1ccc(Cl)c(N2CCCCC2)c1	36168	WUDVVCDPFFCSMP-UHFFFAOYSA-N	240.690	3.239	5	40	BGBB	
C[N+](C)(C)Cc1cccc2ccccc12	1662351	KQFUYXBSZHBEQM-UHFFFAOYSA-N	200.305	3.046	5	40	BGBB	
Cc1ccc2cc3ccc(C)nc3cc2n1	2573145	VYTYNSFRIMMHAC-UHFFFAOYSA-N	208.264	3.400	5	40	BGBB	biogenic
CCn1c2ccccc2c(=O)c2ccccc21	4824927	XLUFPCKIXLAEED-UHFFFAOYSA-N	223.275	3.175	5	40	BGBB	biogenic
CN(c1ccc([N+](=O)[O-])cn1)C1CCCCCC1	32779260	NFFVWONTXZBVOO-UHFFFAOYSA-N	249.314	3.149	5	40	BGBB	
Nc1cc([N+](=O)[O-])ccc1/C=C/c1ccccc1	3844621	GCHLVUFVBVRBJY-VOTSOKGWSA-N	240.262	3.347	5	40	BGBB	
CC(C)(C)c1cc2ccc([N+](=O)[O-])cc2[nH]1	88259888	COQNCAZGNLRPHM-UHFFFAOYSA-N	218.256	3.374	5	40	BGBB	
Nc1cc(Cl)c(Cl)c([N+](=O)[O-])c1Cl	70461121	KGTMMKXQTXRXAX-UHFFFAOYSA-N	241.461	3.137	5	40	BGBB	
Cc1nc(O)cc2ccc3ccccc3c12	5687143	YSRUXOGDIZWLBU-UHFFFAOYSA-N	209.248	3.402	5	40	BGBB	
C/C(Cl)=C\C[N+]1(C)Cc2ccccc2C1	26806098	RFZFVSNRXCXUBG-YRNVUSSQSA-N	222.739	3.289	5	40	BGBB	
O=C(O)c1ccnc2ccc3ccccc3c12	1628234	CYCSFILBMUSSRK-UHFFFAOYSA-N	223.231	3.086	5	40	BGBB	
CC1(C)[C@H]2CC=C(/C=C/C[N+](C)(C)C)[C@@H]1C2	12655330	KEXIPEWIXZNDMJ-AGKLADILSA-N	220.380	3.241	5	40	BGBB	
Cc1nc2ccccc2c2ccc(N)cc12	60260522	JPDWLFCIJGRTFA-UHFFFAOYSA-N	208.264	3.279	5	40	BGBB	
O=C(O)c1cccc2cc3ccccc3nc12	38293725	NBIUCDPMOWCGIG-UHFFFAOYSA-N	223.231	3.086	5	40	BGBB	
CCC(CC)Oc1ccc([N+](=O)[O-])cc1	67800527	ZDBIVWYVBVQFLT-UHFFFAOYSA-N	209.245	3.162	5	40	BGBB	
Cc1cccc(COc2ccccc2[N+](=O)[O-])c1	255930475	AAXAVUWBYIKAGI-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
C[C@H]1C[C@@H](C)CN(c2ccccc2[N+](=O)[O-])C1	57366729	XIZLHMIKZBOXRQ-PHIMTYICSA-N	234.299	3.077	5	40	BGBB	
O=[N+]([O-])c1ccc2c(c1)CCc1ccccc1-2	133349	IMIZVPSPWHGFCM-UHFFFAOYSA-N	225.247	3.360	5	40	BGBB	
O=c1[nH]c2cc(Cl)ccc2c2ccccc12	17020548	FUNSBTYHCSRJDJ-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
C[n+]1c2ccccc2cc2[nH]c3ccccc3c21	1583636	KURWKDDWCJELSV-UHFFFAOYSA-O	233.294	3.299	5	40	BGBB	
O=C1Nc2ccc3cc4ccccc4cc3c2C1=O	3844872	BPCBNZRHEBHNHF-UHFFFAOYSA-N	247.253	3.128	5	40	BGBB	biogenic
CC[n+]1c2ccccc2cc2ccccc21	7159395	VOUZYHUSMCJPJG-UHFFFAOYSA-N	208.284	3.300	5	40	BGBB	
CC(=O)c1ccc2oc3ccccc3c(=O)c2c1	15974657	AFIDDEUBFNDBGR-UHFFFAOYSA-N	238.242	3.149	5	40	BGBB	
CCCCNc1ccc(C)cc1[N+](=O)[O-]	36964525	ZDKXWRFUBCEGIT-UHFFFAOYSA-N	208.261	3.115	5	40	BGBB	
CCc1cc([N+](=O)[O-])ccc1-c1ccc(C=O)o1	226314809	ORSCCNCIZJLFRA-UHFFFAOYSA-N	245.234	3.230	5	40	BGBB	
O=[N+]([O-])c1ccc2oc(=S)ccc2c1	539759	RKQZRJGJFYKQSX-UHFFFAOYSA-N	207.210	3.070	5	40	BGBB	
CCCCNc1ccc([N+](=O)[O-])cc1Cl	21799925	NQJQTHRUFIWZCQ-UHFFFAOYSA-N	228.679	3.460	5	40	BGBB	
CCCNc1c(Cl)cccc1[N+](=O)[O-]	50351805	VYQKOVNOIVAEPD-UHFFFAOYSA-N	214.652	3.070	5	40	BGBB	in-vitro
O=[N+]([O-])/C(=C\Nc1ccccc1)c1ccccc1	6756876	TWGCPNATHDCESO-KAMYIIQDSA-N	240.262	3.374	5	40	BGBB	
CCCCCC[N+]1(C)C[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1	4769266	QYEDHFFPKRQQKH-SJJOOFSGSA-N	234.407	3.465	5	40	BGBB	
CCC(CC)Nc1ccccc1[N+](=O)[O-]	19999615	GXMNSVRNTMFUKM-UHFFFAOYSA-N	208.261	3.195	5	40	BGBB	
NNc1ccc2cc3ccccc3cc2c1	34797556	TXDKKDLVUVUMIJ-UHFFFAOYSA-N	208.264	3.279	5	40	BGBB	in-vitro
CC[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-]	36964520	QLORJLAVUIVURE-VIFPVBQESA-N	208.261	3.114	5	40	BGBB	
Cc1ccc(-c2ccc([N+](=O)[O-])c(C=O)c2)cc1	81162853	KUKJVWPDNAPPOH-UHFFFAOYSA-N	241.246	3.383	5	40	BGBB	
O=[N+]([O-])c1ccc([C@@H]2ON2C2CCCCC2)cc1	1705857	UWJWLMHGUVILAG-LSLKUGRBSA-N	248.282	3.173	5	40	BGBB	
Cc1ccc2c([N+](=O)[O-])c(C)ccc2c1[N+](=O)[O-]	5081356	HNFYEKHUPOUFBE-UHFFFAOYSA-N	246.222	3.273	5	40	BGBB	
CC(=O)c1ccc(C(C)(C)C)cc1[N+](=O)[O-]	5379281	PHLHQZTVGGGDEH-UHFFFAOYSA-N	221.256	3.095	5	40	BGBB	
CC(C)CNc1ccc(Cl)cc1[N+](=O)[O-]	20553878	NWULCMLLZYUAIA-UHFFFAOYSA-N	228.679	3.316	5	40	BGBB	
Clc1ccnc2c1ccc1cccnc12	59444042	BAEVILLEIGDCDN-UHFFFAOYSA-N	214.655	3.436	5	40	BGBB	
O=Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	38080423	WNUVHWSDQVUOSY-UHFFFAOYSA-N	243.218	3.200	5	40	BGBB	
C[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F	66323192	NEEBNUPDRJLNCP-ZCFIWIBFSA-N	219.162	3.261	5	40	BGBB	
O=[N+]([O-])c1ccc2ccc(Cl)cc2c1	71256694	CECBPKQCQKJAAC-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
Cc1ccc([N+](=O)[O-])c(C(=O)c2ccccc2)c1	95635224	QKHIFDDYVCCJOL-UHFFFAOYSA-N	241.246	3.134	5	40	BGBB	
O=[N+]([O-])c1ccc(O[P@@]2(=O)C=CCC2)cc1	6093335	MNAXXBUIBZRUSH-INIZCTEOSA-N	239.167	3.169	5	40	BGBB	
O=[N+]([O-])c1ccc2nc(C(F)(F)F)ccc2c1	15446284	QVDDLZVXMFCPRQ-UHFFFAOYSA-N	242.156	3.162	5	40	BGBB	
Cc1ccc2cc3nc(C)ccc3cc2n1	3844768	NUXCWTVFDCBDKV-UHFFFAOYSA-N	208.264	3.400	5	40	BGBB	biogenic
C[C@@]1(Cc2ccccc2)C[N+]12CCCCC2	5085933	BYFJSPWUFKLJLK-OAHLLOKOSA-N	216.348	3.002	5	40	BGBB	
O=[N+]([O-])c1cccc(F)c1OC1CCCCC1	67800610	NZHCBWYDHDNXSU-UHFFFAOYSA-N	239.246	3.445	5	40	BGBB	
O=[N+]([O-])c1cccc2c(Cl)nc(Cl)cc12	85386145	RCRDYTXSRVCIHW-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
Nc1ccccc1-c1ccc([N+](=O)[O-])cc1Cl	1721159	BQLSLQJKWOJPJV-UHFFFAOYSA-N	248.669	3.497	5	40	BGBB	
COc1ccc2c(c1)[N+](C)(C)C(C)(C)C=C2C	289765	TYXFHPUNCQHTBF-UHFFFAOYSA-N	232.347	3.458	5	40	BGBB	biogenic
O=[N+]([O-])c1ccccc1OCc1cccc(F)c1	60383283	CEDRMRFIMWXGQW-UHFFFAOYSA-N	247.225	3.313	5	40	BGBB	
Cc1c(C(N)=O)c2ccccc2c2ccccc12	1578677	QKHREYSTWBGFFS-UHFFFAOYSA-N	235.286	3.400	5	40	BGBB	
O=[N+]([O-])c1ccc(Cl)c(C(F)F)c1	143665656	AZXIMSLYUJZLJH-UHFFFAOYSA-N	207.563	3.186	5	40	BGBB	
CC(=O)c1ccc(-c2ccccc2)c([N+](=O)[O-])c1	22003744	RYDDNTFGUBVICV-UHFFFAOYSA-N	241.246	3.464	5	40	BGBB	
Cc1cc([N+](=O)[O-])cc2nc(C(C)(C)C)oc12	226247974	PTOPURIYBIQKBP-UHFFFAOYSA-N	234.255	3.342	5	40	BGBB	
Cc1cc2c([N+](=O)[O-])ccc(Cl)c2[nH]1	15443563	NVRMAJKGSJVOBE-UHFFFAOYSA-N	210.620	3.038	5	40	BGBB	
c1ccc2c(c1)[nH]c1c2nc2sccn21	5479016	CFHZNSBPDDMPQF-UHFFFAOYSA-N	213.265	3.030	5	40	BGBB	
CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	3851310	PDWNIAUZFMHCLK-UHFFFAOYSA-N	244.634	3.280	5	40	BGBB	biogenic
CC[C@@H](c1cccc(O)c1)[C@@H](C)C[N+](C)(C)[O-]	77313261	QJMYEQICSAOVMO-SMDDNHRTSA-N	237.343	3.096	5	40	BGBB	in-vitro
Cn1c2ccccc2c2c3ccc[n+](C)c3ccc21	1713905	IAQYIJJPLDSORP-UHFFFAOYSA-N	247.321	3.309	5	40	BGBB	in-vivo
NCc1ccc2cc3ccccc3cc2c1	138501347	LQGQGDKBPIBLBB-UHFFFAOYSA-N	207.276	3.452	5	40	BGBB	
CCCCCCNCc1cccc([N+](=O)[O-])c1	7261072	QYRKWDAVHFJKBV-UHFFFAOYSA-N	236.315	3.265	5	40	BGBB	
NC(=O)Cc1cc2ccccc2c2ccccc12	70462091	YSCORTBQUWQNRF-UHFFFAOYSA-N	235.286	3.021	5	40	BGBB	
Cc1cc([N+](=O)[O-])c(C)c(Br)c1C	1561131	KPQBZJCFTJHRJU-UHFFFAOYSA-N	244.088	3.283	5	40	BGBB	in-vitro
Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1Cl	152855	LZQIEGPPHXRHQH-UHFFFAOYSA-N	236.054	3.224	5	40	BGBB	
Cn1c2ccccc2c(=O)c2ccc(Cl)cc21	5010498	IBBMWCKISGYFMK-UHFFFAOYSA-N	243.693	3.345	5	40	BGBB	
CC[N+](C)(CC)CCCCC[N+](C)(CC)CC	1571287	XSGUKVZOHDWGHI-UHFFFAOYSA-N	244.467	3.130	5	40	BGBB	
O=[N+]([O-])c1ccc([C@H]2ON2C2CCCCC2)cc1	5004810	UWJWLMHGUVILAG-KWCCSABGSA-N	248.282	3.173	5	40	BGBB	
O=[N+]([O-])c1ccccc1OC1CCCCC1	34362648	NWWDNUORQBVXQM-UHFFFAOYSA-N	221.256	3.306	5	40	BGBB	
Nc1ccc2cc3cc(N)ccc3cc2c1	34353365	UXOSWMZHKZFJHD-UHFFFAOYSA-N	208.264	3.157	5	40	BGBB	
N#Cc1c2ccccc2nc2ccc(F)cc12	39140244	LKYZTCYPFIZRMW-UHFFFAOYSA-N	222.222	3.399	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1C	45886365	GFAZDIGYHMRXSW-LLVKDONJSA-N	234.299	3.282	5	40	BGBB	
C[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F	66323191	NEEBNUPDRJLNCP-LURJTMIESA-N	219.162	3.261	5	40	BGBB	
CC[N+](CC)(CC)C[C@H]1CC1(Cl)Cl	3069165	AAPLDRCQVAAETQ-SECBINFHSA-N	225.183	3.057	5	40	BGBB	
C[C@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cc2)C1	18094032	CXJQWEBVQMSSJC-PHIMTYICSA-N	234.299	3.077	5	40	BGBB	
Nc1ccc2nc3cc(Cl)ccc3nc2c1	28114572	HEXCEXCOYAICFZ-UHFFFAOYSA-N	229.670	3.019	5	40	BGBB	
c1ccc2nc3c(CNC4CC4)cccc3nc2c1	85390720	HVHVODYPXBOMQM-UHFFFAOYSA-N	249.317	3.035	5	40	BGBB	
CC(C)Nc1ccc([N+](=O)[O-])cc1Cl	21014078	NEWJVSYAGACQOP-UHFFFAOYSA-N	214.652	3.069	5	40	BGBB	
CC(C)[C@H](C)Nc1ccccc1[N+](=O)[O-]	20298720	HBPSTNGDALJIPE-VIFPVBQESA-N	208.261	3.051	5	40	BGBB	
O=[P@@H](O)c1cc2ccccc2c2ccccc12	6576388	QYXLEOICNCANHI-UHFFFAOYSA-N	242.214	3.085	5	40	BGBB	
O=[N+]([O-])c1ccc([C@H]2O[C@H]2c2ccccc2)cc1	1728002	YUZKNYLREGXARL-UONOGXRCSA-N	241.246	3.407	5	40	BGBB	
CSc1ccc([N+](=O)[O-])c(SC)c1	4127874	NVTIFLVUMWUDGV-UHFFFAOYSA-N	215.299	3.039	5	40	BGBB	
O=[N+]([O-])c1ccc2[nH]nc(-c3cccs3)c2c1	11691803	OAWYWYGJSPKFHL-UHFFFAOYSA-N	245.263	3.200	5	40	BGBB	
Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1	2243483	DODALEWEFUJNPP-UHFFFAOYSA-N	246.291	3.328	5	40	BGBB	
Cc1cc(O)c(C(C)(C)C)cc1[N+](C)(C)C	1600809	LWBPZNQJKUNSPM-UHFFFAOYSA-O	222.352	3.195	5	40	BGBB	
O=[N+]([O-])c1cccc2cnc(C(F)F)cc12	575629160	KXKRQCAYFJPDEU-UHFFFAOYSA-N	224.166	3.081	5	40	BGBB	
CCOc1ccc2ccccc2c1[N+](=O)[O-]	39410771	OLTPLWKHHZTLJB-UHFFFAOYSA-N	217.224	3.147	5	40	BGBB	
CC[N+](CC)(CC)C[C@@H]1CC1(Cl)Cl	3069166	AAPLDRCQVAAETQ-VIFPVBQESA-N	225.183	3.057	5	40	BGBB	
Cc1cc(C)cc(Oc2ncccc2[N+](=O)[O-])c1	7185913	HFTNVFLWOXUNNM-UHFFFAOYSA-N	244.250	3.399	5	40	BGBB	
O=[N+]([O-])c1ccc([C@@H]2ON2c2ccccc2)cc1	1719098	UXGNBGDQDYXLPU-LSLKUGRBSA-N	242.234	3.045	5	40	BGBB	
C[C@H]1CC(C)(C)Nc2cc([N+](=O)[O-])ccc21	72422464	WTTYAOABQPRBCC-QMMMGPOBSA-N	220.272	3.293	5	40	BGBB	
O=[N+]([O-])c1cccc(-c2cccs2)c1	5671445	FREKGJOVUQPIKK-UHFFFAOYSA-N	205.238	3.323	5	40	BGBB	
O=[N+]([O-])c1ccc2[nH]cc(C(F)F)c2c1	575629149	KQIPAQPOHXDAOL-UHFFFAOYSA-N	212.155	3.014	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NC1CC1	11114660	CTFUHAVXHWZXPL-UHFFFAOYSA-N	247.081	3.476	5	40	BGBB	
Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	111506788	ISBHZHQARAFLGY-UHFFFAOYSA-N	203.197	3.163	5	40	BGBB	
CCCCCC[N+]1(C)C[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	17288774	QYEDHFFPKRQQKH-OLXYTISPSA-N	234.407	3.465	5	40	BGBB	
CC(C)c1cnc(-c2ccc([N+](=O)[O-])cc2)o1	68575807	PHIVFTGTDDTQRN-UHFFFAOYSA-N	232.239	3.373	5	40	BGBB	
CCOc1cccc2c(=O)c3ccccc3[nH]c12	22113163	JEBKXTDJHXSCMS-UHFFFAOYSA-N	239.274	3.080	5	40	BGBB	
CCCCNc1ccc(C(C)=O)cc1[N+](=O)[O-]	67949512	TXZDXIGBLYDYEC-UHFFFAOYSA-N	236.271	3.009	5	40	BGBB	
C[N+]1(C)Cc2ccccc2-c2ccccc2C1	1727822	BDDIPJKKGGJNKW-UHFFFAOYSA-N	224.327	3.444	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1NC1CCCC1	4115605	RVTQLMQWRGQKAH-UHFFFAOYSA-N	220.272	3.258	5	40	BGBB	
Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1	100090070	JBGKVNQFVAJOGC-UHFFFAOYSA-N	240.258	3.418	5	40	BGBB	biogenic,in-vitro
N=[S@@](c1ccccc1)c1ccccc1[N+](=O)[O-]	5824408	SPYDFBWDKGPWNX-QGZVFWFLSA-N	246.291	3.393	5	40	BGBB	
COc1ccccc1C[N+](C)(C)c1ccccc1	16248940	RPWNJAYHFVKPEZ-UHFFFAOYSA-N	242.342	3.462	5	40	BGBB	
O=[N+]([O-])c1cc(F)ccc1SC(F)(F)F	604221616	MDERERQSQDPHIB-UHFFFAOYSA-N	241.165	3.346	5	40	BGBB	
C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cc2)C1	4774013	CXJQWEBVQMSSJC-QWRGUYRKSA-N	234.299	3.077	5	40	BGBB	
O=[N+]([O-])c1cnc2ccc(Cl)cc2c1Cl	39171172	LSMIOKSCDLKEJW-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
NCc1cccc2cc3ccccc3cc12	113189251	XJORSXWICIGQLB-UHFFFAOYSA-N	207.276	3.452	5	40	BGBB	
O=[N+]([O-])c1ccccc1OCc1ccc(F)cc1	97526697	IRALQNOXWKHNNJ-UHFFFAOYSA-N	247.225	3.313	5	40	BGBB	
O=c1ccc2ccccc2c2ccccc12	1630474	WJFOWHGZSALYEC-UHFFFAOYSA-N	206.244	3.353	5	40	BGBB	biogenic
O=[N+]([O-])c1ccc(O)c2c(Cl)csc12	228936664	XMUVJTVEQLFSEO-UHFFFAOYSA-N	229.644	3.169	5	40	BGBB	
O=[N+]([O-])c1cccc(OCc2ccc(F)cc2)c1	60386826	IKCOZAPCQQWBGQ-UHFFFAOYSA-N	247.225	3.313	5	40	BGBB	
C[N+](C)(C)c1ccc(C(=O)c2ccccc2)cc1	83900	LZKFNXOIVCWQNU-UHFFFAOYSA-N	240.326	3.114	5	40	BGBB	
N=[S@](c1ccccc1)c1ccccc1[N+](=O)[O-]	6575805	SPYDFBWDKGPWNX-KRWDZBQOSA-N	246.291	3.393	5	40	BGBB	
Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1	17313056	CHIJEKAVDZLCJA-UPHRSURJSA-N	240.262	3.347	5	40	BGBB	
O=[N+]([O-])c1cc(F)cc2c1-c1ccc(F)cc1C2	1592340	UUTBZRQFTBBPFY-UHFFFAOYSA-N	247.200	3.444	5	40	BGBB	
O=[N+]([O-])c1ccc(SC(F)(F)F)cc1	261803	ILLBHPYCTYQBQI-UHFFFAOYSA-N	223.175	3.207	5	40	BGBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc2[nH]ccc12	89204488	NSPYUGMHOGMEPM-UHFFFAOYSA-N	230.145	3.095	5	40	BGBB	
O=[N+]([O-])c1ccc2nc(Cl)cc(Cl)c2c1	71791021	ZHHMYLFTTXCPRJ-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
COc1cccc2nc3ccc(Cl)cc3nc12	5361714	FGAMSQGWUFNXBG-UHFFFAOYSA-N	244.681	3.445	5	40	BGBB	
Cc1noc(/C=C/c2cccs2)c1[N+](=O)[O-]	9235684	HWGLLYJNZYAASW-SNAWJCMRSA-N	236.252	3.123	5	40	BGBB	
CC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	67949706	IBISSNFWWOZJEL-UHFFFAOYSA-N	248.282	3.152	5	40	BGBB	
O=[N+]([O-])c1ccc(/C=C/c2cccs2)nc1	84503267	DGYUUYSMWAKHGT-GQCTYLIASA-N	232.264	3.222	5	40	BGBB	
Nc1cc([N+](=O)[O-])ccc1C=Cc1ccccc1	2049238490	GCHLVUFVBVRBJY-UHFFFAOYSA-N	240.262	3.347	5	40	BGBB	
Clc1cccc2nc3ccccc3nc12	19802612	RPOUGULCGNMIBX-UHFFFAOYSA-N	214.655	3.436	5	40	BGBB	
Cc1c([N+](=O)[O-])cnc2c(Cl)cccc12	256052871	OZTFMGCLUKBNBE-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
CCCC[N+]1(C)CCC[C@@H]1c1cccnc1	1718326	IQKIOIIJRIGBAI-IURRXHLWSA-N	219.352	3.163	5	40	BGBB	
CCCc1cccc2nc3cccc(O)c3nc12	76495135	IXEALPIVOCSVPB-UHFFFAOYSA-N	238.290	3.441	5	40	BGBB	
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	2385724	JTCFVBWDULLQMJ-UHFFFAOYSA-N	233.248	3.136	5	40	BGBB	
O=[N+]([O-])c1ccc(C[C@@H]2CC2(Cl)Cl)cc1	375062	JFLNCNPFYVDSCN-MRVPVSSYSA-N	246.093	3.331	5	40	BGBB	biogenic
O=[N+]([O-])c1ccc(C2SCCCS2)cc1	1719805	LVGOSUIURNNECQ-UHFFFAOYSA-N	241.337	3.464	5	40	BGBB	
CCOc1ccc([N+](=O)[O-])c2ccccc12	39642037	FPMSZXHIZLTHHY-UHFFFAOYSA-N	217.224	3.147	5	40	BGBB	
O=[N+]([O-])c1cccc(F)c1SC(F)(F)F	604221612	LZOQSKLBHOJXGH-UHFFFAOYSA-N	241.165	3.346	5	40	BGBB	
Cc1ccc2c([N+](=O)[O-])c(Cl)ccc2n1	34590061	DNKVZRWMEGSLOU-UHFFFAOYSA-N	222.631	3.105	5	40	BGBB	
Cc1ccccc1Sc1ccc([N+](=O)[O-])cn1	481395	MNPZMBOPVWDISD-UHFFFAOYSA-N	246.291	3.449	5	40	BGBB	
CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl	21013678	CVONUBAUWFZHGO-ZETCQYMHSA-N	228.679	3.459	5	40	BGBB	
Cc1cc(C)c2ncc([N+](=O)[O-])c(Cl)c2c1	165861447	ZWMUJOJYSUECHE-UHFFFAOYSA-N	236.658	3.413	5	40	BGBB	
Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)o1	23296261	IGZQSBNHUJSHKE-SECBINFHSA-N	247.254	3.064	5	40	BGBB	
CCC(CC)Oc1ccccc1[N+](=O)[O-]	67800729	AUTALUFKIARWSJ-UHFFFAOYSA-N	209.245	3.162	5	40	BGBB	
Cc1ccc([N+](=O)[O-])c(Oc2cccnc2)c1	88698906	HOSOWJUAGUXVRJ-UHFFFAOYSA-N	230.223	3.091	5	40	BGBB	
CC1=CC(C)=Nc2cc([N+](=O)[O-])ccc2N1	5977661	JKTILKGPXVIKNI-UHFFFAOYSA-N	217.228	3.017	5	40	BGBB	
O=[N+]([O-])c1ccc(OCc2cccc(F)c2)cc1	60383262	IVOVODAXYABLAF-UHFFFAOYSA-N	247.225	3.313	5	40	BGBB	
Nc1cccc(/C=C/c2cccc([N+](=O)[O-])c2)c1	1749038	FFBUZZYRZRFBFQ-BQYQJAHWSA-N	240.262	3.347	5	40	BGBB	
N#[N+]c1ccc2c(c1)[nH]c(=O)c1ccccc12	8637599	FMYCDDNFYUVFIZ-UHFFFAOYSA-O	222.227	3.166	5	40	BGBB	
Nc1ccc2cc3[nH]c4cc(N)ccc4c3nc2c1	1648668	VXJCEYHNPBHQOS-UHFFFAOYSA-N	248.289	3.034	5	40	BGBB	
CCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1607075	BBDYPXZKJKKPFO-UHFFFAOYSA-N	242.256	3.005	5	40	BGBB	
O=Cc1cccc(-c2ccccc2[N+](=O)[O-])c1	33427595	BEHUWDXVYUVMOV-UHFFFAOYSA-N	227.219	3.074	5	40	BGBB	
NCc1ccc2ccc3ccccc3c2c1	1569682	HVUDJZJTMGITAU-UHFFFAOYSA-N	207.276	3.452	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)cc2ccccc12	71256696	FDBCEJTXDLBXOX-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
Cc1ccc(N2C[C@@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1	216766562	LLSSAIAOTKRDKT-TXEJJXNPSA-N	248.326	3.386	5	40	BGBB	
O=C(OC1CCCCC1)c1ccc([N+](=O)[O-])cc1	1599561	SXERGDOODBLTMY-UHFFFAOYSA-N	249.266	3.084	5	40	BGBB	
O=[N+]([O-])/C=C\c1csc2ccccc12	4990947	QGDOPMZVTCUICZ-WAYWQWQTSA-N	205.238	3.149	5	40	BGBB	
CC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl	38589835	NAMVLFOWONWZFY-UHFFFAOYSA-N	234.038	3.104	5	40	BGBB	
O=Cc1ccc(-c2ccccc2[N+](=O)[O-])s1	9791120	XATOZQNAFCDQPC-UHFFFAOYSA-N	233.248	3.136	5	40	BGBB	
O=[N+]([O-])c1ccc(SN2CCCCC2)cc1	497612	NDPPBEGEQCHRQW-UHFFFAOYSA-N	238.312	3.088	5	40	BGBB	
O=[N+]([O-])C1=CC2c3ccccc3C1c1ccccc12	344496	CKYKKUSEVIIRPZ-UHFFFAOYSA-N	249.269	3.438	5	40	BGBB	
CN(c1ccccc1[N+](=O)[O-])C1CCCCC1	57366626	KWGKAWQYKVEIPN-UHFFFAOYSA-N	234.299	3.364	5	40	BGBB	
Nc1cc([N+](=O)[O-])ccc1/C=C\c1ccccc1	4701128	GCHLVUFVBVRBJY-SREVYHEPSA-N	240.262	3.347	5	40	BGBB	
CSc1ccc([N+](=O)[O-])cc1C(F)(F)F	39207586	BKAXBXQLSZSMLB-UHFFFAOYSA-N	237.202	3.336	5	40	BGBB	
O=[N+]([O-])c1cc(Cl)ccc1C(F)F	238699013	FJTYBIHZSLCTJU-UHFFFAOYSA-N	207.563	3.186	5	40	BGBB	
CC(C)(C)COc1ccc([N+](=O)[O-])cc1F	67800727	XPLRWPYIBVIVAE-UHFFFAOYSA-N	227.235	3.159	5	40	BGBB	
O=[N+]([O-])c1ccc(C(F)(F)C(F)(F)F)cc1	34226824	NWBQMKBXBNAKQN-UHFFFAOYSA-N	241.115	3.249	5	40	BGBB	
CC(=O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-]	87418423	XMHZKVIAHDDQKQ-UHFFFAOYSA-N	248.065	3.033	5	40	BGBB	
COc1ccc(-c2ccccc2)c([N+](=O)[O-])c1	22003725	NJWRQRNSXPDHMJ-UHFFFAOYSA-N	229.235	3.270	5	40	BGBB	
Cc1ccccc1/C=C\c1onc(C)c1[N+](=O)[O-]	33854453	UOWJICZOMCIKPE-FPLPWBNLSA-N	244.250	3.370	5	40	BGBB	
CC[N+](CC)(CC)c1ccsc1NC(C)=O	28051573	UKRCDCFFDYABGZ-UHFFFAOYSA-O	241.380	3.074	5	40	BGBB	
CCc1ccc2ncc([N+](=O)[O-])c(Cl)c2c1	118421388	KWFWJUMXKUINAY-UHFFFAOYSA-N	236.658	3.359	5	40	BGBB	
O=[N+]([O-])c1cccc(-c2ccccc2[N+](=O)[O-])c1	2556288	FMHCZXFBIPODBJ-UHFFFAOYSA-N	244.206	3.170	5	40	BGBB	
O=c1[nH]c2c(Cl)cccc2c2ccccc12	8649794	IIMTZKMXNDFVIB-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
O=[N+]([O-])c1ccc(O)c(-c2cccs2)c1	34781274	RBRJILBGEJNBIF-UHFFFAOYSA-N	221.237	3.029	5	40	BGBB	
Cc1noc(/C=C\c2ccccc2F)c1[N+](=O)[O-]	109016074	DNFBGRQHUFIPDA-SREVYHEPSA-N	248.213	3.201	5	40	BGBB	
Cc1ccc(C[N+](C)(C)c2ccccc2)o1	1596274	RHYLANJZQOOEPI-UHFFFAOYSA-N	216.304	3.355	5	40	BGBB	
COc1ccc([N+](=O)[O-])c2scc(Cl)c12	228967115	XPRDANYMPVNLNK-UHFFFAOYSA-N	243.671	3.472	5	40	BGBB	
C/C(=C/c1cccc2ccccc12)[N+](=O)[O-]	97913	MMXWPLHUAYHYNT-KTKRTIGZSA-N	213.236	3.477	5	40	BGBB	
CC[n+]1cc2ccccc2c2ccccc21	1682017	KZVOVZJPHXGNRW-UHFFFAOYSA-N	208.284	3.300	5	40	BGBB	
Cc1cccc(COc2ccc([N+](=O)[O-])cc2)c1	72238424	RNDUGCGDTUGCKN-UHFFFAOYSA-N	243.262	3.482	5	40	BGBB	
Clc1ncnc2cc3ccccc3cc12	32629206	XTNHXFOZPLRRNV-UHFFFAOYSA-N	214.655	3.436	5	40	BGBB	in-vitro
O=[N+]([O-])c1cc(Cl)c2ccccc2c1	71256678	LSACNADXSMNMJS-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
NCc1cc2ccccc2c2ccccc12	1594842	BINPPAGEURCXIV-UHFFFAOYSA-N	207.276	3.452	5	40	BGBB	
O=[N+]([O-])c1cnc2c(Cl)cccc2c1Cl	38954198	RQECNHYTLTWCHW-UHFFFAOYSA-N	243.049	3.450	5	40	BGBB	
CCOc1cccc2nc3cccc(C)c3nc12	76495101	VLKZIBAAQCVHAX-UHFFFAOYSA-N	238.290	3.490	5	40	BGBB	
C[N+]1(C2CCCCC2)Cc2ccccc2C1	1025940	ROYXTWGZVNFOEZ-UHFFFAOYSA-N	216.348	3.480	5	40	BGBB	
O=[N+]([O-])c1ccccc1COc1ccccc1	345637	CNGZYNBBFKOWRD-UHFFFAOYSA-N	229.235	3.174	5	40	BGBB	
COC(=O)c1cc2cc3ccccc3cc2cn1	38255039	IQGQGMLXGBEYBC-UHFFFAOYSA-N	237.258	3.175	5	40	BGBB	
O=[N+]([O-])c1cccc(OC(F)(F)F)c1Cl	95215587	GLKBPWHJBDQOSK-UHFFFAOYSA-N	241.552	3.147	5	40	BGBB	
Cc1cc[n+](C)c2ccc3ccccc3c12	75402887	WJDACFAXVKEKQJ-UHFFFAOYSA-N	208.284	3.126	5	40	BGBB	
CC[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-]	21033178	MNPBYECEKQNYLZ-SSDOTTSWSA-N	228.679	3.459	5	40	BGBB	
O=[N+]([O-])c1ccc2oc3ccccc3c2c1	3299747	YPFPLEUXZNAAEE-UHFFFAOYSA-N	213.192	3.494	5	40	BGBB	
CCCC[C@H](CC)Cn1cc([N+](=O)[O-])cn1	67799517	XNMQTGNDWSKDGU-JTQLQIEISA-N	225.292	3.008	5	40	BGBB	
Cc1cc(OCC2CC2)c(Cl)cc1[N+](=O)[O-]	506416254	MCTXXVYMXYWIRE-UHFFFAOYSA-N	241.674	3.345	5	40	BGBB	
Clc1ccc(C[N+]23CCC(CC2)CC3)cc1	204018	TYXGGIUIJLJHIA-UHFFFAOYSA-N	236.766	3.471	5	40	BGBB	
Cc1cccc2c(=O)c3ccccc3oc12	4353189	OGZJIXXTIGVQCR-UHFFFAOYSA-N	210.232	3.255	5	40	BGBB	
O=c1[nH]c2ccccc2c2c(Cl)cccc12	8627962	QKWGNLPHCOPCSV-UHFFFAOYSA-N	229.666	3.335	5	40	BGBB	
CCCCNc1ccc([N+](=O)[O-])c(C)c1	35277309	WENCGOUEMXZUAC-UHFFFAOYSA-N	208.261	3.115	5	40	BGBB	
Cc1c(C(=O)c2ccccc2)cccc1[N+](=O)[O-]	39020518	CMGBMDFPBWVRMC-UHFFFAOYSA-N	241.246	3.134	5	40	BGBB	
CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1	35277266	ZTFGXNHIILAXPN-VIFPVBQESA-N	208.261	3.114	5	40	BGBB	
O=[N+]([O-])c1cccnc1Sc1ccccc1	166660	QBKSNGRLYLQJSE-UHFFFAOYSA-N	232.264	3.141	5	40	BGBB	
Cc1nc2ccccc2c2c(N)cccc12	1683336	VAPUUTKGROVHHN-UHFFFAOYSA-N	208.264	3.279	5	40	BGBB	
O=[N+]([O-])c1ccc(Cl)cc1C(F)F	118082163	WJXGYWQRHKKNIW-UHFFFAOYSA-N	207.563	3.186	5	40	BGBB	
c1ccc2c(c1)C[N+]1(CCCCCC1)C2	1594942	KZRHCGICPMWPPP-UHFFFAOYSA-N	202.321	3.091	5	40	BGBB	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccncc1	35122258	OHGKFFMVDATVRI-SNVBAGLBSA-N	243.266	3.163	5	40	BGBB	
CCC(CC)Nc1ccc([N+](=O)[O-])cc1	21804116	HGOUVSCYFMATEN-UHFFFAOYSA-N	208.261	3.195	5	40	BGBB	
O=[N+]([O-])c1cccc2cc3ccccc3nc12	15020985	VOXJXIMFTHTSAF-UHFFFAOYSA-N	224.219	3.296	5	40	BGBB	
Nc1ccc(/C=C\c2ccccc2)c([N+](=O)[O-])c1	8627771	LKEBMAHZARCAPS-SREVYHEPSA-N	240.262	3.347	5	40	BGBB	
O=[N+]([O-])c1cccc(-c2csc(Cl)n2)c1	61714234	YKJLHPOQANIGHK-UHFFFAOYSA-N	240.671	3.372	5	40	BGBB	
O=[N+]([O-])c1ccc2cccc(Cl)c2c1	39953	GGHRRMKLOHCQEP-UHFFFAOYSA-N	207.616	3.401	5	40	BGBB	
NCCc1cc2ccccc2c2ccccc12	1576560	OAFLPVFYZZCYLC-UHFFFAOYSA-N	221.303	3.494	5	40	BGBB	
CCCC[C@@H](CC)Cn1cc([N+](=O)[O-])cn1	67799516	XNMQTGNDWSKDGU-SNVBAGLBSA-N	225.292	3.008	5	40	BGBB	
O=[N+]([O-])c1ccc(NCc2ccccc2)c(F)c1	20474745	NTPGVWDPQFFUSU-UHFFFAOYSA-N	246.241	3.346	5	40	BGBB	
Clc1ccnc2ccc3ncccc3c12	13208301	YWRLMNOEPBVGBU-UHFFFAOYSA-N	214.655	3.436	5	40	BGBB	
CC(C)(C)c1c[nH]c2ccc([N+](=O)[O-])cc12	116248275	PDTVHDXZDIUULT-UHFFFAOYSA-N	218.256	3.374	5	40	BGBB	
C[C@@]12CCCC[N@+]1(C)CCC1=C2CCC1	245231478	DJNDPFGUGUOKJI-LSDHHAIUSA-N	206.353	3.260	5	40	BGBB	
CCCCCC(=O)Nc1cccc([N+](=O)[O-])c1	5297443	MPVGXCSUZCMVCI-UHFFFAOYSA-N	236.271	3.114	5	40	BGBB	
Oc1cccc2nc3c(Cl)cccc3nc12	76494929	OSXZWEGELZCGAI-UHFFFAOYSA-N	230.654	3.142	5	40	BGBB	
CC(C)[N+](C)(C)CCCCC[N+](C)(C)C(C)C	1953014	XNCJSQQBRGKZQI-UHFFFAOYSA-N	244.467	3.126	5	40	BGBB	
O=[N+]([O-])c1ccc(OC2CCCCC2)c(F)c1	67800615	PLKGAHIUZYVLPU-UHFFFAOYSA-N	239.246	3.445	5	40	BGBB	
O=[N+]([O-])[C@H]1CC12c1ccccc1-c1ccccc12	1722442	UQJXUNBFXGVJRB-AWEZNQCLSA-N	237.258	3.002	5	40	BGBB	
O=Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1	33427596	HLFSVIJMYIQZSX-UHFFFAOYSA-N	227.219	3.074	5	40	BGBB	
O=[N+]([O-])c1ccc(F)cc1SC(F)(F)F	604221513	GAEJBTOJWKVVQX-UHFFFAOYSA-N	241.165	3.346	5	40	BGBB	
Cc1cc(C)n2c(c1)cc(=O)c1ccccc12	384107	MFRNKXDOFDHZIR-UHFFFAOYSA-N	223.275	3.070	5	40	BGBB	
O=[N+]([O-])c1ccccc1SN1CCCCC1	499193	ZTOXSUVFEBRNTL-UHFFFAOYSA-N	238.312	3.088	5	40	BGBB	
O=[N+]([O-])c1ccc2c(c1)-c1ccccc1C2	1666537	CKAGNBSBBQJLCI-UHFFFAOYSA-N	211.220	3.166	5	40	BGBB	in-vitro
CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1	35277263	ZTFGXNHIILAXPN-SECBINFHSA-N	208.261	3.114	5	40	BGBB	
Cc1cccc2c1nc1ccc(Cl)cc1[n+]2C	5699026	AGLMMERCTACMEE-UHFFFAOYSA-N	243.717	3.174	5	40	BGBB	
Cn1c(C(C)(C)C)cc2cc([N+](=O)[O-])ccc21	71625035	VRGAZLNXPPQBNH-UHFFFAOYSA-N	232.283	3.384	5	40	BGBB	
O=[N+]([O-])c1ccsc1Oc1ccccc1	67802492	QPCFVEFHIHJDEK-UHFFFAOYSA-N	221.237	3.449	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	45886369	NBHJAJNCAKRPTN-UHFFFAOYSA-N	234.299	3.140	5	40	BGBB	
O=C1CCCCC[C@H]1c1ccc([N+](=O)[O-])cc1	62616091	HUTOIIXRMMHYKV-LBPRGKRZSA-N	233.267	3.212	5	40	BGBB	
CC1(C)CCN(c2ccccc2[N+](=O)[O-])CC1	608885881	UUZAWDIUXZEDFH-UHFFFAOYSA-N	234.299	3.221	5	40	BGBB	
C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cccnc1	35122658	OPCMFTWXZYFRQC-SNVBAGLBSA-N	243.266	3.163	5	40	BGBB	
Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1	216767232	OIRYPGJAQWXTFS-QWRGUYRKSA-N	248.326	3.386	5	40	BGBB	
Cc1ccc(Oc2ncccc2[N+](=O)[O-])cc1	7185707	XQFDJSXKPGZEGL-UHFFFAOYSA-N	230.223	3.091	5	40	BGBB	
Cc1cc(Cl)c(Cl)c([N+](=O)[O-])c1	64220104	HMWPBYDTIKHTEK-UHFFFAOYSA-N	206.028	3.210	5	40	BGBB	
Cc1ccccc1Sc1ncccc1[N+](=O)[O-]	481315	AVJSWBJIWDJSBV-UHFFFAOYSA-N	246.291	3.449	5	40	BGBB	
Cc1ccccc1Oc1cc(N)cc([N+](=O)[O-])c1	2558378	MTIHNAVMAXBIKG-UHFFFAOYSA-N	244.250	3.278	5	40	BGBB	
Cc1ccc([N+](=O)[O-])c(-n2cccc2)c1C	95215800	FFWWQPKQMWEFPY-UHFFFAOYSA-N	216.240	3.002	5	40	BGBB	
COc1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	4366487	UJOUHSUSULMZDW-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
CC[C@H](C)Oc1ccc([N+](=O)[O-])c2cccnc12	225394271	WHHNTQDQDPKMNP-VIFPVBQESA-N	246.266	3.320	5	40	BGBB	
Clc1ccc2nc3ccccc3nc2c1	5701004	LYZDGXICDJEHAD-UHFFFAOYSA-N	214.655	3.436	5	40	BGBB	
O=[N+]([O-])c1cc(F)ccc1SC(F)F	604221519	HFQSTMNVYXQPJR-UHFFFAOYSA-N	223.175	3.049	5	40	BGBB	
CCOc1ccc2ccc3cccnc3c2n1	13215013	MRIYYOMMNFKIOZ-UHFFFAOYSA-N	224.263	3.182	5	40	BGBB	
COc1cc(Nc2ccccc2)ccc1[N+](=O)[O-]	98090632	HPORJFLJVQDEAV-UHFFFAOYSA-N	244.250	3.347	5	40	BGBB	
CC(C)(C)[C@@H](c1ccccc1)[N+](C)(C)C	5950562	KRENJJZFQFXDCF-CYBMUJFWSA-N	206.353	3.480	5	40	BGBB	
COc1cccc2nc3cc(C)c(C)cc3nc12	5824155	APDKMOCVRREHQC-UHFFFAOYSA-N	238.290	3.408	5	40	BGBB	
O=[N+]([O-])c1ccc(F)c(-c2ccccc2)c1	47207682	BLGDHUAUKNHHIV-UHFFFAOYSA-N	217.199	3.401	5	40	BGBB	in-vitro
CC(C)(C)COc1c(F)cccc1[N+](=O)[O-]	67800681	YBIHLNHGCHEZNF-UHFFFAOYSA-N	227.235	3.159	5	40	BGBB	
O=[N+]([O-])c1cc(O)ccc1Nc1ccccc1	85210055	QADVBTSLVBVJGR-UHFFFAOYSA-N	230.223	3.044	5	40	BGBB	
O=[N+]([O-])[C@@H]1[C@H](c2ccccc2Cl)[C@H]2C=C[C@H]1C2	104282182	GNXJLTPKYBBZTK-VDUILEQBSA-N	249.697	3.275	5	40	BGBB	
O=[N+]([O-])c1ccc([C@H]2CC2(Cl)Cl)cc1	369295	RCBACYZXMAMNRN-MRVPVSSYSA-N	232.066	3.256	5	40	BGBB	
CCCC[N+]1(C)CCC[C@H]1c1cccnc1	1718324	IQKIOIIJRIGBAI-LBAUFKAWSA-N	219.352	3.163	5	40	BGBB	
Cc1cc2ccccc2c([N+](=O)[O-])c1C	1621383	HAJFJHPDGUZFGH-UHFFFAOYSA-N	201.225	3.365	5	40	BGBB	
Cc1cc(N2CCC(C)CC2)c([N+](=O)[O-])cc1C	45957779	QQLTVPXXHVJXGF-UHFFFAOYSA-N	248.326	3.448	5	40	BGBB	
Cc1cc(/C=C\c2ccco2)c(N)cc1[N+](=O)[O-]	13402321	DUOMEKQTJDBMLJ-PLNGDYQASA-N	244.250	3.249	5	40	BGBB	
O=[N+]([O-])c1cc2c(ccc3ccccc32)o1	1574573	HXRMBVOCHDEAQH-UHFFFAOYSA-N	213.192	3.494	5	40	BGBB	
Oc1ccc2ccc3ccc(O)cc3c2c1	114356948	KETVJOBTVPUWMG-UHFFFAOYSA-N	210.232	3.404	5	40	BGBB	
COc1cc2ccc3ccncc3c2cc1OC	13281475	AFEJTKPVJUGQHB-UHFFFAOYSA-N	239.274	3.405	5	40	BGBB	
COc1cc2ccc3cnccc3c2cc1OC	13283755	IAFJERANWHQJRZ-UHFFFAOYSA-N	239.274	3.405	5	40	BGBB	
CC(C)CN1CCCc2ccc([N+](=O)[O-])cc21	26893989	PPMVNPPYRKIWTP-UHFFFAOYSA-N	234.299	3.003	5	40	BGBB	
CC[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-]	87150656	WAXHVPFXOANAOC-VIFPVBQESA-N	208.261	3.114	5	40	BGBB	
Oc1cccc2nc3cccc(Cl)c3nc12	32255850	KSFBTYYNYGJPAM-UHFFFAOYSA-N	230.654	3.142	5	40	BGBB