smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O	1689169	XKDUODGOACYEEU-VIFPVBQESA-N	249.226	1.031	5	40	BDBB	in-vitro
NNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	22146621	ISRBNLIMZMBJMH-UHFFFAOYSA-N	221.138	1.899	5	40	BDBB	
O=[N+]([O-])c1ncccc1OCc1ccccn1	9379295	PIFCFEZFMLGKCB-UHFFFAOYSA-N	231.211	1.964	5	40	BDBB	
CC[C@H](O)c1cc2c(cc1[N+](=O)[O-])OCCO2	4602362	DZUGNFDFHOHOMY-VIFPVBQESA-N	239.227	1.809	5	40	BDBB	
Cc1cc(C(F)(F)F)nc2c([N+](=O)[O-])cnn12	72338555	PZCQVXKMTFMZEV-UHFFFAOYSA-N	246.148	1.965	5	40	BDBB	
COC(=O)CCc1cc(F)ccc1[N+](=O)[O-]	328578559	OWNNBIFSAOPOML-UHFFFAOYSA-N	227.191	1.840	5	40	BDBB	
O=[N+]([O-])c1cc[n+]([O-])c(NC2CCCCC2)c1	1703083	NESVXBRVGHVMHU-UHFFFAOYSA-N	237.259	1.973	5	40	BDBB	
CNc1cc(NC)c([N+](=O)[O-])cc1[N+](=O)[O-]	4964173	QLZNUFFXTZBJBB-UHFFFAOYSA-N	226.192	1.586	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1N1CCOC1=O	38342372	RWOHFBXDURLAQQ-UHFFFAOYSA-N	238.199	1.560	5	40	BDBB	
O=[N+]([O-])c1ccc(NCc2ccccn2)nc1	19232725	SZVXACKCKQCFMT-UHFFFAOYSA-N	230.227	1.997	5	40	BDBB	
CCNCc1cc(OC)c(OC)cc1[N+](=O)[O-]	78555839	GNSFCOJJNKSQKI-UHFFFAOYSA-N	240.259	1.722	5	40	BDBB	
CCc1cc([N+](=O)[O-])ccc1-n1cnnc1	226315028	BHQDJJOTQXLNDF-UHFFFAOYSA-N	218.216	1.738	5	40	BDBB	
COC(=O)c1cc2c([N+](=O)[O-])cccc2cn1	95830715	BYMILMIMXOKQBF-UHFFFAOYSA-N	232.195	1.930	5	40	BDBB	
COc1cc(N[C@H](C)CO)c([N+](=O)[O-])cc1F	97144402	JCKITERLUFWNMJ-ZCFIWIBFSA-N	244.222	1.535	5	40	BDBB	
COc1ccc(OC)c(OC)c1/C=C/[N+](=O)[O-]	3610196	IMGIPZDSMOTNBB-VOTSOKGWSA-N	239.227	1.960	5	40	BDBB	
OCC1=CC[N@+]2(Cc3ccccc3)CC[C@@H](O)[C@H]12	245377573	MPDVSGSUYGUBLA-OWCLPIDISA-N	246.330	1.069	5	40	BDBB	biogenic
C[N+]1(CCc2ccccc2)CCOCC1	245432	STZCPJSJKBTWMM-UHFFFAOYSA-N	206.309	1.706	5	40	BDBB	
COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	6785903	RFOQKPPKEWYELF-UHFFFAOYSA-N	247.210	1.772	5	40	BDBB	
O=C(Nc1ccon1)c1ccc([N+](=O)[O-])cc1O	97097473	WSDBGGDUHIXLPD-UHFFFAOYSA-N	249.182	1.541	5	40	BDBB	
CCN(CC)CCn1ccc(=O)c([N+](=O)[O-])c1	97058023	TZRLCVCEJOCKIS-UHFFFAOYSA-N	239.275	1.098	5	40	BDBB	
COc1ccc(Cn2cc([N+](=O)[O-])nn2)cc1	409090678	NFIBJFCUAKKRFR-UHFFFAOYSA-N	234.215	1.243	5	40	BDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)C(F)F)cc1	2566566	DVYJGQKFQRBEBY-UHFFFAOYSA-N	237.183	1.591	5	40	BDBB	biogenic
CC1(C)CC([N+](=O)[O-])([N+](=O)[O-])CC(C)(C)N1	19325392	KOSRXOQGDSUXAT-UHFFFAOYSA-N	231.252	1.177	5	40	BDBB	
COc1cccc(-c2n[nH]cc2[N+](=O)[O-])c1	96527461	OKKXUGFKJJCVFT-UHFFFAOYSA-N	219.200	1.994	5	40	BDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC1	3563905	RBNPGZMLMRJUCT-UHFFFAOYSA-N	236.227	1.252	5	40	BDBB	
C[N+]1(C)CC[C@@H](O)[C@@H](c2ccccc2)C1	1593054	JDKZWVSCQZMZQO-CHWSQXEVSA-N	206.309	1.611	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC(CO)CC2)cc1	22995849	DJKPUSPBJFCEMA-UHFFFAOYSA-N	236.271	1.804	5	40	BDBB	
O=C(O)CCCn1ncc([N+](=O)[O-])c1C(F)F	408716089	ITGCVNAVNINHKF-UHFFFAOYSA-N	249.173	1.594	5	40	BDBB	
O=[N+]([O-])c1ccc(CN2CC[C@@H](O)C2)cc1	61707772	PYCWMKHHQBPRTP-LLVKDONJSA-N	222.244	1.161	5	40	BDBB	
Cc1csc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	47239777	MEGRFEMDMIRMFS-PHDIDXHHSA-N	227.245	1.055	5	40	BDBB	
Cc1n[nH]cc1NC(=O)c1ccccc1[N+](=O)[O-]	49476576	VHLHQBBUUPBCQN-UHFFFAOYSA-N	246.226	1.879	5	40	BDBB	
O=[N+]([O-])c1ccccc1NCn1cncn1	5331516	VJSUZKSQWGTFGV-UHFFFAOYSA-N	219.204	1.256	5	40	BDBB	
Cc1nc(SCCN(C)C)ccc1[N+](=O)[O-]	89537037	KNXRLAYDJVKUNE-UHFFFAOYSA-N	241.316	1.952	5	40	BDBB	
Cc1ccc(O[C@H]2CCNC2)c([N+](=O)[O-])c1	42782890	OJRIYKBNXFQDHH-VIFPVBQESA-N	222.244	1.644	5	40	BDBB	
COC(=O)c1ccc(S)c([N+](=O)[O-])c1	142793029	JPDSHWJXMMBSTD-UHFFFAOYSA-N	213.214	1.670	5	40	BDBB	
Cc1ccc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1	99340	DLQZVKNZVDCCIV-ZYHUDNBSSA-N	234.255	1.591	5	40	BDBB	
O=C(O)Cc1ccc([N+](=O)[O-])c2ncccc12	72206548	ANIWPTDBICTPKG-UHFFFAOYSA-N	232.195	1.770	5	40	BDBB	
NCc1cc([N+](=O)[O-])cc(Br)c1N	44248510	NILKDFOQJZBCKG-UHFFFAOYSA-N	246.064	1.398	5	40	BDBB	
CC(C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1	17300523	HVOXVKUENAPOSP-UHFFFAOYSA-N	223.232	1.315	5	40	BDBB	
CN1C(=O)C(C)(C)c2cc([N+](=O)[O-])ccc21	34286448	LCJDJTRVTUSUEL-UHFFFAOYSA-N	220.228	1.849	5	40	BDBB	
CC(=O)Nc1ccc(C(C)=O)c([N+](=O)[O-])c1	26893679	XUZDJCOHEASLAG-UHFFFAOYSA-N	222.200	1.756	5	40	BDBB	
O=[N+]([O-])c1cnccc1NC[C@@H]1CCNC1	87655273	XFASPQZNQBLHPS-MRVPVSSYSA-N	222.248	1.011	5	40	BDBB	
COC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1	16124141	LOJNXJAUOTWCJE-UHFFFAOYSA-N	229.619	1.964	5	40	BDBB	
C[C@H](CO)NC(=O)Nc1ccccc1[N+](=O)[O-]	32779572	FOFMTZXZFKAERG-SSDOTTSWSA-N	239.231	1.097	5	40	BDBB	
N=C(N)c1ncc(Br)cc1[N+](=O)[O-]	199795377	VIHVONMOLUUPOV-UHFFFAOYSA-N	245.036	1.036	5	40	BDBB	
O=[N+]([O-])CCc1cc(F)c(F)cc1F	1535802417	YFUZMWWMRIUTSB-UHFFFAOYSA-N	205.135	1.923	5	40	BDBB	
O=c1cc(O)[nH]c2c([N+](=O)[O-])cccc12	32236758	OQRFLUGAEZVPKH-UHFFFAOYSA-N	206.157	1.142	5	40	BDBB	
CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)O	26894014	VWEUQGXBVCSDPM-UHFFFAOYSA-N	226.188	1.274	5	40	BDBB	in-vitro
O=[N+]([O-])c1c(C(F)(F)F)n[nH]c1Cl	85018736	JRJXEADWLPGTAY-UHFFFAOYSA-N	215.518	1.990	5	40	BDBB	
CN(CC(=O)O)c1ccccc1[N+](=O)[O-]	19280105	YGAUDDLPJMAILT-UHFFFAOYSA-N	210.189	1.116	5	40	BDBB	in-vitro
O=C1O[C@H](c2ccccc2[N+](=O)[O-])C=C1O	16449476	KJDPBXSPQCCMNV-VIFPVBQESA-N	221.168	1.635	5	40	BDBB	
COc1ccc2c(c(C=O)cn2C)c1[N+](=O)[O-]	2598124	YDMDOIHSAYQATQ-UHFFFAOYSA-N	234.211	1.908	5	40	BDBB	
COc1c(C)cc([N+](=O)[O-])c(C)c1C(=O)O	57339736	KBBAZUXTQPQKNC-UHFFFAOYSA-N	225.200	1.918	5	40	BDBB	
C[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1	6519844	VJPXTXIEAOSJBR-UHFFFAOYSA-N	217.117	1.789	5	40	BDBB	in-vivo
C[C@](N)(CC(=O)O)c1ccc([N+](=O)[O-])cc1	96345502	UARPLVHWZJYCSD-JTQLQIEISA-N	224.216	1.243	5	40	BDBB	in-vitro
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCOCC1	202465	VPXQDJZXBXRASW-GFCCVEGCSA-N	242.339	1.149	5	40	BDBB	
CO[C@H](CCC[N+](C)(C)C)CC[N+](C)(C)C	1636931	ZJFVOGQIQPTVJJ-CYBMUJFWSA-N	232.412	1.584	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])cnn1CC(F)(F)F	408715112	KBSZAFZYYMZGPV-UHFFFAOYSA-N	239.109	1.052	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2cc(CO)on2)c1	38313237	XYRUMJFRFUSYEP-UHFFFAOYSA-N	220.184	1.742	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(OCC(F)(F)F)nc1	1043070	INIFPOGCBCXTPR-UHFFFAOYSA-N	222.122	1.931	5	40	BDBB	
COC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1	90513877	NMGFQMDTGKOJGE-UHFFFAOYSA-N	238.199	1.096	5	40	BDBB	
CCNc1cc2c(cc1[N+](=O)[O-])OCO2	35052223	QZUIPZROGBAFES-UHFFFAOYSA-N	210.189	1.755	5	40	BDBB	
NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	44258658	VWWFTIUCALTQTP-DUXPYHPUSA-N	226.619	1.747	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](C2CCCC2)N1	13992141	FBHUYEVWXVQWFZ-WPRPVWTQSA-N	212.249	1.101	5	40	BDBB	in-vitro
N[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1	50244027	UOUOGVMYZQSAEN-MRVPVSSYSA-N	207.233	1.132	5	40	BDBB	
O=c1[nH]c2ccccc2c(=O)n2cccc12	1725240	VUMOEZLRLXJCIQ-UHFFFAOYSA-N	212.208	1.141	5	40	BDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1ccccn1	31672658	AAXGFMMSNSNABY-UHFFFAOYSA-N	231.211	1.200	5	40	BDBB	
C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCCO1	35216655	LYSGMXFNYDPMNZ-WCBMZHEXSA-N	237.259	1.969	5	40	BDBB	
O=[N+]([O-])c1ccc(OC2COC2)c(F)c1	71791967	DKJYFKFFAXHGSB-UHFFFAOYSA-N	213.164	1.512	5	40	BDBB	
CC(=O)[C@@H](C)Sc1c([N+](=O)[O-])c(C)nn1C	75107026	DYUHKLBHTFWRRL-SSDOTTSWSA-N	243.288	1.706	5	40	BDBB	
Cc1noc(CCNc2ccc([N+](=O)[O-])cc2)n1	71899482	VRLZERRWHAMRQF-UHFFFAOYSA-N	248.242	1.941	5	40	BDBB	
O=[N+]([O-])c1ccc(OCCn2ccnn2)cc1	128070092	CGFMACBOTAHHKZ-UHFFFAOYSA-N	234.215	1.265	5	40	BDBB	
CC1(C)C(=O)Nc2cc([N+](=O)[O-])ccc21	34100571	JTVMMOAEEVKAGQ-UHFFFAOYSA-N	206.201	1.825	5	40	BDBB	
O=C(O)c1nc2ccc([N+](=O)[O-])cc2o1	95756850	ZLHIPZUMHCETCW-UHFFFAOYSA-N	208.129	1.434	5	40	BDBB	
O=NNc1nc([N+](=O)[O-])nn1-c1ccccc1	5738707	FPNLHCZPGUFABL-UHFFFAOYSA-N	234.175	1.269	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1O	1719014	RROXWBBJMPCPHD-UHFFFAOYSA-N	212.161	1.825	5	40	BDBB	
O=[N+]([O-])c1c(O)ccnc1Br	35569859	PFVGRSGRDMHUOP-UHFFFAOYSA-N	218.994	1.458	5	40	BDBB	
CC(C)[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	5274101	IFIZCLBWDPSXDM-SNVBAGLBSA-N	237.259	1.517	5	40	BDBB	
COc1c(C(=O)O)csc1[N+](=O)[O-]	1037356	JTHPYVPTAPGQBC-UHFFFAOYSA-N	203.175	1.363	5	40	BDBB	
COc1ccc2c([N+](=O)[O-])c(N)oc2c1	4996359	WXJITIKBHNYKNY-UHFFFAOYSA-N	208.173	1.932	5	40	BDBB	
Cn1nc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)O	26420213	TUZIYUZNTZLAAE-UHFFFAOYSA-N	247.210	1.694	5	40	BDBB	
CSCCn1c([N+](=O)[O-])cnc1C	90999773	ZAPCKUJWFOBYGP-UHFFFAOYSA-N	201.251	1.463	5	40	BDBB	
Cc1ccccc1-n1nc(C(=O)O)c([N+](=O)[O-])n1	89263330	RZQONWILDZVCLA-UHFFFAOYSA-N	248.198	1.182	5	40	BDBB	
CC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	256055918	ZAHYLGGMPIJWNT-MRVPVSSYSA-N	237.211	1.729	5	40	BDBB	
C/C=C\C1OCC(CC)([N+](=O)[O-])CO1	16892986	PJTUIAHVKHAQKP-HYXAFXHYSA-N	201.222	1.361	5	40	BDBB	
COc1c(C(=O)O)cc([N+](=O)[O-])c(C)c1C	57339796	BUDOINGQQPMYBZ-UHFFFAOYSA-N	225.200	1.918	5	40	BDBB	
O=[N+]([O-])c1cc(F)c(O)c([N+](=O)[O-])c1	34261082	GCFZQMCJLYJALN-UHFFFAOYSA-N	202.097	1.348	5	40	BDBB	
Nc1c([N+](=O)[O-])ccnc1Br	44790266	NQYNSHRIZBTQPG-UHFFFAOYSA-N	218.010	1.335	5	40	BDBB	
Nc1nc(N2CCCC2)ccc1[N+](=O)[O-]	38878619	XGDXGAIMUDSKCG-UHFFFAOYSA-N	208.221	1.172	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1N1CCCSCC1	79932900	YJKITTVUDGXPBP-UHFFFAOYSA-N	242.304	1.272	5	40	BDBB	
NC(=O)c1cccc2c([N+](=O)[O-])cccc12	40545884	NRHAORCVLWKZRQ-UHFFFAOYSA-N	216.196	1.847	5	40	BDBB	
COc1cc(C(C)=O)c([N+](=O)[O-])cc1O	98179170	GZOJFKIFPFUTFG-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	in-vitro
O=C(O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	12395464	GFVFGZWAGKOYMQ-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	in-vitro
CCN(CC)c1ccc([N+](=O)[O-])cc1C(N)=O	22124628	AHCCDHKMSOQBKG-UHFFFAOYSA-N	237.259	1.540	5	40	BDBB	
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1	71978889	FCZWROLPEYUMCX-SECBINFHSA-N	249.270	1.029	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])cn(C(F)F)c1=O	242543359	JXYGUWGAMKUZLD-UHFFFAOYSA-N	232.142	1.354	5	40	BDBB	
COC(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	77032311	BDRRSVADGVAMQA-UHFFFAOYSA-N	209.201	1.998	5	40	BDBB	in-vitro
CN1C(=O)C/C(=C\[N+](=O)[O-])c2ccccc21	1615093	NXIYRELLIJGYRH-BQYQJAHWSA-N	218.212	1.671	5	40	BDBB	
O=C(O)CCCNc1ccccc1[N+](=O)[O-]	3888868	AXVZVHGJXZEPLP-UHFFFAOYSA-N	224.216	1.872	5	40	BDBB	in-vitro
COC[C@H](O)CNc1ccccc1[N+](=O)[O-]	71909627	GJKLHYGDIDKCEB-MRVPVSSYSA-N	226.232	1.014	5	40	BDBB	
CCc1nc2nonc2c2nc3ccccc3n12	202008	DUXKQXZUOSEJIT-UHFFFAOYSA-N	239.238	1.981	5	40	BDBB	
CN1C(=O)C[C@H](/C=C\[N+](=O)[O-])c2ccccc21	4990686	UQXYWWXFMLBCDV-NMTCXDENSA-N	232.239	1.927	5	40	BDBB	
CON(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl	37974790	DZAYSDXFHQMOSK-UHFFFAOYSA-N	244.634	1.882	5	40	BDBB	
O=C(NCc1ccccc1)c1[nH]ncc1[N+](=O)[O-]	53794	XVBPNQIDODXICI-UHFFFAOYSA-N	246.226	1.248	5	40	BDBB	
CC12C[C@]3(C)C[C@](C)(C1)C[N+](C)(C3)[C@H]2O	5445638	KQJKMIVYPMDOFN-OMXXWXSESA-N	210.341	1.981	5	40	BDBB	
Cn1c(=O)c2ccccc2c2nnc(S)nc21	217909962	XTWAUNVDOMMZNT-UHFFFAOYSA-N	244.279	1.165	5	40	BDBB	
CC(C)c1nccn1CCn1ccc([N+](=O)[O-])n1	96001651	AOMOXUJASPLPKP-UHFFFAOYSA-N	249.274	1.811	5	40	BDBB	
Cc1cnc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1	98175259	KLEHZMYECLNYKQ-UHFFFAOYSA-N	234.171	1.755	5	40	BDBB	
O=[N+]([O-])c1ccc(CCCNCCO)cc1	21985884	RGJQCMUPYAXGNG-UHFFFAOYSA-N	224.260	1.109	5	40	BDBB	
Cn1ccnc1Sc1c([N+](=O)[O-])ncn1C	13211945	GNINZGRDVINOEC-UHFFFAOYSA-N	239.260	1.213	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Nc1cccc(O)c1	4333099	JWIHOCPXHZAPKS-UHFFFAOYSA-N	234.215	1.778	5	40	BDBB	
O=C(O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	37380807	MZCREXORTQFYPP-IUCAKERBSA-N	207.185	1.783	5	40	BDBB	
CON(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	27069664	LEHYIRPYDVBOMB-BQYQJAHWSA-N	236.227	1.628	5	40	BDBB	
C[C@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	61843974	IBPKQVFIODUKFZ-LURJTMIESA-N	233.231	1.400	5	40	BDBB	
Cc1ccc([C@@H](N)P(=O)(O)O)cc1[N+](=O)[O-]	3329306	DQYCDZNZYYPHFZ-QMMMGPOBSA-N	246.159	1.038	5	40	BDBB	
C[C@H](c1nc(C2CC2)no1)n1cc([N+](=O)[O-])cn1	97048022	RSSXPFITRVJAHN-ZCFIWIBFSA-N	249.230	1.661	5	40	BDBB	
O=C(O)c1ccc2ccc(F)c([N+](=O)[O-])c2n1	85399882	OBFCXQYGCOVAFU-UHFFFAOYSA-N	236.158	1.980	5	40	BDBB	
Nc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1	31891173	BJZNYQMDYLRHPF-UHFFFAOYSA-N	204.189	1.567	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(OC[C@H]2CO2)c([N+](=O)[O-])c1	2031753	HQMLRVISGWALJZ-SSDOTTSWSA-N	240.171	1.281	5	40	BDBB	
O=[N+]([O-])c1cccnc1-n1nnc2ccccc21	8056191	WOJZGKORHYXFES-UHFFFAOYSA-N	241.210	1.724	5	40	BDBB	
Cc1nn(-c2ccccc2)c(O)c1[N+](=O)[O-]	15019319	CSZUPFBQJWAETQ-UHFFFAOYSA-N	219.200	1.795	5	40	BDBB	
NCc1nc(-c2ccc([N+](=O)[O-])cc2)no1	35533201	OEXBMWDORUEZKX-UHFFFAOYSA-N	220.188	1.104	5	40	BDBB	
CC(=O)n1c(=O)oc2cc([N+](=O)[O-])ccc21	347853	HSWDENNJSOASJE-UHFFFAOYSA-N	222.156	1.163	5	40	BDBB	
NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1	3897848	RWHXWZWPKVTAGF-UHFFFAOYSA-N	220.232	1.362	5	40	BDBB	
COCCc1noc(-c2ccc([N+](=O)[O-])cc2)n1	78774121	VZSUBNUQPIFPTF-UHFFFAOYSA-N	249.226	1.834	5	40	BDBB	
CCOC(=O)Cc1ccc([N+](=O)[O-])c(C)n1	199817376	FJJCCEGJUXGZHQ-UHFFFAOYSA-N	224.216	1.404	5	40	BDBB	
CCN(CC)c1ccc(C(N)=O)cc1[N+](=O)[O-]	22124534	KCWNCLAGYRYVRS-UHFFFAOYSA-N	237.259	1.540	5	40	BDBB	
CCCCOC(=O)Cn1c([N+](=O)[O-])cnc1C	68933271	WUEODCRKYSAISJ-UHFFFAOYSA-N	241.247	1.443	5	40	BDBB	
Cn1ccc(-c2cccc([N+](=O)[O-])c2)n1	96078	AEXWKVVHYKZHND-UHFFFAOYSA-N	203.201	1.995	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc(F)ccc1NC1CCNCC1	36301793	RJDCZRLQESETAP-UHFFFAOYSA-N	239.250	1.898	5	40	BDBB	
C[N+](C)(C)C[C@@H](O)COC1CCCCC1	1459994	FVJKOALLUKPKGW-LLVKDONJSA-N	216.345	1.403	5	40	BDBB	
C[N+](C)(C)C[C@H]1CCC[C@H](C[N+](C)(C)C)C1=O	1616995	RQVGCCGAQUDRPT-CHWSQXEVSA-N	242.407	1.384	5	40	BDBB	
O=CNc1nc(-c2ccc([N+](=O)[O-])o2)cs1	4426761	ZQBWQLJJMGJREB-UHFFFAOYSA-N	239.212	1.880	5	40	BDBB	
O=Cc1c(O)ccc([N+](=O)[O-])c1Cl	78210667	OFNDKKDWCHJDGD-UHFFFAOYSA-N	201.565	1.766	5	40	BDBB	in-vitro
Cc1cc(S(C)(=O)=O)cc([N+](=O)[O-])c1Cl	39320791	CEJFMUXSOIKLJT-UHFFFAOYSA-N	249.675	1.960	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2nnnc2Cl)cc1	34751649	BQQLYHLYHACLLJ-UHFFFAOYSA-N	225.595	1.224	5	40	BDBB	
N#CNc1nccc(-c2ccc([N+](=O)[O-])cc2)n1	72448765	QTELPIVWUVNWJH-UHFFFAOYSA-N	241.210	1.945	5	40	BDBB	
CCOC(=O)Cc1ccncc1[N+](=O)[O-]	71620976	XNSRNWVUBGIIAW-UHFFFAOYSA-N	210.189	1.095	5	40	BDBB	in-vitro
Nc1c([N+](=O)[O-])cnc(Cl)c1Cl	98175246	XNYGFUYVJFBKMC-UHFFFAOYSA-N	208.004	1.879	5	40	BDBB	
Nc1cc(N2CCCC2=O)ccc1[N+](=O)[O-]	5335242	CNOLULCPKXTHNF-UHFFFAOYSA-N	221.216	1.304	5	40	BDBB	
Cc1cccc(-c2n[nH]c(N)n2)c1[N+](=O)[O-]	19405330	BLDZYNXIMPVEAI-UHFFFAOYSA-N	219.204	1.271	5	40	BDBB	
NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	20136250	FPASADMLLORPAS-UHFFFAOYSA-N	232.195	1.954	5	40	BDBB	
Cc1noc(NCc2ccc([N+](=O)[O-])cc2)n1	97045276	JATRFBLCKHWOAM-UHFFFAOYSA-N	234.215	1.898	5	40	BDBB	
CCc1cc([N+](=O)[O-])ccc1N1CCOCC1	147975493	DNISFJPQJHWUSU-UHFFFAOYSA-N	236.271	1.994	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1CS(C)(=O)=O	96532775	BXIMZTJHZYDQCS-UHFFFAOYSA-N	229.257	1.448	5	40	BDBB	
C[C@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1	32779568	UECJKDDEQDOLCM-SSDOTTSWSA-N	239.231	1.097	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])n(C2CCCC2)n1	72209603	CPPSWGSVBBZZKJ-UHFFFAOYSA-N	226.192	1.815	5	40	BDBB	
O=[N+]([O-])c1c(Cl)c[n+]([O-])cc1Cl	14982633	MEGMWLJJEXNVOS-UHFFFAOYSA-N	208.988	1.535	5	40	BDBB	
O=C(O)c1n[nH]c(-c2ccccc2)c1[N+](=O)[O-]	575372100	SNXSQBOTZYOJCJ-UHFFFAOYSA-N	233.183	1.683	5	40	BDBB	
C[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	345373	PRMRZXDCDPVYAZ-SSDOTTSWSA-N	237.211	1.888	5	40	BDBB	
NCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1	79420733	KSZLZTOSJXOHHD-UHFFFAOYSA-N	235.287	1.518	5	40	BDBB	
CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1	73135	RGQBMVIHEOYOLU-UHFFFAOYSA-N	224.216	1.062	5	40	BDBB	
CC1(C)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	40437419	AHOKNEGNUWEELE-UHFFFAOYSA-N	249.226	1.430	5	40	BDBB	in-vitro
COC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]	85344203	SMDKYKOCWWWBJC-UHFFFAOYSA-N	229.619	1.964	5	40	BDBB	
CCc1cc([N+](=O)[O-])cc2nc(N)oc12	73641681	LRUCYPABJPDIQO-UHFFFAOYSA-N	207.189	1.881	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NC1CC1	19844607	JGGKQGRYONQCMX-UHFFFAOYSA-N	222.200	1.867	5	40	BDBB	
O=[N+]([O-])c1cccnc1Sc1cn[nH]n1	984036	UCKKWTHBJQMWJT-UHFFFAOYSA-N	223.217	1.259	5	40	BDBB	
CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	64554908	CYFIKYBALCPGIJ-UHFFFAOYSA-N	220.228	1.372	5	40	BDBB	
Nc1cc(-n2ccnc2)ccc1[N+](=O)[O-]	34076623	CVGWDTJIPMBOKL-UHFFFAOYSA-N	204.189	1.363	5	40	BDBB	
CN(C)c1ccc(-n2cnnc2)cc1[N+](=O)[O-]	70461794	TTZMQCPTYMUEBC-UHFFFAOYSA-N	233.231	1.242	5	40	BDBB	
CC(C)(C)C(=O)Cn1cc([N+](=O)[O-])cn1	55359020	CDNGSHSJKDSFOC-UHFFFAOYSA-N	211.221	1.407	5	40	BDBB	
COC(=O)c1ccc2cc([N+](=O)[O-])ccc2n1	26438533	CUJMOCFFAPUMHI-UHFFFAOYSA-N	232.195	1.930	5	40	BDBB	
C[C@H](N)c1n[nH]c(-c2cc([N+](=O)[O-])ccc2O)n1	95534678	UXGXQBLEVNVSHC-YFKPBYRVSA-N	249.230	1.105	5	40	BDBB	
CCOC(=O)[C@@H](N)Cc1cccc([N+](=O)[O-])c1	69553647	QKOPPMGWVZNVOI-JTQLQIEISA-N	238.243	1.028	5	40	BDBB	
Cc1nc([N+](=O)[O-])c(Br)n1C	13283515	DDNLLYFCHCFJAZ-UHFFFAOYSA-N	220.026	1.399	5	40	BDBB	in-vitro
CN(Cc1cnn(C)c1)c1ccccc1[N+](=O)[O-]	24585700	VBDXCRGGBVCMEG-UHFFFAOYSA-N	246.270	1.965	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(C(C)=O)c1O	1678781	YXAQTQBNKODJMX-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	
COc1ccc([C@@H]2NCCC[C@H]2[N+](=O)[O-])cc1	57467361	ONURMEJKMUZZPO-NEPJUHHUSA-N	236.271	1.765	5	40	BDBB	
Nc1nc(NCc2ccco2)ncc1[N+](=O)[O-]	56908475	OJKCBHPAQCREMJ-UHFFFAOYSA-N	235.203	1.172	5	40	BDBB	
Cn1nccc1-c1cc([N+](=O)[O-])ccc1O	34264745	PMBCBBGCIBJPHV-UHFFFAOYSA-N	219.200	1.701	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2nnc(O)[nH]2)c1	1647263	GWBITECELKZDFX-UHFFFAOYSA-N	206.161	1.086	5	40	BDBB	
C[N+](C)(C)CCC(=O)c1ccc([N+](=O)[O-])cc1	1571720	GPXWUBXWZSMCPR-UHFFFAOYSA-N	237.279	1.874	5	40	BDBB	
O=[N+]([O-])c1ccc([C@@H]2OC[C@@H](CO)O2)cc1	3074153	IMPGLXDVAYTZLH-NXEZZACHSA-N	225.200	1.001	5	40	BDBB	
N[C@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1	50244279	ZNBDCZKQDHZEMH-ZETCQYMHSA-N	225.223	1.271	5	40	BDBB	
COc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1	72334145	ZCYRQIXXDXJZQM-UHFFFAOYSA-N	249.226	1.836	5	40	BDBB	
CCCNC(=S)Nc1ccc([N+](=O)[O-])cn1	13838258	HIGUGKNTUDCDMM-UHFFFAOYSA-N	240.288	1.686	5	40	BDBB	
CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20454670	ZPZFFNDEURQWMO-UHFFFAOYSA-N	244.272	1.034	5	40	BDBB	
CCCNC(=O)n1cnc2cc([N+](=O)[O-])ccc21	1565796	LHQLKBCQTHPHAY-UHFFFAOYSA-N	248.242	1.912	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2cc(O)on2)cc1	5513465	VSQLGOVKEKRCAP-UHFFFAOYSA-N	206.157	1.955	5	40	BDBB	
O=[N+]([O-])c1cnn(CSc2ccccn2)c1	16971860	VKDPHXWWTVJIED-UHFFFAOYSA-N	236.256	1.936	5	40	BDBB	
O=c1ncc([N+](=O)[O-])c(/C=C/c2ccco2)[nH]1	5531045	DWDALZDCUANPJZ-ONEGZZNKSA-N	233.183	1.442	5	40	BDBB	
C[N+]1(C[C@@H](O)c2ccccc2)CCCC1	1597633	MBHJRPZVQHLMOL-CYBMUJFWSA-N	206.309	1.960	5	40	BDBB	
C[N+](C)(C)CCS(=O)(=O)Cc1ccccc1	1722034	RUFNDGAPTFKUQO-UHFFFAOYSA-N	242.364	1.308	5	40	BDBB	
Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	32931973	JPZQCAVWBQZOSO-NXEZZACHSA-N	220.228	1.599	5	40	BDBB	
Nn1cnnc1Sc1ccc([N+](=O)[O-])cc1	70462262	BHOUJTYYBQZKMR-UHFFFAOYSA-N	237.244	1.051	5	40	BDBB	
CCOc1cc(F)c([N+](=O)[O-])cc1N	694945932	FWTPYXROUXJRBF-UHFFFAOYSA-N	200.169	1.715	5	40	BDBB	
CC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc12	5631898	FKLRXXUPAZZVPP-UHFFFAOYSA-N	220.188	1.430	5	40	BDBB	
Cc1c(-c2cc(=N)[nH][nH]2)cccc1[N+](=O)[O-]	1857794020	VWAAXHLVBQHNTO-UHFFFAOYSA-N	218.216	1.706	5	40	BDBB	
C[N+]1(C[C@@H]2Cc3ccccc3O2)CCOCC1	306516	NHSXTGIOWQDYHM-ZDUSSCGKSA-N	234.319	1.467	5	40	BDBB	
NC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	20494673	COCFOKCXFWFLQP-UHFFFAOYSA-N	249.270	1.158	5	40	BDBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCCC1	5717208	USTDXSQKGCZDSZ-UHFFFAOYSA-N	234.255	1.760	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1N1CCNCC1	37418900	CBGNOUSLRMOZOU-UHFFFAOYSA-N	225.223	1.144	5	40	BDBB	
COCOCCCNc1ncccc1[N+](=O)[O-]	521398400	DKJLZTCBOQVVKZ-UHFFFAOYSA-N	241.247	1.412	5	40	BDBB	
CN1C(=O)N/C(=C/c2ccccc2[N+](=O)[O-])C1=O	221397349	AKBARFZLFJFSCY-SOFGYWHQSA-N	247.210	1.117	5	40	BDBB	
O=c1c([N+](=O)[O-])cc2c(n1C(F)F)CCC2	252506285	VYLZPVKXNDDNLX-UHFFFAOYSA-N	230.170	1.640	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(F)c1	61707447	QENGWXHQBHRUCG-MRVPVSSYSA-N	226.207	1.305	5	40	BDBB	in-vitro
Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4625037	PRUMMFPRJSEJJL-UHFFFAOYSA-N	223.232	1.014	5	40	BDBB	in-vitro
CC(=O)CC(=O)c1cccc([N+](=O)[O-])c1	100084115	LENGHKYAWBMFDH-UHFFFAOYSA-N	207.185	1.757	5	40	BDBB	in-vitro
CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	21813952	MRSBQUAHWHBPAT-UHFFFAOYSA-N	244.272	1.120	5	40	BDBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCCO1	97083460	WURHAJAANQWTMW-UHFFFAOYSA-N	222.200	1.372	5	40	BDBB	
Nc1n[nH]c2ccc([N+](=O)[O-])c(Cl)c12	225972003	LSTDQNBJMGTWTB-UHFFFAOYSA-N	212.596	1.707	5	40	BDBB	
O=C(NC1CCNCC1)c1ccccc1[N+](=O)[O-]	37116539	XEBINLICEOACOT-UHFFFAOYSA-N	249.270	1.077	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1C1OCCO1	40545032	RSMFKLWHDQJKBB-UHFFFAOYSA-N	225.200	1.649	5	40	BDBB	
CC(C)(O)CNc1ccc([N+](=O)[O-])cn1	58433841	OULRDFIQASWVON-UHFFFAOYSA-N	211.221	1.173	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])s1)N1CCOCC1	3625776	RKBSEAKDMUAGLJ-UHFFFAOYSA-N	242.256	1.129	5	40	BDBB	
CCOc1c(Cl)cc(C(N)=O)cc1[N+](=O)[O-]	216942811	KKIGRQXDFLUOTA-UHFFFAOYSA-N	244.634	1.746	5	40	BDBB	
NCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1	79420730	PWCIOPHZCOOTKA-UHFFFAOYSA-N	235.287	1.518	5	40	BDBB	
COC(=O)[C@H]1CC(=O)c2cc([N+](=O)[O-])ccc21	196482127	CGNIUSOFHAVXFC-VIFPVBQESA-N	235.195	1.438	5	40	BDBB	
CC(=O)N(C[C@H](C)N)c1cccc([N+](=O)[O-])c1	225753577	BQYPJWMLEKYQAW-QMMMGPOBSA-N	237.259	1.295	5	40	BDBB	
CS(=O)(=O)Oc1ccc([N+](=O)[O-])c(F)c1	94992617	UXPALWRYCGGBIV-UHFFFAOYSA-N	235.192	1.072	5	40	BDBB	
COC(=O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	6658077	SVYATAVBYMWSBG-UHFFFAOYSA-N	248.194	1.432	5	40	BDBB	
CC1(C)C(=O)NC(=O)c2cc([N+](=O)[O-])ccc21	34542817	IJRTYXJAHMLEJN-UHFFFAOYSA-N	234.211	1.142	5	40	BDBB	
CCOC(=O)c1c([N+](=O)[O-])cnn1C(C)C	72339694	ODCFGBRLESQRCN-UHFFFAOYSA-N	227.220	1.549	5	40	BDBB	
O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)nc1	100173932	ICDYSSUMCHRNRJ-WAAGHKOSSA-N	237.259	1.705	5	40	BDBB	
O=c1ccc2c([N+](=O)[O-])ccc(F)c2[nH]1	85399990	PGWZFFKFMCCUJH-UHFFFAOYSA-N	208.148	1.575	5	40	BDBB	
Cn1nccc1COc1ccccc1[N+](=O)[O-]	72209503	MHEUGOJSSIBLKI-UHFFFAOYSA-N	233.227	1.907	5	40	BDBB	
COC(=O)c1ccc([N+](=O)[O-])c(NC2CC2)c1	136292016	XGALTINTRDIPHE-UHFFFAOYSA-N	236.227	1.956	5	40	BDBB	
Cc1cc(N2CC[C@H](O)C2)ccc1[N+](=O)[O-]	61707468	RGKVWXSNVLVFHF-JTQLQIEISA-N	222.244	1.474	5	40	BDBB	
O=C(NC1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc12	32765441	XEMIIEUPJOYCAI-UHFFFAOYSA-N	246.226	1.363	5	40	BDBB	
CCN(CC(=O)O)Cc1cccc([N+](=O)[O-])c1	38017803	FGMQHFMWKHOJQR-UHFFFAOYSA-N	238.243	1.501	5	40	BDBB	
CN(C)CCCOc1ncccc1[N+](=O)[O-]	61997475	ITZAFWVPEZRGCV-UHFFFAOYSA-N	225.248	1.320	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1cc(O)on1	80496423	VOZDFDLNIJTPCI-UHFFFAOYSA-N	206.157	1.955	5	40	BDBB	
COC(=O)COc1ccc(C)cc1[N+](=O)[O-]	37406649	IGGMQDWLKIVRDB-UHFFFAOYSA-N	225.200	1.455	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]ncc2c1	4170724	MGXWPPPGZMFBAO-UHFFFAOYSA-N	208.133	1.379	5	40	BDBB	
COCCNc1ccc(F)cc1[N+](=O)[O-]	67800466	NRHIYXSNFCIUNU-UHFFFAOYSA-N	214.196	1.792	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])c2nccnc2c1	217718289	MQZRJGRLRQLUFD-UHFFFAOYSA-N	219.156	1.236	5	40	BDBB	
COc1ccc([N+](=O)[O-])c2c(=O)ccoc12	381751	YHGDIDQOTGVGOU-UHFFFAOYSA-N	221.168	1.710	5	40	BDBB	
Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	39075594	LHUVKANNSWTRJI-UHFFFAOYSA-N	207.111	1.591	5	40	BDBB	in-vitro
Cc1c(-c2nnco2)cccc1[N+](=O)[O-]	22996599	ZWFREHLVKAPOJL-UHFFFAOYSA-N	205.173	1.953	5	40	BDBB	
O=C1CCC[C@H]1[C@@H](C[N+](=O)[O-])C(F)(F)F	43464387	SIEJXCPEXVPLAQ-NTSWFWBYSA-N	225.166	1.811	5	40	BDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CC[C@@H]2C1	1694706	RIEUJROYQIQIKK-CHWSQXEVSA-N	212.381	1.569	5	40	BDBB	
Cc1c([N+](=O)[O-])ccc(F)c1[N+](=O)[O-]	34155812	IOHLNVVIFNALMI-UHFFFAOYSA-N	200.125	1.951	5	40	BDBB	
COc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	44699950	IHOSJLCXSPIPHV-UHFFFAOYSA-N	212.161	1.820	5	40	BDBB	in-vitro
Cc1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1	16698020	NCNUUSLPQHSVSO-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	
Nc1ncc(-c2ccc([N+](=O)[O-])cc2)o1	39320388	YXWXKYJNPMIZGH-UHFFFAOYSA-N	205.173	1.832	5	40	BDBB	
O=[N+]([O-])c1ccn(CCOc2ccccc2)n1	67799570	RRRMZCCQUFINNB-UHFFFAOYSA-N	233.227	1.870	5	40	BDBB	
O=C(O)CCn1ncc([N+](=O)[O-])c1C(F)F	408717241	XHJXLCORHRHZMY-UHFFFAOYSA-N	235.146	1.204	5	40	BDBB	
CN1C[C@@H](C(=O)O)Cc2cc([N+](=O)[O-])ccc21	9060927	JNZPILYOQKTPQL-QMMMGPOBSA-N	236.227	1.288	5	40	BDBB	
CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cn1	75094633	WUFVQDFUVXHJLB-SECBINFHSA-N	237.259	1.463	5	40	BDBB	
CSCc1ccc(C(N)=O)cc1[N+](=O)[O-]	47895757	FZFJSCIKGVHEDR-UHFFFAOYSA-N	226.257	1.557	5	40	BDBB	
CC(=O)OCC1(C[N+](C)(C)C)CCCC1	5064879	SVNDSVYWLSWGCL-UHFFFAOYSA-N	214.329	1.816	5	40	BDBB	
C[C@H](COC(=O)c1ccccc1)[N+](=O)[O-]	2042253	KSAIPBINPVHIPW-MRVPVSSYSA-N	209.201	1.509	5	40	BDBB	
CCN(CCN)Cc1ccc([N+](=O)[O-])cc1	79420698	JIVGCGHWGUAZIT-UHFFFAOYSA-N	223.276	1.375	5	40	BDBB	
N=C(N)c1cc([N+](=O)[O-])ccc1C(F)(F)F	199556059	MNNCHCBHSNOKDE-UHFFFAOYSA-N	233.149	1.898	5	40	BDBB	
CN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	288750	MNVUBOXXFMXSLP-UHFFFAOYSA-N	228.635	1.950	5	40	BDBB	
O=c1o[nH]c2c1cnc1ccc([N+](=O)[O-])cc12	100889159	OQQDFIFFKWBQFJ-UHFFFAOYSA-N	231.167	1.578	5	40	BDBB	
COC(=O)COc1ccc([N+](=O)[O-])c(F)c1	43472677	JUJHJOYZQVZRSW-UHFFFAOYSA-N	229.163	1.286	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccc(-c2noc(O)n2)c1	37926748	COXDLQHDPALXMA-UHFFFAOYSA-N	207.145	1.350	5	40	BDBB	in-vitro
CCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1	16183260	OHHAUCNQFSSVFY-UHFFFAOYSA-N	224.216	1.744	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1OC1COC1	71791969	SDPFKSZEFUANDI-UHFFFAOYSA-N	213.164	1.512	5	40	BDBB	
O=C(O)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	20594122	IROSEBFOFFTHIM-SECBINFHSA-N	236.183	1.172	5	40	BDBB	
CC(=O)c1cc(Cl)ncc1[N+](=O)[O-]	95764027	JTDNETFVCNGPOP-UHFFFAOYSA-N	200.581	1.846	5	40	BDBB	
CC[C@@H](C)NCc1cc([N+](=O)[O-])nn1C	408717255	XNDAFXCNRVJBNG-SSDOTTSWSA-N	212.253	1.216	5	40	BDBB	
Nc1cnccc1C(=O)c1ccccc1[N+](=O)[O-]	199711646	LUGZMNVPWVMBEV-UHFFFAOYSA-N	243.222	1.803	5	40	BDBB	
C[N+]1(CC[N+]2(C)CCOCC2)CCCCC1	1646427	NTJSNPAWZVQTTA-UHFFFAOYSA-N	228.380	1.094	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1F	34624653	ONWYSHWKVSVXQQ-UHFFFAOYSA-N	244.134	1.429	5	40	BDBB	
O=[N+]([O-])c1cccc(OCC2CCNCC2)c1	14631507	LLXBDOWFCKLGEX-UHFFFAOYSA-N	236.271	1.973	5	40	BDBB	
COc1ccccc1-c1n[nH]cc1[N+](=O)[O-]	96527464	IQHOMIKYPXBIQF-UHFFFAOYSA-N	219.200	1.994	5	40	BDBB	
C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C=O	4143808	BYARTMJTIRRZNS-ZETCQYMHSA-N	249.226	1.288	5	40	BDBB	
C[N+]1(C)CCC[C@@](O)(C(=O)c2ccccc2)C1	1563467	SGSHQDHMCOLJDQ-AWEZNQCLSA-N	234.319	1.471	5	40	BDBB	
Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1C	252479478	BGBJTNZBVREELK-UHFFFAOYSA-N	202.597	1.255	5	40	BDBB	
CN(C)CC[C@H](O)c1ccc([N+](=O)[O-])cc1	1602615	OLLHTTSCHCHUGQ-NSHDSACASA-N	224.260	1.580	5	40	BDBB	
O=[N+]([O-])c1ccc(O)nc1Br	67175946	RCFCOAZLLFZYKI-UHFFFAOYSA-N	218.994	1.458	5	40	BDBB	
Cc1ccc2oc(=O)c([N+](=O)[O-])c(O)c2c1	58057	KUALEWXMXRPRRL-UHFFFAOYSA-N	221.168	1.715	5	40	BDBB	biogenic,in-vitro
C[N+]1(C)CCO[C@](O)(c2ccc(F)cc2)C1	162680	LPMKRPCHDMXLAH-LBPRGKRZSA-N	226.271	1.077	5	40	BDBB	
Cc1nnc2nc3[nH]c4ccccc4c3nn12	6557139	ZMLYCNFMNLILCO-UHFFFAOYSA-N	224.227	1.462	5	40	BDBB	
C[C@@H](C(=O)O)c1ccc(N)c([N+](=O)[O-])c1	72207313	BKSYOYRLJJVUAN-RXMQYKEDSA-N	210.189	1.365	5	40	BDBB	
COc1cc(OC)c(/C=C/[N+](=O)[O-])c(OC)c1	2244108	URHPFHDNYKOMAI-SNAWJCMRSA-N	239.227	1.960	5	40	BDBB	
COc1cc(F)c([N+](=O)[O-])cc1OC	32234961	BUMDYIAERBGUID-UHFFFAOYSA-N	201.153	1.751	5	40	BDBB	in-vitro
CCCCNC(=O)Cn1cc([N+](=O)[O-])nc1C	65711979	ANBRTYNDZBOMSZ-UHFFFAOYSA-N	240.263	1.016	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCNC1	42775676	MHTLBDONZKAGML-QMMMGPOBSA-N	242.662	1.989	5	40	BDBB	
CC(C)(C)C(=O)Nc1cccnc1[N+](=O)[O-]	98175285	GCSPJMFMJJXBIE-UHFFFAOYSA-N	223.232	1.974	5	40	BDBB	
CCn1nc(C)c([N+](=O)[O-])c1-n1ccnc1	91555856	HNQNIOFHUWIPHO-UHFFFAOYSA-N	221.220	1.305	5	40	BDBB	
COC(=O)/C=C\c1ccccc1[N+](=O)[O-]	16892104	VKKNUVQQEHKTCG-SREVYHEPSA-N	207.185	1.781	5	40	BDBB	
CCc1nc([N+](=O)[O-])c(Br)[nH]1	31775877	ZVIJYFFMEHGGES-UHFFFAOYSA-N	220.026	1.643	5	40	BDBB	in-vitro
CC(=O)O[C@H]1C[C@H](n2cnc([N+](=O)[O-])c2)C1	101003758	YCDQAVAXJSNPIC-OCAPTIKFSA-N	225.204	1.058	5	40	BDBB	
O=C(O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1	14679720	RKUGUORNGRELOH-JTQLQIEISA-N	236.227	1.648	5	40	BDBB	
O=C(O)C[C@H]1CC(=O)c2cccc([N+](=O)[O-])c21	96345821	QQTGIEBIXVFMSZ-ZCFIWIBFSA-N	235.195	1.740	5	40	BDBB	
COC[n+]1cccc([C@H]2CCC[N+]2(C)C)c1	5385417	YJCUCEDVPHWWMV-CYBMUJFWSA-N	222.332	1.489	5	40	BDBB	
Cc1nc(C)n(C(=O)c2cccc([N+](=O)[O-])c2)n1	614495	GFDFPAZTDPJSDV-UHFFFAOYSA-N	246.226	1.492	5	40	BDBB	
O=C(Nc1ccccc1[N+](=O)[O-])[C@H]1CCCO1	5679767	YQUUJHRDDQKBAI-SNVBAGLBSA-N	236.227	1.712	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)ccc1-n1cnnc1	70461693	OQETXSJNOPDJKA-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
O=Cc1c(O)ccc(Cl)c1[N+](=O)[O-]	95935330	JUHUQAKTDQZINI-UHFFFAOYSA-N	201.565	1.766	5	40	BDBB	
CC(=O)Nc1c([N+](=O)[O-])cc(F)c(F)c1F	4280542	ANGFIVJDHLSXMW-UHFFFAOYSA-N	234.133	1.971	5	40	BDBB	
Cn1c(=O)c2c(=O)cc(O)oc2c2ccccc21	100516943	RKUYXLYLHKPBBS-UHFFFAOYSA-N	243.218	1.351	5	40	BDBB	
C[N+]1(Cc2ccccc2)CCC[C@H](O)C1	1585520	WOIPXYNVHSQOQT-LSLKUGRBSA-N	206.309	1.788	5	40	BDBB	
CCNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1	7529976	MDKKWUPISMLHMD-UHFFFAOYSA-N	240.288	1.483	5	40	BDBB	
COc1cc(C)c([N+](=O)[O-])c(C)c1C(N)=O	57339635	AAHVCNJLVLMVRL-UHFFFAOYSA-N	224.216	1.319	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NC(C1CC1)C1CC1	42237823	OWZGHKPDNPELLE-UHFFFAOYSA-N	236.275	1.929	5	40	BDBB	
CC[C@H]1ON=C(c2ccccc2)[C@@H]1[N+](=O)[O-]	4016979	RHJVAXCZJRZNJS-MWLCHTKSSA-N	220.228	1.845	5	40	BDBB	
CCC(O)(CC)CNc1c([N+](=O)[O-])ncn1C	49491033	JCSOXWIOZYAJOX-UHFFFAOYSA-N	242.279	1.291	5	40	BDBB	
CCC(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21	73642294	NUJJJUIBQMORAU-UHFFFAOYSA-N	247.254	1.770	5	40	BDBB	
Cn1cnnc1Sc1ccc([N+](=O)[O-])cn1	120694	OGUHHONZCODPHH-UHFFFAOYSA-N	237.244	1.270	5	40	BDBB	
CCC(=O)Nc1ncc([N+](=O)[O-])s1	4156687	JKXJETCCPVNCSS-UHFFFAOYSA-N	201.207	1.400	5	40	BDBB	
CCNC(=O)COc1cccc([N+](=O)[O-])c1	10797806	RLCBTZHNMYBRLY-UHFFFAOYSA-N	224.216	1.110	5	40	BDBB	
CN1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2)C1=O	75053434	GQDFIJVRICMVOT-NSHDSACASA-N	249.270	1.262	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])c(F)c(F)c1F	521399266	XNGHOTIOBPMWOL-UHFFFAOYSA-N	205.091	1.825	5	40	BDBB	in-vitro
CC(C)N(CCN)Cc1cccc([N+](=O)[O-])c1	79420715	RKGOTUNTPJCCJK-UHFFFAOYSA-N	237.303	1.764	5	40	BDBB	
O=[N+]([O-])C1=Cc2ccccc2S(=O)(=O)CC1	1595536	NGLSLFNQPLMPLL-UHFFFAOYSA-N	239.252	1.482	5	40	BDBB	
CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	5510461	JJSPBSPCBXCZOT-UHFFFAOYSA-N	214.608	1.608	5	40	BDBB	
CN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	2734947	VMRZZKXLAMYQRU-BQYQJAHWSA-N	220.228	1.696	5	40	BDBB	
O=C1CC(C2CC2)=NN1c1ccc([N+](=O)[O-])cn1	521399812	SUCDGRBIWXWDNE-UHFFFAOYSA-N	246.226	1.493	5	40	BDBB	
C[C@@H](NC(N)=O)c1ccccc1[N+](=O)[O-]	71617982	RPTYLMDRHRHLFE-ZCFIWIBFSA-N	209.205	1.324	5	40	BDBB	
Cc1cc([N+](=O)[O-])nn1CSCCC(=O)O	12394735	BBCCFQQKNWKMNP-UHFFFAOYSA-N	245.260	1.265	5	40	BDBB	
CN(C)c1ccc([N+](=O)[O-])c2nonc12	4006781	JKWNQFKDTSTWGL-UHFFFAOYSA-N	208.177	1.197	5	40	BDBB	
[O-][n+]1c2ccccc2[n+]([O-])c2ccccc21	4159277	ZMFJCQAPRNRDSK-UHFFFAOYSA-N	212.208	1.260	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2ncnc3sccc23)c1	72310929	DALCAZMIJYRCHK-UHFFFAOYSA-N	247.239	1.785	5	40	BDBB	
Cc1cc2cc([N+](=O)[O-])ccc2[nH]c1=O	98095331	ZHXVVXCIXJSYTL-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	in-vitro
COc1nc(Cl)nc(OC)c1[N+](=O)[O-]	34597633	FETZNGVNMWWJPO-UHFFFAOYSA-N	219.584	1.055	5	40	BDBB	
Cc1csc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])n1	47239779	MEGRFEMDMIRMFS-NTSWFWBYSA-N	227.245	1.055	5	40	BDBB	
CC(=O)Oc1c(C)ccc(C(=O)O)c1[N+](=O)[O-]	32436	WGCAFMYAZVDTPJ-UHFFFAOYSA-N	239.183	1.527	5	40	BDBB	
O=Cc1cc2c([N+](=O)[O-])cccc2cn1	95882089	ZFTZVNUNAMKSCV-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	in-vitro
O=C(NC1CC1)c1csc([N+](=O)[O-])c1	42567027	VMCYRXXBBFHWCE-UHFFFAOYSA-N	212.230	1.549	5	40	BDBB	
O=[N+]([O-])c1cccnc1N[C@H]1CC[C@H](O)CC1	100173928	HENWAIVDBVYMHS-DTORHVGOSA-N	237.259	1.705	5	40	BDBB	
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1	9028535	IGRBJPKAWMALAS-UHFFFAOYSA-N	249.222	1.959	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(C(=O)n2cc(C)cn2)n1	2778962	HIUFUYYSTSUCKB-UHFFFAOYSA-N	249.230	1.005	5	40	BDBB	
COCCNc1c(F)cccc1[N+](=O)[O-]	67800474	VXLOQVGXFJJUDZ-UHFFFAOYSA-N	214.196	1.792	5	40	BDBB	
CCOc1c(C(=O)O)cc(OC)cc1[N+](=O)[O-]	225280857	FXCQGUHUOCNUPN-UHFFFAOYSA-N	241.199	1.700	5	40	BDBB	
COc1c([N+](=O)[O-])cc(C=O)cc1[N+](=O)[O-]	41120863	DYWSJJHARHAYDC-UHFFFAOYSA-N	226.144	1.324	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc(S)o2)cc1	160540	ABSVCMBOXHMZPV-UHFFFAOYSA-N	223.213	1.934	5	40	BDBB	
NCCS[C@H](O)c1ccc([N+](=O)[O-])cc1	3040750	BETQUCVLOBNDLR-VIFPVBQESA-N	228.273	1.278	5	40	BDBB	
COC(=O)c1nc2ccc([N+](=O)[O-])cc2o1	226240896	XYDALYUIZQLICW-UHFFFAOYSA-N	222.156	1.523	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CC[C@@H](CCO)C1	78364980	UHSOUBRWBZJALD-JTQLQIEISA-N	236.271	1.804	5	40	BDBB	
CNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-]	20897911	WKJSLLHADVBRCC-UHFFFAOYSA-N	234.215	1.995	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(C(=O)O)c1O	44199020	CXVCEBNPFLHILW-UHFFFAOYSA-N	213.145	1.007	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Sc1ncc[nH]1	13211943	YAKMTMNKZORXIL-UHFFFAOYSA-N	225.233	1.203	5	40	BDBB	
CC(=O)Nc1ccc(NC=O)cc1[N+](=O)[O-]	68675214	OSCDPMFTCHLFOY-UHFFFAOYSA-N	223.188	1.122	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1-n1cnnc1	70461684	YXTKASWENWHBIK-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
COCOc1cc(OC)ccc1[N+](=O)[O-]	16194410	ZITBPAKRNLWXFW-UHFFFAOYSA-N	213.189	1.586	5	40	BDBB	
NC(=O)c1ccc2cc([N+](=O)[O-])ccc2n1	62572277	USXXEMHFHDQVOK-UHFFFAOYSA-N	217.184	1.242	5	40	BDBB	
CC(=O)NCCc1ccccc1[N+](=O)[O-]	3845793	FXICGLCVHAFUHR-UHFFFAOYSA-N	208.217	1.273	5	40	BDBB	biogenic
O=[N+]([O-])c1cc(Cl)ccc1-c1nnn[nH]1	90484781	NDXREIWWHIYEAU-UHFFFAOYSA-N	225.595	1.428	5	40	BDBB	
COC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1	4127880	LOLJRBYFAVSFOA-UHFFFAOYSA-N	238.199	1.340	5	40	BDBB	
O=c1nc(NC2CCCC2)c([N+](=O)[O-])c[nH]1	72220780	ZMPRSRSDQQBRBN-UHFFFAOYSA-N	224.220	1.033	5	40	BDBB	
COc1cc([N+](=O)[O-])c(C(C)=O)cc1N	96316061	VAZOOIQGBJGEND-UHFFFAOYSA-N	210.189	1.388	5	40	BDBB	
O=C1N[C](Cc2ccc([N+](=O)[O-])cc2)CO1	1560407716	ZMKHMGGUXIMJLK-UHFFFAOYSA-N	221.192	1.409	5	40	BDBB	
CC[C@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O	20397435	PHXBFTNCOJGKQH-MRVPVSSYSA-N	222.200	1.704	5	40	BDBB	
CNc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-]	12740261	KYJSYOWZCPAHDB-UHFFFAOYSA-N	249.270	1.873	5	40	BDBB	
COC[C@@H](N)Cc1ccc([N+](=O)[O-])cc1	63026381	XJEUXIUXTYQFJS-VIFPVBQESA-N	210.233	1.111	5	40	BDBB	
Cc1ccc(N2CCCNCC2)c([N+](=O)[O-])c1	37400979	VWXSMGZQRFRWML-UHFFFAOYSA-N	235.287	1.703	5	40	BDBB	
CN(C)CC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	6051379	VJGPZSDDJNMKCV-UHFFFAOYSA-N	241.222	1.234	5	40	BDBB	
NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	3436471	QZHAYLDKLKFLAM-UHFFFAOYSA-N	232.195	1.954	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1O[C@H]1CCNC1	51867985	KYSPINNKNBIHMC-QMMMGPOBSA-N	226.207	1.475	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1-n1cccn1	12398034	GPLAVCBFQLLNDD-UHFFFAOYSA-N	207.164	1.920	5	40	BDBB	
CCn1cc(Br)c([N+](=O)[O-])n1	12396669	UGZFGPGKZIRMGM-UHFFFAOYSA-N	220.026	1.574	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Oc1cccc(O)c1	5322939	QZGUUQDJYIHSRC-UHFFFAOYSA-N	235.199	1.826	5	40	BDBB	
CCc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	95851614	VDKWJWFQFPWXFC-UHFFFAOYSA-N	241.159	1.974	5	40	BDBB	
O=[N+]([O-])c1ccc(CO[C@@H]2CCNC2)cc1	14632071	MZXUTWOZVOZHLZ-LLVKDONJSA-N	222.244	1.473	5	40	BDBB	
N=C(N)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	225403708	BYDJPFCJBWIONA-UHFFFAOYSA-N	234.259	1.479	5	40	BDBB	
Nc1cc(-c2cc(F)cc([N+](=O)[O-])c2)no1	165529116	VMJQSGPVMYRLGT-UHFFFAOYSA-N	223.163	1.971	5	40	BDBB	
COc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-]	834232	CFUDUOQRESFDQN-UHFFFAOYSA-N	238.243	1.742	5	40	BDBB	
O=C(O)CCCNCc1cccc([N+](=O)[O-])c1	35415425	BWNZCYNSDGUJLD-UHFFFAOYSA-N	238.243	1.549	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1NC(N)=O	75943002	UUFYJAGPRWSOOL-UHFFFAOYSA-N	211.177	1.094	5	40	BDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C	49932401	YSZKYLHCGBWTID-UHFFFAOYSA-N	223.232	1.338	5	40	BDBB	
Cc1cccc(-n2nc(C(=O)O)c([N+](=O)[O-])n2)c1	89263336	OTRMNAZCJXBKHN-UHFFFAOYSA-N	248.198	1.182	5	40	BDBB	
CC(C)Cn1cc([N+](=O)[O-])c(C(=O)O)n1	229734832	TWEZDWMPIMRZEM-UHFFFAOYSA-N	213.193	1.146	5	40	BDBB	
O=C(O)Cc1cc2cccc([N+](=O)[O-])c2[nH]1	1719410	AIPWBPGFHUFDMH-UHFFFAOYSA-N	220.184	1.703	5	40	BDBB	
O=C(O)CCCOc1cccc([N+](=O)[O-])c1	2812318	MBGXVUBSVCRYES-UHFFFAOYSA-N	225.200	1.838	5	40	BDBB	
O=[N+]([O-])C[C@@](O)(c1ccccc1)C(F)(F)F	96034458	CEYAQLFOMNYIRE-MRVPVSSYSA-N	235.161	1.713	5	40	BDBB	
COC(=O)c1ccn2cc([N+](=O)[O-])cc2c1O	217656007	NEOZJHPIDRTZJM-UHFFFAOYSA-N	236.183	1.340	5	40	BDBB	
Cc1cccc(-c2n[nH]c([N+](=O)[O-])n2)c1	18209328	QPAOJIZRQOYLIW-UHFFFAOYSA-N	204.189	1.688	5	40	BDBB	
O=C1C[C@H]2c3ccccc3[C@@H](C1)C2[N+](=O)[O-]	68603869	LMZWVGBFRUORCV-FOSCPWQOSA-N	217.224	1.876	5	40	BDBB	
O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1	32190882	ZCDGWKOHOOUVSP-SECBINFHSA-N	224.241	1.456	5	40	BDBB	
CC[C@H](N)COc1ccc([N+](=O)[O-])cc1	89261756	GWZZUAARCQZHDX-QMMMGPOBSA-N	210.233	1.711	5	40	BDBB	
CCOC(=O)c1cc([N+](=O)[O-])nn1CC(F)F	85432373	IKMCQPUBCWEKPU-UHFFFAOYSA-N	249.173	1.233	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCCC2)c2nonc12	4093877	KVFXCHFZIJJFCA-UHFFFAOYSA-N	234.215	1.731	5	40	BDBB	
CCS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	2562578	SGMLLKMQYTWRJX-UHFFFAOYSA-N	231.229	1.094	5	40	BDBB	
CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	57294247	DFAJJIGUSYIDFZ-UHFFFAOYSA-N	230.607	1.313	5	40	BDBB	
O=c1c2cc([N+](=O)[O-])ccc2sc2nncn12	551371	YZDIZBKTSWOONB-UHFFFAOYSA-N	248.223	1.212	5	40	BDBB	
O=[N+]([O-])c1cnc(N2CCC2)nc1NC1CC1	26701010	FEHDQJSKINPHOP-UHFFFAOYSA-N	235.247	1.169	5	40	BDBB	
O=C1Nc2c(Cl)cc([N+](=O)[O-])cc2C1=O	19268889	OWORJQGXJBTLLK-UHFFFAOYSA-N	226.575	1.383	5	40	BDBB	
NCCCc1c[nH]c2ccc([N+](=O)[O-])cc12	1792691	MVCYDPCROLEWGX-UHFFFAOYSA-N	219.244	1.967	5	40	BDBB	biogenic
NNCc1cccc2nc3ccccc3nc12	85390747	VTWLUCCLTRRQDV-UHFFFAOYSA-N	224.267	1.746	5	40	BDBB	
O=[N+]([O-])c1cccnc1SC[C@H]1CCNC1	91365522	KDIMQNKHLNDUIM-QMMMGPOBSA-N	239.300	1.691	5	40	BDBB	
CC(=O)N1CCc2cc([N+](=O)[O-])ccc2C1	34521062	SSDCKHDYPOBYCU-UHFFFAOYSA-N	220.228	1.499	5	40	BDBB	
C[C@H]1C(=O)NN=C1c1ccc([N+](=O)[O-])cc1	100493941	SDGQWCKSYIINAU-ZCFIWIBFSA-N	219.200	1.065	5	40	BDBB	
CCOC(=O)C[C@H](C[N+](=O)[O-])C(F)(F)F	5574968	ALVDYXPUTPYUQA-RXMQYKEDSA-N	229.154	1.395	5	40	BDBB	
O=C(O)/C=C/c1cc(F)ccc1[N+](=O)[O-]	2504914	IPLPFRYUGPCKGG-DAFODLJHSA-N	211.148	1.832	5	40	BDBB	
C[C@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCO1	35216651	LYSGMXFNYDPMNZ-WPRPVWTQSA-N	237.259	1.969	5	40	BDBB	
Nc1nc(Cl)nc(N2CCCC2)c1[N+](=O)[O-]	5025811	ABTHVRCXIFFPJB-UHFFFAOYSA-N	243.654	1.221	5	40	BDBB	
COc1ccc(-c2n[nH]c(N)c2C)cc1[N+](=O)[O-]	36936045	LREVXSWBSYQGFH-UHFFFAOYSA-N	248.242	1.884	5	40	BDBB	
O=[N+]([O-])CS(=O)(=O)c1ccc(Cl)cc1	100026473	XMYAZABHPSHKHB-UHFFFAOYSA-N	235.648	1.348	5	40	BDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@@H]2CC[C@H]2C1	1694707	RIEUJROYQIQIKK-STQMWFEESA-N	212.381	1.569	5	40	BDBB	
O=[N+]([O-])c1ccccc1NCc1c[nH]cn1	54764674	VMXJFSMYHVJMRF-UHFFFAOYSA-N	218.216	1.930	5	40	BDBB	
CCOC(=O)COc1cc(C)ccc1[N+](=O)[O-]	20362207	BCZXBILALQUCCS-UHFFFAOYSA-N	239.227	1.845	5	40	BDBB	
Cc1ccc([S@](=O)O)cc1[N+](=O)[O-]	33482333	AAGZANANHYIIJF-UHFFFAOYSA-N	201.203	1.484	5	40	BDBB	
O=[N+]([O-])c1cc(-c2ccn[nH]2)ccc1O	85393663	BNIUGUKUTMFAEO-UHFFFAOYSA-N	205.173	1.691	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H](O)C1	40452489	GINGDZDYVCBOHR-MRVPVSSYSA-N	240.234	1.695	5	40	BDBB	
O=C(O)c1nn(CC(F)(F)F)cc1[N+](=O)[O-]	12357566	JYIYGHMDRUPKPM-UHFFFAOYSA-N	239.109	1.052	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(-c2ncc(CO)o2)cc1	68590591	FASWZHQOPDYKJG-UHFFFAOYSA-N	220.184	1.742	5	40	BDBB	in-vitro
O=Cc1ccc([N+](=O)[O-])cc1N1CCSC1	95081363	GZQHCYFKPBGVCH-UHFFFAOYSA-N	238.268	1.918	5	40	BDBB	
CC[N+]1([C@@H]2CC[C@H]3CC[C@@H]2C3=O)CCOCC1	5105712	MXWPXGWUDJCQTO-FRRDWIJNSA-N	238.351	1.611	5	40	BDBB	
COCCNc1ccc(C(C)=O)cc1[N+](=O)[O-]	67949397	KNBGPPKLOSIHQF-UHFFFAOYSA-N	238.243	1.856	5	40	BDBB	
Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1	39653	ZCDYCESVPSXZFM-UHFFFAOYSA-N	206.161	1.227	5	40	BDBB	
COc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]	284757	RKFFPIHHFHHEDH-UHFFFAOYSA-N	224.216	1.305	5	40	BDBB	
COc1c([N+](=O)[O-])ccc(C(=O)O)c1O	34514893	GWMPFGBRRHGDRA-UHFFFAOYSA-N	213.145	1.007	5	40	BDBB	in-vitro
CCS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	15443049	KQNHOMGPULSGTA-UHFFFAOYSA-N	245.256	1.397	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1SCCO	35161623	GEBFLDYDAQLPEJ-UHFFFAOYSA-N	243.240	1.377	5	40	BDBB	in-vitro
Cc1cc2nc3ccc(O)cc3[n+](C)c2cc1N	5390554	WGURDSIYRPYPNW-UHFFFAOYSA-O	240.286	1.809	5	40	BDBB	
COC(=O)CSc1ncccc1[N+](=O)[O-]	20135334	BUYTYRDJPVIJOE-UHFFFAOYSA-N	228.229	1.255	5	40	BDBB	biogenic,in-vitro
O=[N+]([O-])c1ccc(NCC2(CO)COC2)cc1	89793138	UIRVDHCDLSGVJD-UHFFFAOYSA-N	238.243	1.016	5	40	BDBB	
Cc1ncsc1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	79108868	NWYPTVQDUYRLKP-RITPCOANSA-N	227.245	1.055	5	40	BDBB	
O=C(O)c1cc2cc([N+](=O)[O-])cnc2o1	40448541	FKGYXJCDVVAPCX-UHFFFAOYSA-N	208.129	1.434	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(C(=O)O)c1OC	57339921	ZQAXATYFPVCKFM-UHFFFAOYSA-N	227.172	1.310	5	40	BDBB	
CCCCC[C@@]1([N+](=O)[O-])COCN(C)C1	31925012	GMEAGYKVINHKIG-JTQLQIEISA-N	216.281	1.502	5	40	BDBB	
CC(C)C[C@@H]([N+](C)(C)C)P(=O)(O)O	1720882	MHFOVXZPIMLKPI-QMMMGPOBSA-O	210.234	1.243	5	40	BDBB	
CNc1cc(C)nc(Cl)c1[N+](=O)[O-]	79058014	ABNSGBJKJSNTAV-UHFFFAOYSA-N	201.613	1.993	5	40	BDBB	
CC(=O)CC(=O)c1ccccc1[N+](=O)[O-]	100084122	GHVZFKABKYFVRO-UHFFFAOYSA-N	207.185	1.757	5	40	BDBB	
O=C(O)CCC(=O)c1ccc([N+](=O)[O-])cc1	1705730	NVQAKPKZYJWBTP-UHFFFAOYSA-N	223.184	1.642	5	40	BDBB	
COC(=O)c1oc2ccc([N+](=O)[O-])cc2c1O	110288947	ZSUYIBILLCWBMG-UHFFFAOYSA-N	237.167	1.833	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1C(=O)N(C)OC	135083320	YBKCVRQJJZTGIC-UHFFFAOYSA-N	240.215	1.237	5	40	BDBB	
O=[N+]([O-])c1c(CO)ccc2cnccc12	85398943	QOLHRMNQLULIJM-UHFFFAOYSA-N	204.185	1.635	5	40	BDBB	
CCC[C@]1([N+](=O)[O-])CC[C@@](C)(O)[C@H](C(C)=O)C1	5731875	LHIKMPKGTVKURF-TUAOUCFPSA-N	243.303	1.942	5	40	BDBB	
CC(C)(C)OC(=O)Cn1cc([N+](=O)[O-])cn1	67799558	NTKGJURGMYTWLC-UHFFFAOYSA-N	227.220	1.133	5	40	BDBB	
COc1c(F)cc(C(C)=O)cc1[N+](=O)[O-]	675050771	VSLHAXHPSFINKD-UHFFFAOYSA-N	213.164	1.945	5	40	BDBB	
Cn1nc(-c2ccccc2[N+](=O)[O-])ccc1=O	206581137	HAZHTVJGFXDYHP-UHFFFAOYSA-N	231.211	1.356	5	40	BDBB	
Nc1nc(N2CCCCCC2)ncc1[N+](=O)[O-]	48543708	ROVFCAUYPFNFGI-UHFFFAOYSA-N	237.263	1.347	5	40	BDBB	
N[C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1	100809892	RFBCQPCYUKMYMY-TXEJJXNPSA-N	249.314	1.954	5	40	BDBB	
O=[N+]([O-])c1cccc(CSCCO)c1	34223726	NMLIZCGRRZQACU-UHFFFAOYSA-N	213.258	1.820	5	40	BDBB	
COCNC(=O)Nc1ccc([N+](=O)[O-])cc1	5664153	FSZRZTPUVZJNTQ-UHFFFAOYSA-N	225.204	1.320	5	40	BDBB	
CC(=O)Nc1ccc2nccnc2c1[N+](=O)[O-]	675030454	NXNHKPZYYDVLCE-UHFFFAOYSA-N	232.199	1.496	5	40	BDBB	
O=C(O)c1cn(CC(F)(F)F)nc1[N+](=O)[O-]	95836856	ZJGVOBIYGFGFNQ-UHFFFAOYSA-N	239.109	1.052	5	40	BDBB	
O=[N+]([O-])c1cc(F)c2cccnc2c1O	1598066	WJOHCSADJQUMCX-UHFFFAOYSA-N	208.148	1.988	5	40	BDBB	
Cc1cc([N+](=O)[O-])nn1CC(F)(F)F	12395857	SCNHQOHXKSZPAB-UHFFFAOYSA-N	209.127	1.662	5	40	BDBB	
O=[N+]([O-])c1ccc(OC2CCNCC2)nc1	40434901	VQDFIZFGOCWEHK-UHFFFAOYSA-N	223.232	1.121	5	40	BDBB	
COC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1	6763248	DBVLYSUNWRLNSO-ZETCQYMHSA-N	225.200	1.535	5	40	BDBB	
O=[N+]([O-])c1ccccc1-n1cnc(CO)c1	217748889	QDIVIIIKEDCIBY-UHFFFAOYSA-N	219.200	1.273	5	40	BDBB	
CC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]	4392724	ZBECJQMWJBFRCL-UHFFFAOYSA-N	216.143	1.831	5	40	BDBB	in-vitro
CN1CCC/C1=C\c1c([N+](=O)[O-])cnn1C	49717189	FXLPOKPRQQEBAL-SOFGYWHQSA-N	222.248	1.395	5	40	BDBB	
CC[C@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408716539	NYUQVECXZUXLOM-SCSAIBSYSA-N	249.173	1.765	5	40	BDBB	
O=C(O)c1ccc2c(F)ccc([N+](=O)[O-])c2n1	85399897	KIRRMCHJHRBWOL-UHFFFAOYSA-N	236.158	1.980	5	40	BDBB	
O=C(O)[C@@H]1N=Nc2ccc([N+](=O)[O-])cc21	199563805	WRKLKSUNRUCEDU-SSDOTTSWSA-N	207.145	1.818	5	40	BDBB	
O=[N+]([O-])c1c(-c2cnoc2)n[nH]c1-c1cnoc1	124336	QYYVMIJWLVHLRL-UHFFFAOYSA-N	247.170	1.628	5	40	BDBB	
CC[C@@H](CO)NCc1ccc([N+](=O)[O-])cc1	8326375	ULCNJCXXUJYDEK-JTQLQIEISA-N	224.260	1.455	5	40	BDBB	
Nc1ncnc(Nc2ccc(F)cc2)c1[N+](=O)[O-]	3912551	FWXQKHKXZHJHQB-UHFFFAOYSA-N	249.205	1.850	5	40	BDBB	
C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1CCCO1	4722269	KEESNWGHTQPUTB-VIFPVBQESA-N	248.310	1.332	5	40	BDBB	
C[N+](C)(C)CCCNC(=O)c1ccco1	10001057	RNTLXOZSONKAPN-UHFFFAOYSA-O	211.285	1.106	5	40	BDBB	
O=C(Cn1cnc([N+](=O)[O-])c1)c1ccc(F)cc1	5286192	LPTJDEIDQDLUGO-UHFFFAOYSA-N	249.201	1.813	5	40	BDBB	
CC(C)C(=O)Nc1ncc([N+](=O)[O-])s1	4814232	CCAOSTVRUDNJSB-UHFFFAOYSA-N	215.234	1.646	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])cc2c1OCC2	34415426	KKVHYRLBRSAQLU-UHFFFAOYSA-N	207.185	1.732	5	40	BDBB	
COC(=O)c1cc(N)cc([N+](=O)[O-])c1C	62350332	HVACSQNWWAHGGC-UHFFFAOYSA-N	210.189	1.272	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(-c2ccnc3ncnn23)cc1	22607201	UBJFQLIQSXFCGU-UHFFFAOYSA-N	241.210	1.700	5	40	BDBB	
C[C@@H]1Oc2c(cccc2[N+](=O)[O-])NC1=O	197059343	IPHWEMRMKXSTIN-YFKPBYRVSA-N	208.173	1.314	5	40	BDBB	
Cc1cccc(-c2c([N+](=O)[O-])cnn2CCO)c1	96527476	DCWBZESBFNGHCU-UHFFFAOYSA-N	247.254	1.759	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1	238854114	MURDSWGYWHGJMH-VGBILLHSSA-N	236.271	1.123	5	40	BDBB	
C[N+](C)(C)C[C@@H]1CCC[C@H](C[N+](C)(C)C)C1O	17194587	RGEJGKAPVHMJMK-PBWFPOADSA-N	244.423	1.176	5	40	BDBB	
CC(C)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	28026378	IIURSEZZEKMDHA-UHFFFAOYSA-N	248.242	1.609	5	40	BDBB	
CC[N+](CC)(CC)CCCS(=O)(=O)O	1882300	XNZWVIWQVCUACU-UHFFFAOYSA-O	224.346	1.141	5	40	BDBB	
COCC(=O)OCc1ccccc1[N+](=O)[O-]	60654435	PWFQCMPDDNLOQJ-UHFFFAOYSA-N	225.200	1.284	5	40	BDBB	
O=C(O)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1	14679722	RKUGUORNGRELOH-SNVBAGLBSA-N	236.227	1.648	5	40	BDBB	
O=[N+]([O-])c1ccnn1Cc1noc(C2CC2)n1	95427868	NHWGKFDCVPCWKS-UHFFFAOYSA-N	235.203	1.100	5	40	BDBB	
CC(=O)[C@@H]1C[C@@](C)([N+](=O)[O-])CC[C@@]1(C)O	5712625	AMVMHQODMGEQGU-LPEHRKFASA-N	215.249	1.162	5	40	BDBB	
C[C@@H]1Oc2cc([N+](=O)[O-])ccc2N(C)C1=O	20397429	GIKJVVDUPAPCAB-LURJTMIESA-N	222.200	1.339	5	40	BDBB	
Cc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	6390527	KPJKQLUMKYBKCR-UHFFFAOYSA-N	221.260	1.313	5	40	BDBB	
CC(C)Cc1n[nH]c(C(=O)O)c1[N+](=O)[O-]	22160372	GWHMCRICRIJFNS-UHFFFAOYSA-N	213.193	1.215	5	40	BDBB	in-vitro
O=C(O)c1ccnc2c([N+](=O)[O-])c(F)ccc12	85399980	HCBZSZPHSCBRFM-UHFFFAOYSA-N	236.158	1.980	5	40	BDBB	
O=c1cc(O)[nH]c(-c2ccccc2[N+](=O)[O-])n1	96320088	VAAZJFUFGJIJPG-UHFFFAOYSA-N	233.183	1.051	5	40	BDBB	
NC(=O)/C(=C/c1ccc([N+](=O)[O-])o1)c1ccco1	4474595	LYAHJFZLDZDIOH-SOFGYWHQSA-N	248.194	1.807	5	40	BDBB	in-man
O=C(O)[C@@H]1CCCN1c1ccccc1[N+](=O)[O-]	19271194	MVJZGJIDVGGPCQ-JTQLQIEISA-N	236.227	1.648	5	40	BDBB	
CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	3163569	MMKVKJYNBQOXPZ-UHFFFAOYSA-N	244.634	1.656	5	40	BDBB	
O=[N+]([O-])c1ccc(NN2CCCCC2)nc1	32853408	OYNLQHKPVCTUPJ-UHFFFAOYSA-N	222.248	1.803	5	40	BDBB	
O=[N+]([O-])c1ccc(NC(=S)NC2CC2)nc1	13838293	AMWBQZDZQJYVMI-UHFFFAOYSA-N	238.272	1.439	5	40	BDBB	
O=[N+]([O-])c1cc(-n2cnnn2)ccc1Cl	983838	MKEPUUMWQHWBMG-UHFFFAOYSA-N	225.595	1.224	5	40	BDBB	in-vitro
Cc1cc([N+](=O)[O-])c2ccccc2[n+]1[O-]	1868576	YRPLTHBJMGSMKH-UHFFFAOYSA-N	204.185	1.690	5	40	BDBB	
CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cn1	58245142	RSMFUQXVWIRUMF-SNVBAGLBSA-N	225.248	1.563	5	40	BDBB	
C[C@@H]1CCCCN1c1ncnc(N)c1[N+](=O)[O-]	3912637	FTJQTRQPROZQMN-SSDOTTSWSA-N	237.263	1.346	5	40	BDBB	
Cc1nc(N(C)[C@@H](C)CO)ccc1[N+](=O)[O-]	95978603	YIKVBHWWAXILJK-ZETCQYMHSA-N	225.248	1.115	5	40	BDBB	
COC(=O)c1cc2c(c([N+](=O)[O-])c1)OCCO2	35333540	QRCUAZKIUQKUPB-UHFFFAOYSA-N	239.183	1.153	5	40	BDBB	
O=[N+]([O-])c1c(NCCO)ccc2nsnc12	5344196	SLFKNOGAJGVMQJ-UHFFFAOYSA-N	240.244	1.004	5	40	BDBB	
O=C(O)Cc1c[nH]c2cc([N+](=O)[O-])ccc12	51952511	UWIIUZCZYMXUQP-UHFFFAOYSA-N	220.184	1.703	5	40	BDBB	
CC(C)(C)C(=O)Cn1ccc([N+](=O)[O-])n1	50131383	IONHXGKXOAPVCM-UHFFFAOYSA-N	211.221	1.407	5	40	BDBB	
C[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1	32797158	YUQHTMGJSLCXNW-ZETCQYMHSA-N	239.231	1.097	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NCc1ccccn1	4869579	OXOYTMYVROSHJR-UHFFFAOYSA-N	233.231	1.335	5	40	BDBB	
CCOc1nn([C@@H](CC)C(=O)O)cc1[N+](=O)[O-]	253400422	LFTDSSZROBCEDQ-LURJTMIESA-N	243.219	1.226	5	40	BDBB	
CC(C)(C)OC(=O)Nc1c[nH]nc1[N+](=O)[O-]	1548918939	UDFVHEMUFRXPRE-UHFFFAOYSA-N	228.208	1.665	5	40	BDBB	
OCC1=CC[N+]2(Cc3ccccc3)CC[C@H](O)[C@H]12	526751	MPDVSGSUYGUBLA-KSCSMHSMSA-N	246.330	1.069	5	40	BDBB	
CC[C@H](C(=O)O)N(C)c1cccc([N+](=O)[O-])c1	44619282	DTIUYPCASPZCFR-SNVBAGLBSA-N	238.243	1.894	5	40	BDBB	
CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1	29753833	PBMGKPKKYDPJMG-UHFFFAOYSA-N	210.189	1.423	5	40	BDBB	
O=[N+]([O-])C[C@@H](O)c1ccc2ccccc2n1	5940009	WFVVYWMLBAOTQJ-LLVKDONJSA-N	218.212	1.545	5	40	BDBB	
O=Cc1cccc(OCn2cc([N+](=O)[O-])cn2)c1	2535222	LPYRULLSPSLYCD-UHFFFAOYSA-N	247.210	1.640	5	40	BDBB	
C[C@H](O[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	2048406	PIQBSPNEWLXJOU-LURJTMIESA-N	212.161	1.864	5	40	BDBB	
C[S@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4747895	BMIAGKOMRMMSLT-OAHLLOKOSA-N	230.201	1.240	5	40	BDBB	
C[C@H]1S[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O	9434368	ZRBDZCSETAATRB-LDWIPMOCSA-N	238.268	1.845	5	40	BDBB	
CONC(=O)Nc1ccc([N+](=O)[O-])cc1	4660888	ZIRPDPWCKIZCEJ-UHFFFAOYSA-N	211.177	1.278	5	40	BDBB	
Cc1cc(OC2CNC2)ccc1[N+](=O)[O-]	42770051	YVVRIDRDZQHWAB-UHFFFAOYSA-N	208.217	1.254	5	40	BDBB	
O=[N+]([O-])c1cccc(CN(CCO)C2CC2)c1	48065122	GTHUOPYHZAHKED-UHFFFAOYSA-N	236.271	1.552	5	40	BDBB	
Nc1nc(Cl)nc(Cl)c1[N+](=O)[O-]	5543716	HTUHWWQWBOTDDW-UHFFFAOYSA-N	208.992	1.274	5	40	BDBB	in-vitro
COc1ccc(OC(C)=O)cc1[N+](=O)[O-]	32594170	XUZGGGXQVSZPDD-UHFFFAOYSA-N	211.173	1.529	5	40	BDBB	in-vitro
N[C@@H]1CCN(c2cccc(F)c2[N+](=O)[O-])C1	50244280	ZNBDCZKQDHZEMH-SSDOTTSWSA-N	225.223	1.271	5	40	BDBB	
CSCCCn1ccc(=O)c([N+](=O)[O-])c1	95412964	CKCAEQWRUXZOES-UHFFFAOYSA-N	228.273	1.510	5	40	BDBB	
O=[N+]([O-])c1cccnc1SC[C@@H]1CCNC1	91365521	KDIMQNKHLNDUIM-MRVPVSSYSA-N	239.300	1.691	5	40	BDBB	
CC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1	2025454	JZLFVESJVCYKCS-VOTSOKGWSA-N	207.185	1.859	5	40	BDBB	
Cc1c(O)c([N+](=O)[O-])cc2c1OCOC2	1583286	HXGXZWRCVNJTAM-UHFFFAOYSA-N	211.173	1.475	5	40	BDBB	
CCOC(=O)C[C@H](C)[C@H](CC)[N+](=O)[O-]	1696833	UZHUGGMTFKMZBV-YUMQZZPRSA-N	203.238	1.631	5	40	BDBB	
O=C(O)C1(Oc2ccc([N+](=O)[O-])cc2)CC1	85392794	OVVJGVKZIPUYLJ-UHFFFAOYSA-N	223.184	1.591	5	40	BDBB	
Cc1nc(-c2cccc([N+](=O)[O-])c2)no1	50503	ZGPVCGAEIHFMLX-UHFFFAOYSA-N	205.173	1.953	5	40	BDBB	in-vitro
Cc1ccc(N2CCNC[C@H]2C)c([N+](=O)[O-])c1	54375162	UKBPQRZRINYHSB-SNVBAGLBSA-N	235.287	1.701	5	40	BDBB	
CON(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1	48299213	UKQMZBJAWCXLFN-UHFFFAOYSA-N	249.226	1.710	5	40	BDBB	
COC[C@H](C)OC(=O)c1ccccc1[N+](=O)[O-]	73836387	ZWZWQVPSKYEQDE-QMMMGPOBSA-N	239.227	1.787	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@H](O)C1	130867995	BQLHSUSAZAWUNS-QMMMGPOBSA-N	242.662	1.819	5	40	BDBB	
O=C(O)C12C[C@H]3C[C@H](C1)CC([N+](=O)[O-])(C3)C2	100144941	VSRRAGQUKPLYMV-YJTAMFCSSA-N	225.244	1.687	5	40	BDBB	
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCCC1	185910	RMINGDOHLCTLQW-GFCCVEGCSA-N	226.340	1.913	5	40	BDBB	
C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](C)O1	20421131	GFSGRMTXKGSLNZ-DTORHVGOSA-N	237.259	1.603	5	40	BDBB	
O=c1ccc([N+](=O)[O-])cn1CCc1ccccn1	8706798	WBGNLNBVTSDDLN-UHFFFAOYSA-N	245.238	1.394	5	40	BDBB	
CN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cn1	25371440	XWPCWMOQDXUJCG-UHFFFAOYSA-N	247.258	1.360	5	40	BDBB	
C[C@H](C(=O)O)c1ccc(N)c([N+](=O)[O-])c1	72207312	BKSYOYRLJJVUAN-YFKPBYRVSA-N	210.189	1.365	5	40	BDBB	
O=C(O)C(=O)c1c[nH]c2c([N+](=O)[O-])cccc12	199555040	VVLPFSSIECALGF-UHFFFAOYSA-N	234.167	1.343	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(NC(C)=O)c1	32204067	ZKTYPTDVHSNMLX-UHFFFAOYSA-N	210.189	1.562	5	40	BDBB	
NCCCc1c[nH]c2c([N+](=O)[O-])cccc12	1857793228	RDKWOWHSWWJZGC-UHFFFAOYSA-N	219.244	1.967	5	40	BDBB	
COC(=O)COc1ccccc1/C=C/[N+](=O)[O-]	55064	IUGOHGVBDMYMCI-VOTSOKGWSA-N	237.211	1.486	5	40	BDBB	
Cc1cnc2ccc3c(nc([N+](=O)[O-])n3C)c2n1	22058107	QJUZXQZNGRZGAG-UHFFFAOYSA-N	243.226	1.733	5	40	BDBB	in-vitro
Cc1cnn(-c2ncccc2[N+](=O)[O-])c1	12345618	NZYCHZSXLHDUOK-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc(Br)[n+]1[O-]	3847026	FXJATGFTSNBVNK-UHFFFAOYSA-N	233.021	1.299	5	40	BDBB	
O=[N+]([O-])c1ccc(NCCCO)c([N+](=O)[O-])c1	4031779	TVZZVPWULFTZSN-UHFFFAOYSA-N	241.203	1.297	5	40	BDBB	
COc1cc(C(C)=O)c(O)c([N+](=O)[O-])c1	32233696	JCPSCOLEARDZDX-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCl)cc1	76495038	PRZLIPRJFMQMEZ-UHFFFAOYSA-N	236.636	1.027	5	40	BDBB	
CCC[C@@]1([N+](=O)[O-])CC[C@@](C)(O)[C@H](C(C)=O)C1	5731876	LHIKMPKGTVKURF-QJPTWQEYSA-N	243.303	1.942	5	40	BDBB	
CC(=O)Nc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-]	5663417	LRJBBIRVQSXOIQ-UHFFFAOYSA-N	243.150	1.601	5	40	BDBB	
CC(C)c1ccc(OCC(N)=O)c([N+](=O)[O-])c1	216908376	ZUBGIXDRALBICX-UHFFFAOYSA-N	238.243	1.582	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)O	6070143	XCSZUHHAYFILGO-UHFFFAOYSA-N	217.202	1.150	5	40	BDBB	
CN1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1	26895929	MDXHLQQRWAKCBH-QWRGUYRKSA-N	247.298	1.593	5	40	BDBB	in-vitro
O=C1OCCN1/C=C/c1ccc([N+](=O)[O-])o1	554130	QDHJQGBLYWVRKL-ONEGZZNKSA-N	224.172	1.611	5	40	BDBB	
CCOC(=O)Cc1ncccc1[N+](=O)[O-]	34217146	IAWFTQPIKKGISQ-UHFFFAOYSA-N	210.189	1.095	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2ccc3nncn3n2)c1	27654210	QOFLRBIXKONWGZ-UHFFFAOYSA-N	241.210	1.700	5	40	BDBB	
C[C@@H](CO)NC(=O)Nc1ccc([N+](=O)[O-])cc1	32779567	UECJKDDEQDOLCM-ZETCQYMHSA-N	239.231	1.097	5	40	BDBB	
O=[N+]([O-])c1ccc(CNC2CCNCC2)cc1	38041461	ROTSLSUAWLRTDY-UHFFFAOYSA-N	235.287	1.436	5	40	BDBB	
C/C=C(/C)C(=O)OC[C@@H]1CC[N+](C)([O-])C1	5566255	VCASXRNIMTULLQ-LKHYWZEMSA-N	213.277	1.460	5	40	BDBB	
O=[N+]([O-])c1ccccc1N[C@@H]1CCNC1	52093696	AYVWGWUVABGHSG-MRVPVSSYSA-N	207.233	1.369	5	40	BDBB	
O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1O	22520870	SIYGNKVPVGTIHB-UHFFFAOYSA-N	217.564	1.652	5	40	BDBB	in-vitro
CC[C@H]1ON=C(c2ccccc2)[C@H]1[N+](=O)[O-]	4016977	RHJVAXCZJRZNJS-KOLCDFICSA-N	220.228	1.845	5	40	BDBB	
CC[C@H](C(=O)O)n1ncc([N+](=O)[O-])c1C(F)F	408716617	OWYOSZRNWMYJEG-SCSAIBSYSA-N	249.173	1.765	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(Cn2ccnn2)c1	195568168	OXEGOCXXFHOEPJ-UHFFFAOYSA-N	234.215	1.243	5	40	BDBB	
O=c1ccc(F)cn1Cc1ccccc1[N+](=O)[O-]	190754191	RRMJJWWNFFEBBP-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	254866	XYJJSLMPHYYITA-UHFFFAOYSA-N	235.648	1.652	5	40	BDBB	
CC(=O)N1CC[N+](C)(C)c2ccccc21	1681126	PWEGKJUOTNARGL-UHFFFAOYSA-N	205.281	1.620	5	40	BDBB	
O=C(O)c1nn(C2CCCC2)cc1[N+](=O)[O-]	229733291	KUHNUPOJWDAXFQ-UHFFFAOYSA-N	225.204	1.605	5	40	BDBB	
COc1cc(F)c(CC(=O)O)cc1[N+](=O)[O-]	97447139	NKMOPSLCGIPFFB-UHFFFAOYSA-N	229.163	1.370	5	40	BDBB	
NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1	266255	IGRNRTAXLNUASW-UHFFFAOYSA-N	233.183	1.349	5	40	BDBB	
CC(=O)Nc1ccc(C(C)=O)cc1[N+](=O)[O-]	4661689	AQEFIRMOFYNFKT-UHFFFAOYSA-N	222.200	1.756	5	40	BDBB	
O=Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	100016547	HWFUMAYINFTNSZ-UHFFFAOYSA-N	241.115	1.224	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Sc1ncccn1	13282314	LWMMNQZYZIXZCW-UHFFFAOYSA-N	237.244	1.270	5	40	BDBB	
CN1C[C@@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C1	26895932	MDXHLQQRWAKCBH-GHMZBOCLSA-N	247.298	1.593	5	40	BDBB	in-vitro
NC(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1	216810143	GOLZYNJMYCKSRA-UHFFFAOYSA-N	231.211	1.484	5	40	BDBB	
CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	3188520	AMUJXUBLHTYUAN-UHFFFAOYSA-N	234.211	1.601	5	40	BDBB	
Nc1cnccc1C(=O)c1ccc([N+](=O)[O-])cc1	199712318	ZSFUAISZKTXDTD-UHFFFAOYSA-N	243.222	1.803	5	40	BDBB	
Cc1nc(N(C)[C@H](C)CO)ccc1[N+](=O)[O-]	95978604	YIKVBHWWAXILJK-SSDOTTSWSA-N	225.248	1.115	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC(O)C2)c2ccncc12	68902854	JKZDSDLVVZHACK-UHFFFAOYSA-N	245.238	1.324	5	40	BDBB	
Nc1cnc(Br)c([N+](=O)[O-])c1	71256369	HOJLDEBHMQLWME-UHFFFAOYSA-N	218.010	1.335	5	40	BDBB	
c1ccc2c(c1)nnn1c3cnccc3nc21	13284379	DGKJAQSECLEWLA-UHFFFAOYSA-N	221.223	1.826	5	40	BDBB	
Cn1cnc2c(=S)[nH]cc([N+](=O)[O-])c21	523339	RLIZVBVVPDYHOS-UHFFFAOYSA-N	210.218	1.539	5	40	BDBB	
Cc1nn(CC(F)(F)F)c(C)c1[N+](=O)[O-]	2534802	SPYDZGGJOLQRAK-UHFFFAOYSA-N	223.154	1.970	5	40	BDBB	
Nc1ncnc(Nc2ccccc2)c1[N+](=O)[O-]	4126551	PGVSSDIHLVHLSQ-UHFFFAOYSA-N	231.215	1.711	5	40	BDBB	
NCCSCc1ccccc1[N+](=O)[O-]	19472895	JCLNAXDNUXWOCC-UHFFFAOYSA-N	212.274	1.787	5	40	BDBB	
O=c1[nH]cc(-c2ccc([N+](=O)[O-])cc2)o1	339357	SEHUDHVEXGRFKF-UHFFFAOYSA-N	206.157	1.543	5	40	BDBB	
CCCOc1ccc([N+](=O)[O-])cc1C(N)=O	3163581	CVMPEAZMAIZTPK-UHFFFAOYSA-N	224.216	1.483	5	40	BDBB	
O=[N+]([O-])c1cccnc1NN1CCCCC1	22798819	LZFQRCNCUGUTLQ-UHFFFAOYSA-N	222.248	1.803	5	40	BDBB	
COc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)O	57339623	RPWIJMZSSLWVTH-UHFFFAOYSA-N	225.200	1.918	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1n[nH]nc1[N+](=O)[O-]	4115107	RXKJVBIHCJIJCD-UHFFFAOYSA-N	235.159	1.288	5	40	BDBB	
CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	6419421	KIEJWIPUHQUGOF-VMPITWQZSA-N	220.228	1.696	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(C)c1-n1cnnc1	70461688	VWCCMFSLKKYHCP-UHFFFAOYSA-N	218.216	1.792	5	40	BDBB	
O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2[N+](=O)[O-]	252587296	XDXSQNDERUKYLD-PHKAARJASA-N	225.244	1.543	5	40	BDBB	
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC1	27358018	NGNXNQJBEVHXPW-UHFFFAOYSA-N	249.270	1.899	5	40	BDBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	8077220	NFKRXUOSVPWKHA-UHFFFAOYSA-N	249.270	1.553	5	40	BDBB	
Cc1nnc(NCc2ccc([N+](=O)[O-])o2)s1	75283122	URPYZLNSCPLBOQ-UHFFFAOYSA-N	240.244	1.960	5	40	BDBB	
COC[C@@H](O)CNc1ccccc1[N+](=O)[O-]	71909628	GJKLHYGDIDKCEB-QMMMGPOBSA-N	226.232	1.014	5	40	BDBB	
COC(=O)Cc1ccc2ncccc2c1[N+](=O)[O-]	217765729	IRICTWZIPJPBRD-UHFFFAOYSA-N	246.222	1.859	5	40	BDBB	
O=C(O)[C@@H]1N=Nc2cccc([N+](=O)[O-])c21	89195825	LLOPTUDQPHNEQR-SSDOTTSWSA-N	207.145	1.818	5	40	BDBB	
C[C@H](O)[C@@H](C)Sc1ncccc1[N+](=O)[O-]	78582354	WNZURCNLMNEWTC-NKWVEPMBSA-N	228.273	1.851	5	40	BDBB	
O=[N+]([O-])c1ncn(Cc2ccc(Cl)nc2)n1	37730017	IKVPSXAOIIBCDO-UHFFFAOYSA-N	239.622	1.283	5	40	BDBB	
C[N+](C)(C)C[C@@H](O)COc1ccccc1	173783	GJTCVMQXALBBCN-LLVKDONJSA-N	210.297	1.133	5	40	BDBB	
O=[N+]([O-])c1cc[n+]([O-])c(NCc2ccccc2)c1	1703094	RZHBQOIPROFFCK-UHFFFAOYSA-N	245.238	1.840	5	40	BDBB	
CN1CCN(c2cccc([N+](=O)[O-])c2)C1=O	75824255	REPMDCBXXHJOGA-UHFFFAOYSA-N	221.216	1.467	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(Cl)c1C(=O)O	536955512	WXOOMRDHEOTNCX-UHFFFAOYSA-N	231.591	1.955	5	40	BDBB	
Cc1ccc(CC(=O)N(C)C)c([N+](=O)[O-])c1	1609952	SUGMDMJQTHFNLP-UHFFFAOYSA-N	222.244	1.534	5	40	BDBB	
CCOC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	35567205	XQCDWVWONSFMLL-UHFFFAOYSA-N	235.199	1.648	5	40	BDBB	in-vitro
COC(=O)c1cc(F)cc(C)c1[N+](=O)[O-]	71625029	VFTXULHKYAMECP-UHFFFAOYSA-N	213.164	1.829	5	40	BDBB	in-vitro
CC(C)NC(=O)c1ccc(NN)c([N+](=O)[O-])c1	37737488	PBVPMFZSXFYZGX-UHFFFAOYSA-N	238.247	1.019	5	40	BDBB	
O=Cc1cc2oc(=O)ccc2cc1[N+](=O)[O-]	2540073	RJWWLEXSJISZEY-UHFFFAOYSA-N	219.152	1.514	5	40	BDBB	
Cc1ncc([N+](=O)[O-])n1Cc1ccccn1	89730054	LQPXCDCGPOJULH-UHFFFAOYSA-N	218.216	1.543	5	40	BDBB	
O=[N+]([O-])c1cccnc1NCC(F)(F)F	22153068	DXGGJMCXBDJUBU-UHFFFAOYSA-N	221.138	1.964	5	40	BDBB	
Cn1ccc(-c2ccc([N+](=O)[O-])cc2)n1	20286606	FYIRDRMAQFLXCT-UHFFFAOYSA-N	203.201	1.995	5	40	BDBB	in-vitro
O=C(O)c1c(F)cc(F)cc1[N+](=O)[O-]	169800330	LOPIOMPOBZEOFJ-UHFFFAOYSA-N	203.100	1.571	5	40	BDBB	
OCC1=CC[N+]2(Cc3ccccc3)CC[C@@H](O)[C@@H]12	4028515	MPDVSGSUYGUBLA-YGFGXBMJSA-N	246.330	1.069	5	40	BDBB	
CNc1c([N+](=O)[O-])c(=O)oc2ccccc12	3895926	YEMWREDUHDSXOD-UHFFFAOYSA-N	220.184	1.743	5	40	BDBB	
COc1c(C(N)=O)cc2ccccc2c1[N+](=O)[O-]	40545136	QTQGXSHKYZLVGI-UHFFFAOYSA-N	246.222	1.856	5	40	BDBB	
O=[N+]([O-])c1ccc2nc(O)cc(O)c2c1	40762409	GGMDSWMTVZEDCD-UHFFFAOYSA-N	206.157	1.554	5	40	BDBB	
O=C1CCC[C@H]1[C@H](C[N+](=O)[O-])C(F)(F)F	43464391	SIEJXCPEXVPLAQ-WDSKDSINSA-N	225.166	1.811	5	40	BDBB	
CCOc1cc([N+](=O)[O-])c(C(=O)O)cc1OC	4218218	GPTFBBVXZVBLEN-UHFFFAOYSA-N	241.199	1.700	5	40	BDBB	in-vitro
N=c1ccn(Cc2ccc([N+](=O)[O-])cc2)cc1	493732	ONRQTXBXHBBJOG-UHFFFAOYSA-N	229.239	1.924	5	40	BDBB	
O=[N+]([O-])c1ccc([C@@H]2NNC(=S)S2)cc1	114499	BHLDLMHHOBEPIL-SSDOTTSWSA-N	241.297	1.719	5	40	BDBB	
COC(=O)c1cc(OC)cc([N+](=O)[O-])c1OC	57340011	OGNBCCBCWRILBK-UHFFFAOYSA-N	241.199	1.399	5	40	BDBB	
Cc1nn(CC(=O)c2ccc[nH]2)c(C)c1[N+](=O)[O-]	4548881	NLPQGDQBENCFBD-UHFFFAOYSA-N	248.242	1.619	5	40	BDBB	
O=[N+]([O-])c1c(O)ncc(F)c1Br	15684422	QJZOJKOUBPFZFQ-UHFFFAOYSA-N	236.984	1.597	5	40	BDBB	
O=[N+]([O-])c1cccnc1OCC1CCNCC1	51869857	CHCAJIFNXYRTKR-UHFFFAOYSA-N	237.259	1.368	5	40	BDBB	
C[C@H]1CCCCN1c1ncnc(N)c1[N+](=O)[O-]	3912638	FTJQTRQPROZQMN-ZETCQYMHSA-N	237.263	1.346	5	40	BDBB	
CC(C)(N)CNc1ccc([N+](=O)[O-])cc1F	71893766	QZAAFOYAANKQHZ-UHFFFAOYSA-N	227.239	1.883	5	40	BDBB	
O=[N+]([O-])c1cc2c(O)ncc([N+](=O)[O-])c2o1	9357431	NDZJVPMKFHQJHD-UHFFFAOYSA-N	225.116	1.350	5	40	BDBB	
CCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1	71789048	NSFJULHTFQSZNS-UHFFFAOYSA-N	218.216	1.738	5	40	BDBB	
O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCCO2	5567069	FLBMBFIUCNKNSC-UHFFFAOYSA-N	226.144	1.274	5	40	BDBB	in-vitro
C[C@@H](CO)NC(=O)Nc1ccccc1[N+](=O)[O-]	32779571	FOFMTZXZFKAERG-ZETCQYMHSA-N	239.231	1.097	5	40	BDBB	
N[C@H](C(=O)O)c1cc([N+](=O)[O-])ccc1Cl	72196416	SZZZHQRPXLTHAW-ZETCQYMHSA-N	230.607	1.333	5	40	BDBB	
CCCC(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-]	4248319	MMQKWNKMEQIJLU-UHFFFAOYSA-N	240.215	1.297	5	40	BDBB	
CC1=N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O1	4693651	ABNNCLKVUMXLSZ-POHAHGRESA-N	232.195	1.911	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1N1CCCCC1	4729036	NKEBPMPZKOQQGH-UHFFFAOYSA-N	210.237	1.319	5	40	BDBB	
CCONC(=O)c1ccc([N+](=O)[O-])s1	12751824	QGFOVPGLNQWVQW-UHFFFAOYSA-N	216.218	1.338	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CCNC2)cc1	42773480	QYEVQNHPVRZPGD-SECBINFHSA-N	222.244	1.583	5	40	BDBB	
C[C@H](O)c1cc([N+](=O)[O-])cn(C(F)F)c1=O	242400252	ARXYHXSGHUVDDP-BYPYZUCNSA-N	234.158	1.205	5	40	BDBB	
O=[N+]([O-])c1cc(Br)c2ncnn2c1	888084656	TUNKYFLNJSTOIL-UHFFFAOYSA-N	243.020	1.400	5	40	BDBB	
CCOc1cc(N)c([N+](=O)[O-])cc1OCC	3888820	FIHGCFPYSBKOTC-UHFFFAOYSA-N	226.232	1.974	5	40	BDBB	in-vitro
Nc1ccc([N+](=O)[O-])c(OC(F)F)c1	4880672	OFWXAGMNZQJZTO-UHFFFAOYSA-N	204.132	1.778	5	40	BDBB	
CC(C)(N)CNc1ccc(F)cc1[N+](=O)[O-]	71893765	ULSLQCOCDGJWQN-UHFFFAOYSA-N	227.239	1.883	5	40	BDBB	
O=[N+]([O-])[C@@H]1CC=CN[C@@H]1c1ccccc1	1700522	XYBPOQOEIHCJLO-GHMZBOCLSA-N	204.229	1.880	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])c2ncccc2c1	4228020	IFLJJCFENDRBKS-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
O=c1c([N+](=O)[O-])c[nH]c2ccc(O)cc12	16697781	SHRVVCZZXGXDSY-UHFFFAOYSA-N	206.157	1.142	5	40	BDBB	
NN/C(=C\[N+](=O)[O-])Nc1ccc(Cl)cc1	2508364	LTSHFFRMSMRSGJ-YVMONPNESA-N	228.639	1.291	5	40	BDBB	
CO[C@H]1O[C@H](OC)c2cc([N+](=O)[O-])ccc21	1621458	GPXMTUUVYMYPHE-UWVGGRQHSA-N	225.200	1.915	5	40	BDBB	
C[C@H](Cn1cccn1)Nc1ncccc1[N+](=O)[O-]	42106186	WUSWTJWVRZFGDY-SECBINFHSA-N	247.258	1.687	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)c(F)c1	42434721	UZFWKPIPYMHVHJ-SECBINFHSA-N	240.234	1.695	5	40	BDBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc[nH]n1	95979844	RHNYTKZDUFPOQS-UHFFFAOYSA-N	248.198	1.276	5	40	BDBB	
C[C@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408716638	PBAIIDKBNVBPJZ-GSVOUGTGSA-N	235.146	1.375	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccc(F)c2)N1	13992155	QFAZBZJWJDQADR-ONGXEEELSA-N	238.218	1.422	5	40	BDBB	
O=C1NCC/C1=C/c1cccc([N+](=O)[O-])c1	1653823	IEABNLILOQKYOC-TWGQIWQCSA-N	218.212	1.498	5	40	BDBB	
CCNC(=O)NCCc1cccc([N+](=O)[O-])c1	95442673	FZRHVDCIEQHCDK-UHFFFAOYSA-N	237.259	1.456	5	40	BDBB	
C[C@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	61843972	OTZGDPWFEMEYPN-LURJTMIESA-N	233.231	1.400	5	40	BDBB	
CCOC(=O)CNc1cccc([N+](=O)[O-])c1	31623142	FOBXNGRQPJUTNJ-UHFFFAOYSA-N	224.216	1.570	5	40	BDBB	
C[C@@]1(CO)Cc2cc([N+](=O)[O-])c(Cl)cc2O1	1776011386	BNBQTJVUHNIPLZ-JTQLQIEISA-N	243.646	1.934	5	40	BDBB	
O=[N+]([O-])c1cccc(-n2cccc2CO)c1	8701607	RJHCVNVHTIYABW-UHFFFAOYSA-N	218.212	1.878	5	40	BDBB	
O=C(COc1ccccc1[N+](=O)[O-])NC1CC1	3382298	IHPZSPDAHCIZJS-UHFFFAOYSA-N	236.227	1.252	5	40	BDBB	
O=[N+]([O-])c1cnn(CC(F)F)c1Cl	95097393	ZYLLGTVOSJLGPI-UHFFFAOYSA-N	211.555	1.710	5	40	BDBB	
COC(=O)COc1ccc([N+](=O)[O-])cc1C	39110803	SFROUNMUBMZLJB-UHFFFAOYSA-N	225.200	1.455	5	40	BDBB	
Cc1c(F)cc2ccc(=O)[nH]c2c1[N+](=O)[O-]	85400003	YIYJTLRYLUWPGX-UHFFFAOYSA-N	222.175	1.884	5	40	BDBB	
COC(=O)Nc1cc([N+](=O)[O-])ccc1F	13988725	ARCGDIMEACZQAX-UHFFFAOYSA-N	214.152	1.912	5	40	BDBB	
O=C(Nc1ncccn1)c1cccc([N+](=O)[O-])c1	304644	ANOAMEKOHLQTGZ-UHFFFAOYSA-N	244.210	1.637	5	40	BDBB	
Cn1nc([N+](=O)[O-])nc1Sc1ccccn1	812499	BFUZSKZNEWYCID-UHFFFAOYSA-N	237.244	1.270	5	40	BDBB	
c1cnc2c(n1)c1nccnc1c1nccnc21	34183429	QPJFIVIVOOQUKD-UHFFFAOYSA-N	234.222	1.516	5	40	BDBB	
C[C@H]1S[C@H](c2cccc([N+](=O)[O-])c2)NC1=O	9434369	ZRBDZCSETAATRB-LHLIQPBNSA-N	238.268	1.845	5	40	BDBB	
COc1cc([N+](=O)[O-])c(F)cc1CO	575440200	AXQXBFNYITUYKA-UHFFFAOYSA-N	201.153	1.235	5	40	BDBB	
C[N+]1(C)CC[C@H](O)[C@H](c2ccccc2)C1	1593057	JDKZWVSCQZMZQO-STQMWFEESA-N	206.309	1.611	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCOCC1	19815717	BJMPEXIOBKRJRT-UHFFFAOYSA-N	223.232	1.135	5	40	BDBB	
COc1cc(N)c([N+](=O)[O-])cc1Cl	45221365	GKVJYBKEHWXTEF-UHFFFAOYSA-N	202.597	1.839	5	40	BDBB	
Cc1cn(CC2(O)CCCC2)nc1[N+](=O)[O-]	83588186	LZRQUMKLNDOMAY-UHFFFAOYSA-N	225.248	1.405	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(C(F)(F)F)n1	95098689	GRKYSWOYJBJDNH-UHFFFAOYSA-N	209.127	1.830	5	40	BDBB	
Cc1ccc(-c2nnc(N)o2)cc1[N+](=O)[O-]	19394254	PRYVSRFHUMMCRT-UHFFFAOYSA-N	220.188	1.535	5	40	BDBB	
O=[N+]([O-])c1cnccc1I	21982026	WAINQAYZPSBKTE-UHFFFAOYSA-N	249.995	1.594	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	118890792	YMPAIMKKGNGFRN-UHFFFAOYSA-N	231.229	1.007	5	40	BDBB	
CC[C@H](C)NCc1cc([N+](=O)[O-])nn1C	408717256	XNDAFXCNRVJBNG-ZETCQYMHSA-N	212.253	1.216	5	40	BDBB	
C[N+](C)(C)CCC(=O)c1cccc([N+](=O)[O-])c1	1571721	BNTXKDBEKPGGKA-UHFFFAOYSA-N	237.279	1.874	5	40	BDBB	
CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1	1693130	UCQWVIYMRZFMBM-UHFFFAOYSA-N	208.217	1.226	5	40	BDBB	
CS(=O)(=O)/C=C/c1cccc([N+](=O)[O-])c1	95095246	IVGJSRCEHDKNKM-AATRIKPKSA-N	227.241	1.610	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O	1653259	QDLZDWNEBVTPAI-UHFFFAOYSA-N	242.143	1.117	5	40	BDBB	
CCC(CC)Nc1ncc([N+](=O)[O-])c(N)n1	48544173	QBQOXOHOHHPPNK-UHFFFAOYSA-N	225.252	1.568	5	40	BDBB	
CNc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	4181442	CEJSJXWFXSXWCA-UHFFFAOYSA-N	241.159	1.243	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(CN)c1OC(F)F	78406333	BGGGAYKKTGYDAA-UHFFFAOYSA-N	248.185	1.664	5	40	BDBB	
CC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C	86269	URKVIRSKBUWXFG-UHFFFAOYSA-N	246.226	1.687	5	40	BDBB	
CC[N+](C)(CC)C[C@@H]1C[C@@H](C)OC1=O	5339817	NPFQMTANNZXFQC-ZJUUUORDSA-N	200.302	1.424	5	40	BDBB	
Cc1c(C(=O)N(C)C)cccc1[N+](=O)[O-]	5536962	HKJXXTILQCZEBH-UHFFFAOYSA-N	208.217	1.605	5	40	BDBB	
CN1C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O	3846991	NJXKKMWQUOZWAL-TWGQIWQCSA-N	247.210	1.117	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCCNCC2)c(F)c1	15443089	BSSBZGVNKLRQEL-UHFFFAOYSA-N	239.250	1.534	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1N1CCC(O)CC1	15443058	UOPYYFRFTXJMNM-UHFFFAOYSA-N	240.234	1.695	5	40	BDBB	
C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H](C)O1	20421133	GFSGRMTXKGSLNZ-IUCAKERBSA-N	237.259	1.603	5	40	BDBB	
O=[N+]([O-])c1c(CO)cccc1OC(F)(F)F	146488234	LMPZEMRPSVLHPF-UHFFFAOYSA-N	237.133	1.986	5	40	BDBB	
Cc1c([N+](=O)[O-])c(/C=C\N(C)C)nn1C	101021902	BGIAMSDXBXSVOK-WAYWQWQTSA-N	210.237	1.169	5	40	BDBB	
C[N+](C)(C)CCCNC(=O)Nc1ccccc1	1743008	IQALVPYTWZJDHZ-UHFFFAOYSA-O	236.339	1.904	5	40	BDBB	
CC(C)(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	12773129	LQIYITIDWUWCOF-UHFFFAOYSA-N	238.243	1.372	5	40	BDBB	
Cc1c(NS(C)(=O)=O)cccc1[N+](=O)[O-]	5681243	OHZBGISMJMXTFS-UHFFFAOYSA-N	230.245	1.275	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1nc2nncn2[nH]1	408720695	WVJKMQGYJRUGLT-UHFFFAOYSA-N	230.187	1.028	5	40	BDBB	
O=C1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1	1714322	AYGLHNBZQHEGSR-XBXARRHUSA-N	232.195	1.025	5	40	BDBB	
Cn1nc(N)c2c(Cl)ccc([N+](=O)[O-])c21	40564692	XQIZZXZPBIMBGY-UHFFFAOYSA-N	226.623	1.717	5	40	BDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1	368728	GRLSLEDAKZPEDO-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
N[C@@H](CC(=O)O)c1ccc(F)c([N+](=O)[O-])c1	44216845	FQQBZLDKAWFNNG-ZETCQYMHSA-N	228.179	1.208	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(N2CC(O)C2)c2ncccc12	71214341	QPMIPHMKPWYVAB-UHFFFAOYSA-N	245.238	1.324	5	40	BDBB	
COCCNCc1ccc([N+](=O)[O-])cc1	58055269	DWZMFDMKLLFLTG-UHFFFAOYSA-N	210.233	1.331	5	40	BDBB	
C[N+]1(Cc2cn3ccccc3n2)CCOCC1	5071987	NPDJAGKIJGFHGL-UHFFFAOYSA-N	232.307	1.311	5	40	BDBB	
O=C(CN1CCCC1)c1cccc([N+](=O)[O-])c1	34988742	GJUGBXBZTILBKO-UHFFFAOYSA-N	234.255	1.873	5	40	BDBB	
Nc1cc(Cl)c2nsnc2c1[N+](=O)[O-]	6219589	XELFOZNCAMZWBC-UHFFFAOYSA-N	230.636	1.835	5	40	BDBB	
CCCCn1cc([N+](=O)[O-])c(C(=O)OC)n1	408716957	TWTVOICELYBRDH-UHFFFAOYSA-N	227.220	1.378	5	40	BDBB	
O=[N+]([O-])c1cnn(CCO)c1-c1cccs1	96527528	PSJRVTIDZBXPPS-UHFFFAOYSA-N	239.256	1.512	5	40	BDBB	
CCc1cc(C)c([N+](=O)[O-])c(C(N)=O)c1	521400839	QTUGIDKZBVCCRX-UHFFFAOYSA-N	208.217	1.565	5	40	BDBB	
CC[C@@H]1Oc2cc([N+](=O)[O-])ccc2NC1=O	20397433	PHXBFTNCOJGKQH-QMMMGPOBSA-N	222.200	1.704	5	40	BDBB	
Nc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	4660457	ZUDIVQAJPYPUKG-UHFFFAOYSA-N	221.216	1.069	5	40	BDBB	
Nc1ncnc(Nc2ccccc2F)c1[N+](=O)[O-]	3892588	YWBMJUBGKCEUAR-UHFFFAOYSA-N	249.205	1.850	5	40	BDBB	
CN(C)CCNc1ccc([N+](=O)[O-])c(N)c1	95929100	ONOIUGPRZXRGRS-UHFFFAOYSA-N	224.264	1.151	5	40	BDBB	in-vitro
O=[N+]([O-])c1cn(Cc2noc3c2CCCC3)cn1	71888719	PGSZSTKEMNOFGN-UHFFFAOYSA-N	248.242	1.706	5	40	BDBB	
COCCN1CCc2cc([N+](=O)[O-])ccc2C1	218744573	SZZQMYOJWAVZNL-UHFFFAOYSA-N	236.271	1.599	5	40	BDBB	
COc1ccc(/C=C/C(N)=O)cc1[N+](=O)[O-]	226329909	AJGURBLLTHWBHY-HWKANZROSA-N	222.200	1.102	5	40	BDBB	
C[C@@H](O)c1cc([N+](=O)[O-])cn(C(F)F)c1=O	242400254	ARXYHXSGHUVDDP-SCSAIBSYSA-N	234.158	1.205	5	40	BDBB	
CN(C)CCCNc1ccccc1[N+](=O)[O-]	5422891	ZDZJXJSIUMJLQB-UHFFFAOYSA-N	223.276	1.958	5	40	BDBB	
CC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1	3850874	XHSIYGKUGWQEJC-UHFFFAOYSA-N	239.256	1.428	5	40	BDBB	biogenic
O=[N+]([O-])c1cccnc1OC[C@@H]1CCCCO1	67802476	VUTVSWRKFGCLRI-VIFPVBQESA-N	238.243	1.938	5	40	BDBB	
C[C@H](O)CCN(C)c1cccc(F)c1[N+](=O)[O-]	96429744	ISMBZJIVHVIZOQ-QMMMGPOBSA-N	242.250	1.941	5	40	BDBB	
O=C(O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	36883494	FVBVFSSLGYGGJX-UHFFFAOYSA-N	233.126	1.894	5	40	BDBB	
Cc1ncc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	71257009	WYIQLPFZSBJUCZ-UHFFFAOYSA-N	217.568	1.860	5	40	BDBB	
COc1ccc2oc(=O)c([N+](=O)[O-])c(O)c2c1	58032	CPMOVDXRQYGPSF-UHFFFAOYSA-N	237.167	1.415	5	40	BDBB	biogenic
O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1	1644780	PSEMHQVFVHHFBK-UHFFFAOYSA-N	230.223	1.805	5	40	BDBB	biogenic
CCOC(=O)C[C@@H](C)[C@@H](CC)[N+](=O)[O-]	1696836	UZHUGGMTFKMZBV-HTQZYQBOSA-N	203.238	1.631	5	40	BDBB	
O=[N+]([O-])c1c(NC2CC2)nc2ccccn12	8215915	BYZFYHWAADQRSX-UHFFFAOYSA-N	218.216	1.817	5	40	BDBB	
COc1cc(CO)c([N+](=O)[O-])cc1F	95829604	KACWXEOHUXLCPC-UHFFFAOYSA-N	201.153	1.235	5	40	BDBB	in-vitro
C[C@@H]1C(=O)NN=C1c1ccc([N+](=O)[O-])cc1	100493942	SDGQWCKSYIINAU-LURJTMIESA-N	219.200	1.065	5	40	BDBB	
CN(C)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	45297651	KBUDDKJBLRMLLJ-UHFFFAOYSA-N	234.215	1.173	5	40	BDBB	
CCOC(=O)c1cc2c([N+](=O)[O-])cc(N)cc2[nH]1	21982361	DNGUQYIRDKQBOC-UHFFFAOYSA-N	249.226	1.835	5	40	BDBB	
CCOC(=O)c1nc2cc([N+](=O)[O-])ccc2o1	100913685	XDFFACVVLUBJMJ-UHFFFAOYSA-N	236.183	1.913	5	40	BDBB	
Cc1cc(=O)c2cc([N+](=O)[O-])ccc2n1C	95951600	JINMQBOQWOHYIB-UHFFFAOYSA-N	218.212	1.755	5	40	BDBB	
CON(C)[S@](=O)c1ccc([N+](=O)[O-])cc1	5063068	RGESYEFDEYCKJA-HNNXBMFYSA-N	230.245	1.111	5	40	BDBB	
C[S@@](=N)(=O)c1ccc([N+](=O)[O-])cc1	39233507	OSHPSKAPWFEQST-CYBMUJFWSA-N	200.219	1.630	5	40	BDBB	in-vitro
CC(C)(C)OC(=O)Nc1cc([N+](=O)[O-])[nH]n1	116510473	IVSYQKCWDVZBNM-UHFFFAOYSA-N	228.208	1.665	5	40	BDBB	
Cc1ccc(-c2cc(C(=O)O)[nH]n2)cc1[N+](=O)[O-]	76819097	GXIHNVGFUPZGDP-UHFFFAOYSA-N	247.210	1.992	5	40	BDBB	
COC(=O)[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1	72207310	URHJBVNQEXEZMB-LURJTMIESA-N	224.216	1.454	5	40	BDBB	
O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2[N+](=O)[O-]	216634114	XDXSQNDERUKYLD-IAACVSQYSA-N	225.244	1.543	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C	45886587	BSCMYSZTNZWMMM-UHFFFAOYSA-N	225.204	1.877	5	40	BDBB	
O=c1nc2oc3ccc(Cl)cc3cc-2c(=O)[nH]1	16431168	FJNNJBSVJLXTPR-UHFFFAOYSA-N	248.625	1.635	5	40	BDBB	
COc1ccc([N+](=O)[O-])c2ncncc12	1593941	CMSFVHJDRBZKRY-UHFFFAOYSA-N	205.173	1.547	5	40	BDBB	
O=C(O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	12395460	SHDKECMZGJJFQA-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	
CC(C)CCNc1ncc([N+](=O)[O-])c(N)n1	48544020	BGARNCQWDWAXLN-UHFFFAOYSA-N	225.252	1.425	5	40	BDBB	
Cc1nc(N2CCN(C)CC2)ccc1[N+](=O)[O-]	94993316	HUVALTGIPRPPBS-UHFFFAOYSA-N	236.275	1.050	5	40	BDBB	
COc1cc([N+](=O)[O-])c2nc(N)sc2c1	5586362	LOIOIBDQQQUQOH-UHFFFAOYSA-N	225.229	1.795	5	40	BDBB	
CN(C)c1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]	4877695	QBSPJPAGKUPZOJ-UHFFFAOYSA-N	226.192	1.151	5	40	BDBB	
CN(C)C(=S)c1ccc([N+](=O)[O-])cc1	9188224	LTQRDDGZMJOSMC-UHFFFAOYSA-N	210.258	1.832	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])o1)N1CCCCC1	16970740	ARPKKCPMBWWWIA-UHFFFAOYSA-N	224.216	1.814	5	40	BDBB	in-vitro
O=C1CSC(Nc2cccc([N+](=O)[O-])c2)=N1	18191645	ZOGUWKDWVNVDOL-UHFFFAOYSA-N	237.240	1.636	5	40	BDBB	
Cc1nn(Cc2ccccn2)cc1[N+](=O)[O-]	97148511	JSDHYQRTVIYYNS-UHFFFAOYSA-N	218.216	1.543	5	40	BDBB	
Cc1cccc(-c2cc(N)n[nH]2)c1[N+](=O)[O-]	1535816164	AGCPQMVBKUUPEV-UHFFFAOYSA-N	218.216	1.876	5	40	BDBB	
Cc1n[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc12	85210713	QDAOOFJLFDRTDZ-UHFFFAOYSA-N	222.160	1.688	5	40	BDBB	
C[C@H]1CN[C@H](C)CN1c1ccc([N+](=O)[O-])cc1	4773291	HZFREYKCBLRUCP-ZJUUUORDSA-N	235.287	1.781	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1-c1nnc(C)o1	101206059	OOVPZAHFIJVMBW-UHFFFAOYSA-N	235.199	1.962	5	40	BDBB	
O=[N+]([O-])c1ccccc1O[C@H]1CCNC1	42782906	DGNJXGLDTNVYES-QMMMGPOBSA-N	208.217	1.336	5	40	BDBB	
NC(=O)c1ccc2c([N+](=O)[O-])cccc2n1	256051096	HRRGWBKXSJZVJY-UHFFFAOYSA-N	217.184	1.242	5	40	BDBB	
C[C@@H](NC1=NCCO1)c1cccc([N+](=O)[O-])c1	6443321	KVVHQNQNFJVBTN-MRVPVSSYSA-N	235.243	1.632	5	40	BDBB	
O=C1CCCN1c1ccc([N+](=O)[O-])c(O)c1	34887551	GRLGCHKOOUWBEV-UHFFFAOYSA-N	222.200	1.427	5	40	BDBB	
O=c1[nH]c(-c2cccnc2)ccc1[N+](=O)[O-]	95096539	UWKYPDWPZGYRHW-UHFFFAOYSA-N	217.184	1.345	5	40	BDBB	
C[C@@H](Cn1cccn1)Nc1ccc([N+](=O)[O-])cn1	42106237	BCASLTWSRADKQB-VIFPVBQESA-N	247.258	1.687	5	40	BDBB	
C[N+](C)(C)C[C@@H]1CCC[C@H](C[N+](C)(C)C)C1=O	16953030	RQVGCCGAQUDRPT-BETUJISGSA-N	242.407	1.384	5	40	BDBB	
O=[N+]([O-])c1ccc(CCN2CCNCC2)cc1	19726918	LDHDLZVIOVDTCH-UHFFFAOYSA-N	235.287	1.043	5	40	BDBB	
C[N+](C)(C)C[C@@H]1CCC[C@@H](C[N+](C)(C)C)C1=O	1616994	RQVGCCGAQUDRPT-STQMWFEESA-N	242.407	1.384	5	40	BDBB	
CCOc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]	8703241	GXIXIMYDZXXBQG-UHFFFAOYSA-N	227.176	1.484	5	40	BDBB	
CCOC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	4091109	LZAMLGBMDVNTOX-UHFFFAOYSA-N	238.199	1.096	5	40	BDBB	in-vitro
O=C(O)c1c2ccccc2nc2nc(=O)[nH]cc12	96877434	RWTCQSRWLXLAQF-UHFFFAOYSA-N	241.206	1.170	5	40	BDBB	
CC(C)NC(=S)Nc1ccc([N+](=O)[O-])cn1	13838276	CPFHKLHJKAIYPG-UHFFFAOYSA-N	240.288	1.685	5	40	BDBB	
Cc1ccc(-n2cnnc2)cc1[N+](=O)[O-]	70461537	GALBDKBCRYKSPS-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
CC[N+]1(CCCN2CCOCC2)CCCCC1	31923598	SBMMLUOUTHZGMQ-UHFFFAOYSA-N	241.399	1.729	5	40	BDBB	
Cn1cnnc1Sc1ncccc1[N+](=O)[O-]	72408202	VRUFWNHZEHYWPI-UHFFFAOYSA-N	237.244	1.270	5	40	BDBB	
CN(CCO)Cc1cccc([N+](=O)[O-])c1	49633350	RXFFAMGBOWWXNS-UHFFFAOYSA-N	210.233	1.019	5	40	BDBB	
CS(=O)(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	96510128	RAVIDQORRBULBR-VHSXEESVSA-N	241.268	1.495	5	40	BDBB	
CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1	301722	QRKJPPGNWALMOM-SECBINFHSA-N	238.243	1.096	5	40	BDBB	
COc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	15109115	ORHBVMYAXBQZJE-UHFFFAOYSA-N	236.227	1.496	5	40	BDBB	
COC(=O)c1ccc2c(c1)[N+](C)(C)CCO2	40566585	ZONQJHFFQYYVRW-UHFFFAOYSA-N	222.264	1.433	5	40	BDBB	
Cc1cc(C)n2c(=O)c3ccccc3nc2n1	15423453	ADLWZWSGSXBLLA-UHFFFAOYSA-N	225.251	1.860	5	40	BDBB	
CN(Cc1ccccc1)c1c([N+](=O)[O-])ncn1C	7124617	LPHZGJFBRVYGRJ-UHFFFAOYSA-N	246.270	1.965	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@@H]2CCCNC2)nc1	40434864	JXCQXEHHXLGBTD-SECBINFHSA-N	223.232	1.121	5	40	BDBB	
CN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1	24585677	PPGLUSIOTNPYQA-UHFFFAOYSA-N	246.270	1.965	5	40	BDBB	
Nc1cc2c(cc1[N+](=O)[O-])SCC(=O)N2	53944152	JYDAVYJFYWSNND-UHFFFAOYSA-N	225.229	1.221	5	40	BDBB	
CCOc1ccc(C(=O)O)c([N+](=O)[O-])c1	1603363	ASIBMPOSLZTHOI-UHFFFAOYSA-N	211.173	1.692	5	40	BDBB	in-vitro
O=[N+]([O-])c1nnc(Br)s1	38888112	MMLSYAVGEQIGQC-UHFFFAOYSA-N	210.012	1.209	5	40	BDBB	
C[C@@H]1O[C@@]2(CS1)C[N+]1([O-])CCC2CC1	44699399	DWWHPWWQQISZCA-BZCXBAJXSA-N	215.318	1.573	5	40	BDBB	
CCOC(=O)c1noc2ccc([N+](=O)[O-])cc12	103303339	LXXBNRPQGFVCRB-UHFFFAOYSA-N	236.183	1.913	5	40	BDBB	
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1	71978891	QAYNJNKTUBDOLT-SECBINFHSA-N	249.270	1.029	5	40	BDBB	
C[N+]1(C)[C@@H]2COC[C@H]1CC(O)(c1ccccc1)C2	71785406	KDXXRMZSQOBKCE-YIONKMFJSA-N	248.346	1.512	5	40	BDBB	
CC(=O)Nc1ccc(/C=C/[N+](=O)[O-])cc1	104555	BWLIIZFNXSJVLW-VOTSOKGWSA-N	206.201	1.892	5	40	BDBB	
COc1ccc([N+](=O)[O-])c2c1OCCO2	4837042	RRCXRLKYMHDLAB-UHFFFAOYSA-N	211.173	1.375	5	40	BDBB	
CCN(CC)CCCn1nccc1[N+](=O)[O-]	194532269	LISKIQQNJRCPPK-UHFFFAOYSA-N	226.280	1.523	5	40	BDBB	
CON(C)C(=O)c1ccc([N+](=O)[O-])cc1F	59551786	CPNAYMYMDIQRLT-UHFFFAOYSA-N	228.179	1.367	5	40	BDBB	
O=C1CCc2cc([N+](=O)[O-])cc(F)c2N1	96028860	LBDCPFWXDBCUKP-UHFFFAOYSA-N	210.164	1.619	5	40	BDBB	
NNc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	4284752	CUUQSZLMISKOHS-UHFFFAOYSA-N	222.126	1.294	5	40	BDBB	
C=CS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	37666676	XNMQSWBUDAPJJP-UHFFFAOYSA-N	231.204	1.651	5	40	BDBB	in-vitro
CC(C)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O	57979440	MREHOUTWBKTUKP-UHFFFAOYSA-N	247.254	1.961	5	40	BDBB	
Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1	143492	BYZKBOZDHYZRQF-UHFFFAOYSA-N	205.173	1.953	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccnc1NCc1cc[nH]n1	40436298	ZOTNZPZDROCMSJ-UHFFFAOYSA-N	219.204	1.325	5	40	BDBB	
CC(=O)Nc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1	1687547	DZSOXCNNXCPHKO-UHFFFAOYSA-N	239.187	1.770	5	40	BDBB	
COC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1	39382797	VKHVGMRGUCBLLC-SSDOTTSWSA-N	209.201	1.871	5	40	BDBB	in-vitro
COC(=O)c1cc(OC)cc([N+](=O)[O-])c1O	43827652	KMYXCRZYBSQHLT-UHFFFAOYSA-N	227.172	1.096	5	40	BDBB	
N=C(N)COc1ccc(Cl)cc1[N+](=O)[O-]	58081624	HOEILMDTBIZVIS-UHFFFAOYSA-N	229.623	1.563	5	40	BDBB	
CN1C(=O)C[C@@H](/C=C\[N+](=O)[O-])c2ccccc21	4990685	UQXYWWXFMLBCDV-ATJFRQLMSA-N	232.239	1.927	5	40	BDBB	
CC(=O)CC(=O)Nc1cc([N+](=O)[O-])ccc1F	6158645	OJZAMGGDMQLVDR-UHFFFAOYSA-N	240.190	1.652	5	40	BDBB	
CN(CCNc1ccc([N+](=O)[O-])cn1)C1CC1	48325733	LQPDQKZUYCOQBR-UHFFFAOYSA-N	236.275	1.496	5	40	BDBB	
Cc1ccc(-n2cnnc2)c([N+](=O)[O-])c1	70461690	SIGGRPUBSZJUPY-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
CS[C@@H]1C(=O)Nc2ccc([N+](=O)[O-])cc21	6425265	PJHFXDUFTXOAMP-QMMMGPOBSA-N	224.241	1.951	5	40	BDBB	
CCCCNC(=O)c1cc([N+](=O)[O-])cn1C	9218465	SMOVKCAQDSXNDL-UHFFFAOYSA-N	225.248	1.463	5	40	BDBB	
C[C@H]1Oc2cc([N+](=O)[O-])ccc2N(C)C1=O	20397431	GIKJVVDUPAPCAB-ZCFIWIBFSA-N	222.200	1.339	5	40	BDBB	
CC(C)CNc1ccc(C(N)=O)cc1[N+](=O)[O-]	5262129	LKIIERYXJNQFMX-UHFFFAOYSA-N	237.259	1.762	5	40	BDBB	
COc1cccc(C(=O)CC[N+](C)(C)C)c1	1571868	VRSRTZVEYXJGOB-UHFFFAOYSA-N	222.308	1.974	5	40	BDBB	in-vitro
CCn1c(C)cc(=O)n1-c1ccc([N+](=O)[O-])cc1	1601770	GAIPWDYZJUSNKM-UHFFFAOYSA-N	247.254	1.876	5	40	BDBB	
COc1ccc(C[N+](C)(C)N)cc1OC	1637926	NCHBOCSMLIUTNY-UHFFFAOYSA-N	211.285	1.154	5	40	BDBB	in-vitro
CC(=O)Nc1ccc([N+](=O)[O-])c2nc[nH]c12	4629525	VMYXUQRRBXGKGZ-UHFFFAOYSA-N	220.188	1.430	5	40	BDBB	
C[C@H](CO)Nc1sccc1[N+](=O)[O-]	97144413	OHRMACZPYQTUGM-RXMQYKEDSA-N	202.235	1.449	5	40	BDBB	
Cc1cc(N2CCNCC2)c([N+](=O)[O-])cc1F	63110921	WIKMQZJCOQEDJF-UHFFFAOYSA-N	239.250	1.452	5	40	BDBB	
O=c1oc2ccc(F)cc2c(O)c1[N+](=O)[O-]	2243262	BUONLUAASFEPJF-UHFFFAOYSA-N	225.131	1.546	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])cnc2ccccc12	1628227	MCPRYTVBUDRKJB-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
O=C(O)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	1696721	VIQQDHUBXJPCEJ-UHFFFAOYSA-N	234.167	1.343	5	40	BDBB	
COc1cc(CC[N+](=O)[O-])cc2c1OCO2	2519227	CQLKFXWLIUUMNC-UHFFFAOYSA-N	225.200	1.243	5	40	BDBB	
O=C1NCc2c(Cl)ccc([N+](=O)[O-])c21	725325984	OCLLGSMEYUXVBP-UHFFFAOYSA-N	212.592	1.492	5	40	BDBB	
O=C(NCc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1	20607383	NZKQNKFNOUBHGI-UHFFFAOYSA-N	246.226	1.248	5	40	BDBB	
O=[N+]([O-])c1cccc(Cn2cc([N+](=O)[O-])cn2)c1	71978658	UJUMIVISOHAEHP-UHFFFAOYSA-N	248.198	1.748	5	40	BDBB	
COc1ccc(OC)c([N+](=O)[O-])c1CO	44198647	VWGITNTZWHALGM-UHFFFAOYSA-N	213.189	1.104	5	40	BDBB	
O=Cc1ccc(N2CCCCC2=O)c([N+](=O)[O-])c1	199770999	JSIZHNVSLVCASG-UHFFFAOYSA-N	248.238	1.924	5	40	BDBB	
COc1cc([N+](=O)[O-])c2ncccc2c1O	5607241	QAICTYKDANKDKI-UHFFFAOYSA-N	220.184	1.857	5	40	BDBB	
CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1O	57294244	WSTGWRPFOVGSOY-UHFFFAOYSA-N	238.243	1.829	5	40	BDBB	
Cc1c([N+](=O)[O-])c(C(F)F)nn1CCC(=O)O	408716331	LPWBZHQZAUEULD-UHFFFAOYSA-N	249.173	1.512	5	40	BDBB	
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	4343573	ASODNZCPFZQUKR-UHFFFAOYSA-N	214.133	1.217	5	40	BDBB	biogenic
O=C(O)/C=C/c1cccc([N+](=O)[O-])c1O	2504918	NBECSRZXAMQLLS-SNAWJCMRSA-N	209.157	1.398	5	40	BDBB	
O=[N+]([O-])c1c(Cl)ncnc1C(F)F	217534890	DLDMZUGRMZMTDS-UHFFFAOYSA-N	209.539	1.976	5	40	BDBB	
O=C(O)c1cc(O)n(-c2cccc([N+](=O)[O-])c2)n1	77425695	RQAWRXMLZIWQRI-UHFFFAOYSA-N	249.182	1.184	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Sc1ccncn1	480498	LDAZFWARDNTLSI-UHFFFAOYSA-N	237.244	1.270	5	40	BDBB	
CC(C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-]	72209602	VDJZKLKOVODVJJ-UHFFFAOYSA-N	200.154	1.280	5	40	BDBB	
N[C@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1	62720089	BDODHZJYDQSNBY-SSDOTTSWSA-N	228.635	1.510	5	40	BDBB	
Cn1cc([N+](=O)[O-])nc1C(=O)OC(C)(C)C	15440749	YILGOBSGMYVRDB-UHFFFAOYSA-N	227.220	1.284	5	40	BDBB	
O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2O)n1	40517237	DSPUTYZFIRGJDL-YUMQZZPRSA-N	211.221	1.267	5	40	BDBB	
CC(=O)CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	6262281	NIOLEIIQJCLWMW-UHFFFAOYSA-N	240.190	1.652	5	40	BDBB	
Cc1cc(N2CCCNCC2)ccc1[N+](=O)[O-]	15443271	ZXWIRAVMKNGJDH-UHFFFAOYSA-N	235.287	1.703	5	40	BDBB	
COCCSc1c([N+](=O)[O-])c(C)nn1C	96436778	CLMDQSMTWGZUNG-UHFFFAOYSA-N	231.277	1.375	5	40	BDBB	
O=[N+]([O-])[C@H]1Cc2ccccc2C[C@@H]1[N+](=O)[O-]	100717766	NNPGXYAKOPSUAI-UWVGGRQHSA-N	222.200	1.076	5	40	BDBB	
NCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5338036	WQYQCAZWHZNUGX-UHFFFAOYSA-N	240.219	1.264	5	40	BDBB	
CCOC(=O)C[C@H](O)c1cccc([N+](=O)[O-])c1	500006	YVYAPSFBICVSJV-JTQLQIEISA-N	239.227	1.581	5	40	BDBB	
CN(C)CCNCc1ccc([N+](=O)[O-])cc1	20056958	YOEVEYQQUXHSQY-UHFFFAOYSA-N	223.276	1.246	5	40	BDBB	
Cc1ccnc(N2CC(N(C)C)C2)c1[N+](=O)[O-]	89701875	URRJAYLHIHOLTN-UHFFFAOYSA-N	236.275	1.048	5	40	BDBB	
CCCN1Cc2cc([N+](=O)[O-])ccc2CC1=O	256053390	RGEDETFJGOMENU-UHFFFAOYSA-N	234.255	1.890	5	40	BDBB	
O=[N+]([O-])c1ccc([C@@H](O)Nc2nccs2)o1	1659805	ZYVRRCBSSUWULH-SSDOTTSWSA-N	241.228	1.747	5	40	BDBB	
CCN(CC1CC1)Cn1cc([N+](=O)[O-])cn1	69797365	SFHDTRYFCDSZAQ-UHFFFAOYSA-N	224.264	1.481	5	40	BDBB	
CC[C@H](C)n1cc([N+](=O)[O-])c(C(=O)O)n1	229733283	YXQXOXTWDFRIFM-YFKPBYRVSA-N	213.193	1.461	5	40	BDBB	
CCOC(=O)[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1	1598729	FSOMTKWIEYZQMG-UWVGGRQHSA-N	237.211	1.598	5	40	BDBB	
C[C@H]1CNCCN1c1ccc([N+](=O)[O-])cc1	54374829	MSOLFNXBYZHSKJ-VIFPVBQESA-N	221.260	1.393	5	40	BDBB	
C/C=C/S(=O)(=O)c1ccc([N+](=O)[O-])cc1	4704600	IPMLCLMZFWTSMA-FARCUNLSSA-N	227.241	1.902	5	40	BDBB	
CN1CCN(c2cc(F)cc([N+](=O)[O-])c2)CC1	98181677	XKZCRNRLAKLTKX-UHFFFAOYSA-N	239.250	1.486	5	40	BDBB	
Cc1c([N+](=O)[O-])cnn1CC(F)(F)F	675032235	VMSARWLYUFTCCK-UHFFFAOYSA-N	209.127	1.662	5	40	BDBB	
Cn1cnnc1CNc1ccccc1[N+](=O)[O-]	37982829	GONOSHRBTWTNPN-UHFFFAOYSA-N	233.231	1.335	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(CO)c1OC(F)F	78406261	SMSIJCFPOYNDGB-UHFFFAOYSA-N	249.169	1.697	5	40	BDBB	
CC(=O)OCCc1ccc([N+](=O)[O-])cc1	1732391	PZCUSZBIRGTJPZ-UHFFFAOYSA-N	209.201	1.700	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1N1CCOC1=O	71790362	AHLSIJYTTLZBJB-UHFFFAOYSA-N	222.200	1.860	5	40	BDBB	
O=[N+]([O-])c1ccc(CNC2COC2)cc1	82488105	FFSSACDJAKUXMN-UHFFFAOYSA-N	208.217	1.083	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])n1	2507199	ZXEQNAJFLDCBQY-UHFFFAOYSA-N	203.541	1.551	5	40	BDBB	
CN(C)CCCNCc1ccc([N+](=O)[O-])cc1	57362372	GESDVFYOEWMINB-UHFFFAOYSA-N	237.303	1.636	5	40	BDBB	
Cc1ccnc(SCCN(C)C)c1[N+](=O)[O-]	89701884	AHSJBJOAXQXHON-UHFFFAOYSA-N	241.316	1.952	5	40	BDBB	
CS(=O)(=O)Cc1ccsc1[N+](=O)[O-]	96532758	KJFZTXTXMLYGBT-UHFFFAOYSA-N	221.259	1.201	5	40	BDBB	
O=C(O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]	4202243	HCSBTDBGTNZOAB-UHFFFAOYSA-N	212.117	1.201	5	40	BDBB	
O=[N+]([O-])c1ccc(SCCO)c([N+](=O)[O-])c1	8080004	GMOQLVDVIQDFSM-UHFFFAOYSA-N	244.228	1.587	5	40	BDBB	
CC(C)[C@@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O	58235281	SMJARLHOPSGEJK-JTQLQIEISA-N	236.227	1.950	5	40	BDBB	
C[C@H](Cn1cc([N+](=O)[O-])c(C(F)F)n1)C(=O)O	408717427	ZUQAIFKLCUDCJH-SCSAIBSYSA-N	249.173	1.450	5	40	BDBB	
Cc1ccc(C(=O)c2nn(C)cc2[N+](=O)[O-])cc1	368734	SAPZVWPLJLMRSU-UHFFFAOYSA-N	245.238	1.868	5	40	BDBB	
CC(C)[C@H]1Oc2ccc([N+](=O)[O-])cc2NC1=O	58235279	SMJARLHOPSGEJK-SNVBAGLBSA-N	236.227	1.950	5	40	BDBB	
CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C	37023974	JVEHKKSWXQHIEC-UHFFFAOYSA-N	244.272	1.201	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1C(OC)OC	1847237	RKGDTKFMCVWVHB-UHFFFAOYSA-N	227.216	1.895	5	40	BDBB	
COC[C@H](O)CNc1ccc([N+](=O)[O-])cc1	70590042	ZDNIHHPJWKFYHU-SNVBAGLBSA-N	226.232	1.014	5	40	BDBB	
CCOc1ccc(-n2cnnc2)cc1[N+](=O)[O-]	70461539	OWPMSLAGVIHFSI-UHFFFAOYSA-N	234.215	1.574	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1OC1COC1	71791970	QBPMXMSRGGDAPV-UHFFFAOYSA-N	213.164	1.512	5	40	BDBB	
O=c1ccc2c([N+](=O)[O-])c(F)ccc2[nH]1	85399965	HQJYJRHZLQBIOX-UHFFFAOYSA-N	208.148	1.575	5	40	BDBB	
O=C(NCC(F)(F)F)c1ccc([N+](=O)[O-])o1	42236814	WXULMDOBQSMPKS-UHFFFAOYSA-N	238.121	1.480	5	40	BDBB	
CCCn1cnc2ccc([N+](=O)[O-])cc2c1=O	25056147	LPKAJDAUXDYWCM-UHFFFAOYSA-N	233.227	1.715	5	40	BDBB	
Nc1cc(-n2ccnc2)c(F)cc1[N+](=O)[O-]	12505877	JPUAGHMSXTVEGG-UHFFFAOYSA-N	222.179	1.502	5	40	BDBB	in-vitro
CCOC(=O)Cc1ccc(O)c([N+](=O)[O-])c1	39366369	LUJDSSIRFZIAEZ-UHFFFAOYSA-N	225.200	1.406	5	40	BDBB	
Cc1nc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])sc1C	47247874	BWNHCDJOCXQLDN-NKWVEPMBSA-N	241.272	1.364	5	40	BDBB	
C[N+](C)(N)Cc1cc(Cl)cc2c1OCOC2	5211910	WFOSVHFIEMPKJW-UHFFFAOYSA-N	243.714	1.657	5	40	BDBB	
O=c1n2ccccc2nc2nc3ccccc3n12	13219919	GCBVZMDYRDNOCM-UHFFFAOYSA-N	236.234	1.495	5	40	BDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCl	4712489	PYRPIDACZZLTBU-UHFFFAOYSA-N	236.636	1.027	5	40	BDBB	biogenic
O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])OCO2	4837050	PAHDCKCVXHLYQB-UHFFFAOYSA-N	212.117	1.232	5	40	BDBB	
O=C(NCCCO)Nc1ccccc1[N+](=O)[O-]	12777212	LWHIXODTRPOXLW-UHFFFAOYSA-N	239.231	1.099	5	40	BDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1	48275910	NAMSIHWISBQROM-ZETCQYMHSA-N	228.273	1.881	5	40	BDBB	
CN1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C1=O	75053436	GQDFIJVRICMVOT-LLVKDONJSA-N	249.270	1.262	5	40	BDBB	
O=C1NC[C@@H](Cc2ccc([N+](=O)[O-])cc2)O1	26892468	JZCXNKOWDRDJCY-SECBINFHSA-N	222.200	1.246	5	40	BDBB	
Cc1c([N+](=O)[O-])oc2c1C(=O)NCCC2	1565460	WDKROQKNZOYXFR-UHFFFAOYSA-N	210.189	1.172	5	40	BDBB	
COC(=O)CC(=O)Cc1ccccc1[N+](=O)[O-]	36421480	MOOOUTARLRWKAA-UHFFFAOYSA-N	237.211	1.270	5	40	BDBB	
CN1C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C1=O	211870259	CRZWWNUXEWWIAT-RMKNXTFCSA-N	247.210	1.117	5	40	BDBB	
CCOC(=O)C(=O)c1cccc([N+](=O)[O-])c1	84922739	CFWVQGBIXFBSCM-UHFFFAOYSA-N	223.184	1.341	5	40	BDBB	
C[N+](C)(C)C[C@H](O)COC1CCCCC1	1459993	FVJKOALLUKPKGW-NSHDSACASA-N	216.345	1.403	5	40	BDBB	
O=C(OC1CSC1)c1ccc([N+](=O)[O-])cc1	38025	PPEJZJCQSSRSPN-UHFFFAOYSA-N	239.252	1.867	5	40	BDBB	
CCOc1ccc(CC(=O)OC)cc1[N+](=O)[O-]	20134083	OTYYDORVNGHRLY-UHFFFAOYSA-N	239.227	1.709	5	40	BDBB	
COC(=O)[C@H](C)c1ccc(N)c([N+](=O)[O-])c1	72207311	URHJBVNQEXEZMB-ZCFIWIBFSA-N	224.216	1.454	5	40	BDBB	
CCOC(=O)c1ccccc1CC[N+](=O)[O-]	1857793853	JLRHKPGZHVZCDR-UHFFFAOYSA-N	223.228	1.683	5	40	BDBB	
Cn1cc(NC(=O)c2ccccc2[N+](=O)[O-])cn1	25307008	CHMYLQAEQNTFSS-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
OC12CC[N+](Cc3ccccc3)(CC1)CC2	1716922	GHAQKPULYUDBDP-UHFFFAOYSA-N	218.320	1.932	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1N1CCOCC1=O	98177631	WZHAJQYICHZCDZ-UHFFFAOYSA-N	236.227	1.266	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])cnn1Cc1ccccc1	96675765	DWTPEZAMTWWCPX-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
CSc1nc([N+](=O)[O-])c2cnccn12	13281725	BWRBVGWJITUUMA-UHFFFAOYSA-N	210.218	1.359	5	40	BDBB	
CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1	26897302	HWFULSRWSFXIFQ-QMMMGPOBSA-N	210.233	1.778	5	40	BDBB	
NCc1ccc([N+](=O)[O-])c(Br)c1	199713082	CWOLHJQUPKNBGH-UHFFFAOYSA-N	231.049	1.816	5	40	BDBB	
COc1ccc2[nH]c3c(cnn4cnnc34)c2c1	6411856	RKPUFYRAGXHCML-UHFFFAOYSA-N	239.238	1.767	5	40	BDBB	
CC[C@@H](CO)Nc1ncccc1[N+](=O)[O-]	20324450	QFLBKHPMXRMHKE-ZETCQYMHSA-N	211.221	1.173	5	40	BDBB	
CCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	1719013	CIXQCVNMEAPWFG-UHFFFAOYSA-N	212.161	1.771	5	40	BDBB	
CC1CCC(O)(Cn2cnc([N+](=O)[O-])n2)CC1	96484765	KNFCHYFTKPXCLR-UHFFFAOYSA-N	240.263	1.128	5	40	BDBB	
COc1ccc(-c2cc(N)[nH]n2)cc1[N+](=O)[O-]	5593394	HQIRLWXGGJBYDL-UHFFFAOYSA-N	234.215	1.576	5	40	BDBB	
Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccn1	9476940	NJYHBZXZDLXNCH-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
Nc1ccccc1-n1cc([N+](=O)[O-])cn1	12396987	WSBBKVNZCJZPBV-UHFFFAOYSA-N	204.189	1.363	5	40	BDBB	
Cc1cccc(C(=O)NC2CC2)c1[N+](=O)[O-]	17120819	FWJGVJQFFQXUSV-UHFFFAOYSA-N	220.228	1.795	5	40	BDBB	
NC1CCN(c2c(F)cccc2[N+](=O)[O-])CC1	67800826	OUKMEOMXQRIONT-UHFFFAOYSA-N	239.250	1.661	5	40	BDBB	
Cc1nc2ncc3c4ccnn4ccc3n2n1	95115674	RRQSASPHXXKLLA-UHFFFAOYSA-N	224.227	1.234	5	40	BDBB	
CN(C)C(=O)N[C@@H]1CCc2ccc([N+](=O)[O-])cc21	5328416	RVMQHSSUNBLCQT-LLVKDONJSA-N	249.270	1.853	5	40	BDBB	
CS/C(=C/[N+](=O)[O-])NC(=O)c1ccccc1	385704	JLOLYBMOWPJTJA-VQHVLOKHSA-N	238.268	1.855	5	40	BDBB	
O=[N+]([O-])c1cccnc1I	21990587	DGUAYSMTXILGJD-UHFFFAOYSA-N	249.995	1.594	5	40	BDBB	
CC1=N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O1	129264	ABNNCLKVUMXLSZ-UXBLZVDNSA-N	232.195	1.911	5	40	BDBB	
Cc1nn2c(=S)[nH]c3ccccc3c2nc1=O	12536956	WSLXGNBYDYVUKE-UHFFFAOYSA-N	244.279	1.609	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2nnc3ccccc32)nc1	13207967	PPIGGSPZOUERAQ-UHFFFAOYSA-N	241.210	1.724	5	40	BDBB	
O=C(O)C1(c2ccccc2[N+](=O)[O-])CC1	44689820	KJBSVTAYVZKMDM-UHFFFAOYSA-N	207.185	1.711	5	40	BDBB	
CN(C)CC(=O)c1cccc([N+](=O)[O-])c1	34989542	LGEMCUBERRKMOK-UHFFFAOYSA-N	208.217	1.339	5	40	BDBB	
C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1cccnc1	40454596	OXBKZHYUUSLBJQ-MRVPVSSYSA-N	245.242	1.953	5	40	BDBB	
NCCCCNc1ccc([N+](=O)[O-])c(N)c1	4180812	KSINODFKTMLZPY-UHFFFAOYSA-N	224.264	1.328	5	40	BDBB	
COC(=O)c1c(C)cc(C)cc1[N+](=O)[O-]	95635093	HWSFSPBEOCPHHS-UHFFFAOYSA-N	209.201	1.998	5	40	BDBB	in-vitro
C[N+](C)(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	207088	DWXTUOMQINKDRD-LLVKDONJSA-N	225.268	1.334	5	40	BDBB	
C[C@@H](Sc1ncccc1[N+](=O)[O-])C(=O)O	80930	MUDNTVKNHDLQJN-RXMQYKEDSA-N	228.229	1.555	5	40	BDBB	
O=[N+]([O-])c1ccc(Sc2ncn[nH]2)cc1	9142804	CLHHYJCQBWUWRV-UHFFFAOYSA-N	222.229	1.864	5	40	BDBB	
CNCc1cc2c(cc1[N+](=O)[O-])OCO2	61554961	ZZNMPUODEPHEOF-UHFFFAOYSA-N	210.189	1.043	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])nn1Cc1ccccc1	1437991	GOCFKHJXPFKGHX-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC2)c([N+](=O)[O-])c1	23618385	NGNXOHWXHIIHJJ-UHFFFAOYSA-N	223.188	1.713	5	40	BDBB	
O=C(O)[C@H]1COc2ccc([N+](=O)[O-])cc2C1	40162405	NZZVJUVOFZCXIW-SSDOTTSWSA-N	223.184	1.231	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(NC[C@H]2CCCO2)n1	95098542	DJCJGHJOBLIWHX-MRVPVSSYSA-N	240.263	1.402	5	40	BDBB	
CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	34502254	SAVKIDNFZIWZGU-UHFFFAOYSA-N	233.227	1.784	5	40	BDBB	
Cc1ccc(Cn2cnc([N+](=O)[O-])n2)c(C)c1	5296876	LSODQPLWVNWNAA-UHFFFAOYSA-N	232.243	1.851	5	40	BDBB	
COc1cc(F)c([N+](=O)[O-])c(N[C@H](C)CO)c1	97144406	GYEPZRLPDMJZBY-ZCFIWIBFSA-N	244.222	1.535	5	40	BDBB	
O=C1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	75110646	CFIXFLHFRWDSGP-ZETCQYMHSA-N	209.205	1.476	5	40	BDBB	in-vitro
O=[N+]([O-])c1c(-n2ccnc2)nc2ccccn12	21673567	NIZGBXRJWULUMT-UHFFFAOYSA-N	229.199	1.428	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CC[C@H](O)C1	61707394	JDWQVNNJWQAGHE-QMMMGPOBSA-N	208.217	1.166	5	40	BDBB	
O=[N+]([O-])c1cccc(O[C@@H]2CCCNC2)c1	14631810	KEZVNFHKMNOBOA-LLVKDONJSA-N	222.244	1.726	5	40	BDBB	in-vitro
CC[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	5638105	HXSPTRBMKFDKOS-SSDOTTSWSA-N	237.259	1.904	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CCS(=O)CC1	69584033	QRLFZIAYYSEZMI-UHFFFAOYSA-N	240.284	1.164	5	40	BDBB	
CN1CCN(c2c(F)cccc2[N+](=O)[O-])CC1	67800533	WIAGMIDRHKDTGU-UHFFFAOYSA-N	239.250	1.486	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	113916980	YNOPZLWHBMWCPX-UHFFFAOYSA-N	246.562	1.855	5	40	BDBB	
O=c1ccccn1Cc1c(F)cccc1[N+](=O)[O-]	69704919	GQAQODWYAPFCFT-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
CN(N)c1ncc([N+](=O)[O-])cc1Br	199542706	HPSKXDMMHYGHHT-UHFFFAOYSA-N	247.052	1.062	5	40	BDBB	
Nc1ccc2nc3c(N)cccc3nc2c1	5161745	FRPNYDRHOLAYDZ-UHFFFAOYSA-N	210.240	1.947	5	40	BDBB	
CCOC(=O)c1cccc(F)c1[N+](=O)[O-]	36448888	GISOWGLYGNGJHV-UHFFFAOYSA-N	213.164	1.911	5	40	BDBB	in-vitro
CCc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	68675281	HPSIVQOMPYCABJ-UHFFFAOYSA-N	240.171	1.764	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)c(-n2cnnn2)c1	1434286	ZABYGASPJHTDSZ-UHFFFAOYSA-N	225.595	1.224	5	40	BDBB	
CCCC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-]	1857389	UVQNPQKYHXQSAY-UHFFFAOYSA-N	247.247	1.532	5	40	BDBB	
O=C(O)c1coc(-c2ccccc2[N+](=O)[O-])n1	51075332	YIHZXVATKVZYOP-UHFFFAOYSA-N	234.167	1.948	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1-n1cccn1	54269749	FHXBEVFRLMZWCJ-UHFFFAOYSA-N	207.164	1.920	5	40	BDBB	
CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1	5424321	WOHWOLOQUMYMJQ-UHFFFAOYSA-N	226.257	1.676	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc2n[nH]cc12	14983680	YAHBWBBCYGPFHL-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(Cl)cc1N1CC[C@@H](O)C1	130863669	BQLHSUSAZAWUNS-MRVPVSSYSA-N	242.662	1.819	5	40	BDBB	
C[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	2035300	WKUGOUZCTFUAKO-LURJTMIESA-N	249.675	1.736	5	40	BDBB	
CC(C)(C)c1n[nH]c(C(=O)O)c1[N+](=O)[O-]	66442652	OLPKIOKCWXMRHE-UHFFFAOYSA-N	213.193	1.314	5	40	BDBB	
C[C@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1	35200082	KOJFWKHQILAPNP-SSDOTTSWSA-N	239.231	1.097	5	40	BDBB	
CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2	28310373	FPEIFEJQUTZDHK-UHFFFAOYSA-N	239.183	1.500	5	40	BDBB	
COC[n+]1cccc([C@@H]2CCC[N+]2(C)C)c1	1563615	YJCUCEDVPHWWMV-ZDUSSCGKSA-N	222.332	1.489	5	40	BDBB	
Nc1nc(Sc2ccc([N+](=O)[O-])cc2)n[nH]1	30823060	KOSBJUXQMCILPH-UHFFFAOYSA-N	237.244	1.446	5	40	BDBB	
Cc1c(C(=O)O)nnn1-c1cccc([N+](=O)[O-])c1	12505327	VKYUNNZXZFGGND-UHFFFAOYSA-N	248.198	1.182	5	40	BDBB	
Cc1cc(CC(=O)O)c([N+](=O)[O-])cc1F	63110911	LVSYQTSSCMAZMC-UHFFFAOYSA-N	213.164	1.669	5	40	BDBB	
CO/C=C(/F)C(=O)Nc1cccc([N+](=O)[O-])c1	98175027	BWMBUXJULGJUKO-RMKNXTFCSA-N	240.190	1.991	5	40	BDBB	
C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)O	35388282	COVATTUBIHNQFA-ZETCQYMHSA-N	224.216	1.158	5	40	BDBB	
Cc1cccc(-c2nnc(N)o2)c1[N+](=O)[O-]	8655132	JIDPKXBZVPAPOK-UHFFFAOYSA-N	220.188	1.535	5	40	BDBB	
CCNC(=O)c1cc([N+](=O)[O-])ccc1OC	12770680	UWJZUMUETUKBFE-UHFFFAOYSA-N	224.216	1.353	5	40	BDBB	
COc1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1	96527466	QKFVTRWDDNUZSD-UHFFFAOYSA-N	219.200	1.994	5	40	BDBB	
NCCCc1c[nH]c2cccc([N+](=O)[O-])c12	1857793152	VFTGXSMVVATZEA-UHFFFAOYSA-N	219.244	1.967	5	40	BDBB	
CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O	35410940	OKDQWLMELQKRCE-VIFPVBQESA-N	224.216	1.870	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc(S)s2)o1	1042054	XASNJDVTZFCZPT-UHFFFAOYSA-N	229.242	1.995	5	40	BDBB	biogenic
Cc1[nH]c2ccccc2c(=O)c1CC[N+](=O)[O-]	227163309	UWHDOCURJPKVEG-UHFFFAOYSA-N	232.239	1.656	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c1	45886672	DWTLUOIUPZTFIG-UHFFFAOYSA-N	225.204	1.877	5	40	BDBB	
CC(C)(CNc1ccc(C(=O)O)cc1)[N+](=O)[O-]	1727651	WWYIFMPGELNHKZ-UHFFFAOYSA-N	238.243	1.852	5	40	BDBB	
CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC	1646699	NHWGPUVJQFTOQX-UHFFFAOYSA-N	231.428	1.111	5	40	BDBB	in-man
O=C1CCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	6092876	WOBQJJNDLQXMSQ-UHFFFAOYSA-N	234.211	1.244	5	40	BDBB	
C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4358710	MIHIEAVBDFASSU-ZCFIWIBFSA-N	241.203	1.296	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@H]2CCCCO2)nc1	67802470	RNEHHMCDKCMMJP-SNVBAGLBSA-N	238.243	1.938	5	40	BDBB	
CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C	37023625	FSCGKCHIKUZICV-UHFFFAOYSA-N	244.272	1.201	5	40	BDBB	
Cc1n[nH]c(-c2ccccc2[N+](=O)[O-])n1	40164184	UPRPOIQXWYOUMD-UHFFFAOYSA-N	204.189	1.688	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(NCCCOC)n1	95098510	OGRUPJSPKMHECL-UHFFFAOYSA-N	228.252	1.260	5	40	BDBB	
C/C=C(/C)C(=O)OC[C@H]1CC[N+](C)([O-])C1	5566256	VCASXRNIMTULLQ-VIBZALQYSA-N	213.277	1.460	5	40	BDBB	
Nc1nccc(-c2cc([N+](=O)[O-])ccc2O)n1	15022182	HLXSALGLCZLPOI-UHFFFAOYSA-N	232.199	1.340	5	40	BDBB	
COC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	12397088	VWTWYPALNCSEPL-UHFFFAOYSA-N	247.210	1.567	5	40	BDBB	
CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1	37248249	FYLYFAXPUULTJO-UHFFFAOYSA-N	236.275	1.496	5	40	BDBB	
O=[N+]([O-])c1cnc(NCCO)c(Cl)c1	40566577	HUUGGYPTLGOYRG-UHFFFAOYSA-N	217.612	1.047	5	40	BDBB	
O=C(O)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]	2172990	VVQOEJCXWMGEJG-UHFFFAOYSA-N	246.562	1.855	5	40	BDBB	
C=CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	36334718	AJVUTSFFBDUAPK-UHFFFAOYSA-N	222.200	1.728	5	40	BDBB	in-vitro
COc1cc(NC(C)=O)c(C)cc1[N+](=O)[O-]	42684367	UNGJDCICXXTFHD-UHFFFAOYSA-N	224.216	1.870	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc2nncc(N3CC3)c2c1	4758415	UTMYGLTWZPNOGR-UHFFFAOYSA-N	216.200	1.358	5	40	BDBB	
Cn1ncc2[nH]c3cc([N+](=O)[O-])ccc3c(=O)c21	5322907	HNNWJBJUXNTJGZ-UHFFFAOYSA-N	244.210	1.323	5	40	BDBB	
O=C(c1cc([N+](=O)[O-])c[nH]1)C(F)(F)F	15782349	JHYFBRPXJIDVJS-UHFFFAOYSA-N	208.095	1.668	5	40	BDBB	
N[C@H](C(=O)O)c1cc(Cl)ccc1[N+](=O)[O-]	72196414	PBNLRCBRYBWKKX-ZETCQYMHSA-N	230.607	1.333	5	40	BDBB	
Cc1nc2cc([N+](=O)[O-])ccc2[nH]c1=O	95116700	ZCIHDCPZGZHLOG-UHFFFAOYSA-N	205.173	1.140	5	40	BDBB	
Cn1ccnc1Sc1ccc([N+](=O)[O-])cn1	20031925	WRRJMLGSGPKDCO-UHFFFAOYSA-N	236.256	1.875	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CCC(O)CC1	25845300	KZOYITKRTOGOQH-UHFFFAOYSA-N	222.244	1.556	5	40	BDBB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CC1	6331598	HMRDSJZRFJPHKS-QPJJXVBHSA-N	232.239	1.887	5	40	BDBB	
CN(c1ncccc1[N+](=O)[O-])C1CCC1	71924268	VCJXQYKJWBTHHJ-UHFFFAOYSA-N	207.233	1.979	5	40	BDBB	
COC(=O)c1n[nH]c2cc([N+](=O)[O-])c(C)cc12	265540623	KKLTXVPOFWVXGP-UHFFFAOYSA-N	235.199	1.566	5	40	BDBB	
COc1c(F)cc(CO)cc1[N+](=O)[O-]	145780738	JCMXBJANPKBLLO-UHFFFAOYSA-N	201.153	1.235	5	40	BDBB	
CCn1[nH]c2ccc([N+](=O)[O-])cc2c1=O	1775968704	SDUXGAFERALQRP-UHFFFAOYSA-N	207.189	1.258	5	40	BDBB	
O=C(O)C[C@@H](C[N+](=O)[O-])c1ccccc1F	57517552	ZKNZMZFLJCJEOS-ZETCQYMHSA-N	227.191	1.661	5	40	BDBB	
Cc1c(OCC(=O)O)cccc1[N+](=O)[O-]	35282900	APUCWHLALOFKQE-UHFFFAOYSA-N	211.173	1.367	5	40	BDBB	in-vitro
C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	37632038	WJUGEERCZOQFJC-SSDOTTSWSA-N	210.189	1.803	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(C)cc1-n1cnnn1	408720601	WKFUVVVVHHKGJG-UHFFFAOYSA-N	219.204	1.187	5	40	BDBB	
O=[N+]([O-])c1ccc(O)c(C2OCCCO2)c1	90713948	DRGPRKWHEOQFQQ-UHFFFAOYSA-N	225.200	1.736	5	40	BDBB	
CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	369459	FFBUYJAHSNPQDH-UHFFFAOYSA-N	220.184	1.211	5	40	BDBB	
Cc1c([N+](=O)[O-])cc(C(=O)O)c(O)c1C	57339453	BLNIDZCASLLVTR-UHFFFAOYSA-N	211.173	1.615	5	40	BDBB	
CCOc1nc(C)nc(OCC)c1[N+](=O)[O-]	85207969	CQGWCUUYKYOVKK-UHFFFAOYSA-N	227.220	1.491	5	40	BDBB	
CCNC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	24233305	OGCWOYYOZFSOGO-UHFFFAOYSA-N	239.231	1.745	5	40	BDBB	
COC[C@H](O)CNc1ccc([N+](=O)[O-])c(C)c1	71271428	AGIKGVJBQCRBFB-SNVBAGLBSA-N	240.259	1.322	5	40	BDBB	
CNc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	8014987	XWTXCOQNEYZNSZ-UHFFFAOYSA-N	235.243	1.529	5	40	BDBB	
CCNC(=O)CNc1ccc(F)c([N+](=O)[O-])c1	9951210	ZCUUHFYQMHFXQG-UHFFFAOYSA-N	241.222	1.282	5	40	BDBB	
O=c1c([N+](=O)[O-])c(O)ccn1[C@H]1CCCCO1	256053999	UNPABVNIUTZJIT-MRVPVSSYSA-N	240.215	1.161	5	40	BDBB	
COC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	9923929	UHUDTAQUGQEPRL-UHFFFAOYSA-N	224.216	1.447	5	40	BDBB	
Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)cn1	611190429	KCWRAYURCAGEOU-UHFFFAOYSA-N	245.238	1.508	5	40	BDBB	
Nc1ccc2nc3c(N)ccc(N)c3nc2c1	4773539	KTVHNJDBAJDMMM-UHFFFAOYSA-N	225.255	1.530	5	40	BDBB	
O=[N+]([O-])c1ccc(CCN2CC[C@@H](O)C2)cc1	61708271	JKOWMDIPYUTDPO-GFCCVEGCSA-N	236.271	1.204	5	40	BDBB	
Cc1nc(C)c([N+](=O)[O-])c(O)c1[N+](=O)[O-]	35569858	GSCRIRIDISHTJY-UHFFFAOYSA-N	213.149	1.220	5	40	BDBB	
O=[N+]([O-])c1ncn(CCc2ccccc2F)n1	390835041	BGCAHHKOPKWAJU-UHFFFAOYSA-N	236.206	1.568	5	40	BDBB	
CCOC(=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1	500007	YVYAPSFBICVSJV-SNVBAGLBSA-N	239.227	1.581	5	40	BDBB	
C[N+]1(C[C@H](O)c2ccccc2)CCCC1	6519725	MBHJRPZVQHLMOL-ZDUSSCGKSA-N	206.309	1.960	5	40	BDBB	
C[C@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1	54370656	MTEYNBJQZLKPSB-VIFPVBQESA-N	249.270	1.029	5	40	BDBB	
CC(C)n1cc([N+](=O)[O-])c(N2CCOCC2)n1	95098494	CGTXGTSPGLDMBU-UHFFFAOYSA-N	240.263	1.209	5	40	BDBB	
Nc1c([N+](=O)[O-])cnn1CC(=O)c1ccccc1	5515501	XUYSYHPBQZNURX-UHFFFAOYSA-N	246.226	1.256	5	40	BDBB	
Cc1cc(C)c2c(n1)oc1c2ncn2nnnc12	5337023	HPABSVYWFWVZPN-UHFFFAOYSA-N	240.226	1.431	5	40	BDBB	
CN1CCCN[C@H]1c1ccc([N+](=O)[O-])cc1	19323794	TUWKNGQRPDOYLG-LLVKDONJSA-N	221.260	1.519	5	40	BDBB	
O=[N+]([O-])c1ccc(Br)n2ncnc12	888084636	OEOVKUHXCSXQSA-UHFFFAOYSA-N	243.020	1.400	5	40	BDBB	
COc1cc(C=O)c(OC)c([N+](=O)[O-])c1	34619708	SSAQZDIQGZMYFA-UHFFFAOYSA-N	211.173	1.425	5	40	BDBB	
Nc1nnc(-c2ccc([N+](=O)[O-])cc2Cl)o1	40350633	NQJHXDWFVYNYAJ-UHFFFAOYSA-N	240.606	1.880	5	40	BDBB	
C[C@@H]1CN(C)CCN1Cc1ccccc1[N+](=O)[O-]	70037389	MGFDLYFQEWFRCE-LLVKDONJSA-N	249.314	1.731	5	40	BDBB	
CC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1	5505808	FXPSKSZDZMYNHZ-UHFFFAOYSA-N	238.199	1.096	5	40	BDBB	
Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-]	91301609	PVCDQWOCSKSIQG-UHFFFAOYSA-N	207.111	1.591	5	40	BDBB	in-vitro
CC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]	1677685	FWLJWRLEBQQLSX-UHFFFAOYSA-N	209.157	1.496	5	40	BDBB	
C[C@@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1	2046036	NCVICLUIKKDLGU-SSDOTTSWSA-N	206.201	1.760	5	40	BDBB	
CCOC(=O)/C=C/c1cccc([N+](=O)[O-])c1O	34606753	ZFODYTUMAHNITH-VOTSOKGWSA-N	237.211	1.877	5	40	BDBB	
NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	79420874	PSKLVXRJYBIKFM-UHFFFAOYSA-N	249.270	1.045	5	40	BDBB	
COC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	20297324	ULUUYDFFEJMKES-UHFFFAOYSA-N	235.199	1.118	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2cccs2)N1	88839	NXGSXROJOVXBSB-HZGVNTEJSA-N	226.257	1.345	5	40	BDBB	
CNc1cc(Cl)c2nonc2c1[N+](=O)[O-]	4894752	BPSVRTPLRKLEPP-UHFFFAOYSA-N	228.595	1.826	5	40	BDBB	
NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	33508065	OELIAJOIVWXZBZ-UHFFFAOYSA-N	231.664	1.904	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)c(F)c(CO)c1	68675317	QMPDEYTUSNMXFD-UHFFFAOYSA-N	205.572	1.880	5	40	BDBB	
Cc1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1	45886114	VPOYTBXXVFMYQA-UHFFFAOYSA-N	235.287	1.655	5	40	BDBB	
COC(=O)CNc1ccc([N+](=O)[O-])cc1C	36949092	PMNYMCFRTLXJDP-UHFFFAOYSA-N	224.216	1.488	5	40	BDBB	in-vitro
CCOc1ccc(-n2cnnc2)c([N+](=O)[O-])c1	70461180	RSMSHWDWQOCRSX-UHFFFAOYSA-N	234.215	1.574	5	40	BDBB	
CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1	301720	QRKJPPGNWALMOM-VIFPVBQESA-N	238.243	1.096	5	40	BDBB	
CCN(CC)C(=O)c1c([N+](=O)[O-])cnn1CC	2779288	KVNBSGWPSQATOZ-UHFFFAOYSA-N	240.263	1.293	5	40	BDBB	
C[C@@H](CO)CSc1ccc([N+](=O)[O-])cn1	72301739	KIEWDMQVLWBCHN-ZETCQYMHSA-N	228.273	1.710	5	40	BDBB	
CCOc1cc([N+](=O)[O-])cc(C(=O)O)c1OC	225282612	RRNYHVPZSXKMRC-UHFFFAOYSA-N	241.199	1.700	5	40	BDBB	
O=Cc1ccc(N2CCSC2)cc1[N+](=O)[O-]	95081119	YUNPKYVCCABCBE-UHFFFAOYSA-N	238.268	1.918	5	40	BDBB	
O=Cc1ccc(OCn2ccc([N+](=O)[O-])n2)cc1	2535203	IYUVNMKCOQYGQX-UHFFFAOYSA-N	247.210	1.640	5	40	BDBB	
CN(Cc1cnn(C)c1)c1ncccc1[N+](=O)[O-]	24585949	WXKOZLMRVFMGMF-UHFFFAOYSA-N	247.258	1.360	5	40	BDBB	
O=C(O)c1cc2c(c([N+](=O)[O-])c1)OCO2	35333697	AKXGHFHZVBDAQB-UHFFFAOYSA-N	211.129	1.022	5	40	BDBB	in-vitro
Cc1nc2nc3[nH]c4ccccc4c3nn2n1	5730854	LJQYEVSJJSYDOW-UHFFFAOYSA-N	224.227	1.462	5	40	BDBB	
Cc1c([N+](=O)[O-])c(C(F)F)nn1[C@H](C)C(=O)O	408716313	LHMZGKXXLKYCAC-SCSAIBSYSA-N	249.173	1.683	5	40	BDBB	
CN(C)c1ccc([N+](=O)[O-])c(C(=O)O)c1	19845324	RIBZKYVKDZGFBP-UHFFFAOYSA-N	210.189	1.359	5	40	BDBB	
COc1ccc(C(N)=S)cc1[N+](=O)[O-]	127627	UJOANRRVCDTJTD-UHFFFAOYSA-N	212.230	1.238	5	40	BDBB	
CC1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1	32826057	BDITWOYVNQHOQD-UHFFFAOYSA-N	236.275	1.808	5	40	BDBB	
COc1ccc(-c2n[nH]nc2[N+](=O)[O-])cc1	96325948	IMEFYZIIZKMOBY-UHFFFAOYSA-N	220.188	1.389	5	40	BDBB	
C[C@H](C(=O)O)N(C)c1cccc([N+](=O)[O-])c1	54054766	QBQBHXALYMHMHL-SSDOTTSWSA-N	224.216	1.504	5	40	BDBB	
CCOC(=O)C[C@H](C=C(C)C)C[N+](=O)[O-]	96031838	JEZGGUXZVFNAAD-VIFPVBQESA-N	215.249	1.799	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc(-c2nnco2)cc([N+](=O)[O-])c1	6505239	IYAZASXXAMRQNT-UHFFFAOYSA-N	236.143	1.553	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1OC1CCNCC1	51865404	JRCDVXYTUYSIDA-UHFFFAOYSA-N	240.234	1.865	5	40	BDBB	
CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cn1	82046864	NMDXDNSQQMHSHI-UHFFFAOYSA-N	238.243	1.874	5	40	BDBB	
CCn1ncc([N+](=O)[O-])c1C(F)(F)F	95098693	QBPYPTPFVMAYPW-UHFFFAOYSA-N	209.127	1.830	5	40	BDBB	
CC(C)/N=c1\ccccn1C(=O)[C@H]1C[C@H]1[N+](=O)[O-]	44408598	CGFCLQNOPOFDPJ-ASGAHOKESA-N	249.270	1.103	5	40	BDBB	
CCCOC(=O)c1cc([N+](=O)[O-])cn1C	35188443	MOLHXRAMVVXIMN-UHFFFAOYSA-N	212.205	1.500	5	40	BDBB	
CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-]	35322459	COOGXBRUUZBDDU-UHFFFAOYSA-N	244.272	1.201	5	40	BDBB	
CCNC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	46930858	BWVDEWWQTDBILE-UHFFFAOYSA-N	238.243	1.743	5	40	BDBB	
O=C1N[C@@H](Cc2ccc([N+](=O)[O-])cc2)CO1	21984762	CCEJPIYBVGYGEM-QMMMGPOBSA-N	222.200	1.246	5	40	BDBB	in-vitro
O=C(NCC1CC1)c1sccc1[N+](=O)[O-]	40108683	JKQJCNFTNIPNCB-UHFFFAOYSA-N	226.257	1.796	5	40	BDBB	
O=[N+]([O-])c1ccc(C2N3CCCN23)cc1	19168839	HSYQQZRQUXJBPH-UHFFFAOYSA-N	205.217	1.530	5	40	BDBB	
O=c1[nH]c2nc(=S)[nH]nc2c2ccccc12	196399467	UCHDZIWVNSOUPI-UHFFFAOYSA-N	230.252	1.529	5	40	BDBB	
Cc1ccc(-c2c([N+](=O)[O-])cnn2CCO)cc1	96527478	GCDMFULQQINABD-UHFFFAOYSA-N	247.254	1.759	5	40	BDBB	
COc1cc(OC)c(OC)cc1/C=C\[N+](=O)[O-]	6089175	DPZJDIXHUBSWDS-PLNGDYQASA-N	239.227	1.960	5	40	BDBB	
Nc1nnc(COc2ccccc2[N+](=O)[O-])o1	226256034	BELJZZRYSPRYSJ-UHFFFAOYSA-N	236.187	1.139	5	40	BDBB	
Cc1cc(=O)oc2c(F)c(O)c([N+](=O)[O-])cc12	98211627	OMZXTLOUTPXCCO-UHFFFAOYSA-N	239.158	1.854	5	40	BDBB	
COC1=C[C@@H](c2ccccc2[N+](=O)[O-])OC1=O	5103489	SFRJBLUSENMWQS-VIFPVBQESA-N	235.195	1.723	5	40	BDBB	
Cc1cc(-n2cnnn2)c([N+](=O)[O-])cc1C	345086	GOEDQXLMTFHZES-UHFFFAOYSA-N	219.204	1.187	5	40	BDBB	
CNC(=O)Oc1cc([N+](C)(C)C)ccc1C	1718618	WAAZDNJMKNYTAI-UHFFFAOYSA-O	223.296	1.910	5	40	BDBB	
CCOC(=O)c1nn(C(F)F)cc1[N+](=O)[O-]	408716878	SEDQWSRCEGWLOJ-UHFFFAOYSA-N	235.146	1.363	5	40	BDBB	
CN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1	4182325	XNADLAKKHYPORF-UHFFFAOYSA-N	235.287	1.737	5	40	BDBB	
COC(=O)CC(=O)c1ccccc1[N+](=O)[O-]	78206043	NIIIBNUAQSIIEN-UHFFFAOYSA-N	223.184	1.341	5	40	BDBB	
O=C(O)c1[nH]nc2cc([N+](=O)[O-])ccc12	14984588	AZQFFHKDZNETBK-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc([C@H](O)Nc2nccs2)o1	6513076	ZYVRRCBSSUWULH-ZETCQYMHSA-N	241.228	1.747	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)ccc1OC1CNC1	42769699	VCKGZIKKTZQBHV-UHFFFAOYSA-N	228.635	1.599	5	40	BDBB	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)NCCC2	3888999	XCLHEQIACBUGJP-UHFFFAOYSA-N	223.188	1.861	5	40	BDBB	in-vitro
Cc1nc2cc([N+](=O)[O-])ccc2nc1C(=O)O	604941598	RVENLYLWXSOOQZ-UHFFFAOYSA-N	233.183	1.545	5	40	BDBB	
Nc1ccc2nc3ccc(N)cc3nc2c1	5162073	CCBDBWAKDHGKNI-UHFFFAOYSA-N	210.240	1.947	5	40	BDBB	biogenic
CC(C)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	7005805	JJVRPHSDWHIZQL-UHFFFAOYSA-N	247.254	1.961	5	40	BDBB	
O=Cc1cncn1Cc1cccc([N+](=O)[O-])c1	89202855	KDNSSUMBMSLCIE-UHFFFAOYSA-N	231.211	1.652	5	40	BDBB	
CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2o1	67175702	ATENPXJPAAXTHT-UHFFFAOYSA-N	236.183	1.913	5	40	BDBB	
Cc1cnc(Nc2ccc([N+](=O)[O-])cn2)[nH]1	89702199	OHJHUGSCKSDIAU-UHFFFAOYSA-N	219.204	1.765	5	40	BDBB	
CCOc1cc(C(N)=O)ccc1[N+](=O)[O-]	90472038	GIMLDSWLSOWBOA-UHFFFAOYSA-N	210.189	1.092	5	40	BDBB	
COC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	12398205	OANFNQPCVBCUQG-UHFFFAOYSA-N	247.210	1.567	5	40	BDBB	
Cc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]	284821	KGFJFFPZBRHFDS-UHFFFAOYSA-N	208.217	1.605	5	40	BDBB	
O=c1[nH]c2ccc(Cl)c([N+](=O)[O-])c2nc1O	39639	CBOGQYULZQIEKT-UHFFFAOYSA-N	241.590	1.190	5	40	BDBB	
O=[N+]([O-])c1ccn(Cc2cccc(F)c2)n1	341182	RXHPFSPENRRCNY-UHFFFAOYSA-N	221.191	1.979	5	40	BDBB	
[O-][n+]1cc[n+]([O-])c2c3ccccc3ccc21	1713815	MDFDGKLPWXQKMU-UHFFFAOYSA-N	212.208	1.260	5	40	BDBB	
COCCOCc1cccc([N+](=O)[O-])c1N	229823012	VXMIQJOYQQIUGW-UHFFFAOYSA-N	226.232	1.340	5	40	BDBB	
CCOc1cc(C=O)c(O)c([N+](=O)[O-])c1	98063945	FRFZQFHJMSWSAH-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	
CC(=O)NCCOc1cccc([N+](=O)[O-])c1	30947864	KPNPONBPEXPJNM-UHFFFAOYSA-N	224.216	1.110	5	40	BDBB	
COc1cc([N+](=O)[O-])cc2c(=O)cc[nH]c12	367534	REHCQVGBSKZDRU-UHFFFAOYSA-N	220.184	1.445	5	40	BDBB	
COC(=O)N(C)c1ccc([N+](=O)[O-])cc1	32237829	ZEGDJJPODOSUOI-UHFFFAOYSA-N	210.189	1.797	5	40	BDBB	in-vitro
O=Cc1ccc2c([N+](=O)[O-])cccc2n1	4137197	QRNHAJDHLIRMED-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	
O=C(c1ccccc1[N+](=O)[O-])n1cccn1	13954012	FIFQKJJLWSCPJA-UHFFFAOYSA-N	217.184	1.480	5	40	BDBB	
CCOC(=O)c1nn([C@@H](C)CC)cc1[N+](=O)[O-]	408715685	CKXXTKZNEFRWJW-ZETCQYMHSA-N	241.247	1.939	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1-n1cccc1CO	223738204	OBZGIEFHWZTDKN-UHFFFAOYSA-N	248.238	1.886	5	40	BDBB	
CS(=O)(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	96510126	RAVIDQORRBULBR-NXEZZACHSA-N	241.268	1.495	5	40	BDBB	
COc1ccc(-n2cnnc2)c([N+](=O)[O-])c1	70461689	OEUAOXKUFLIXBS-UHFFFAOYSA-N	220.188	1.184	5	40	BDBB	
CC(C)[C@H](Nc1ccccc1[N+](=O)[O-])C(N)=O	95427459	RRRQBKWTZIMLBD-JTQLQIEISA-N	237.259	1.517	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc(Cl)c1O	168467314	NKALRCUMHHXJRN-UHFFFAOYSA-N	217.564	1.652	5	40	BDBB	
O=C(O)C(=O)Cc1cccc(Cl)c1[N+](=O)[O-]	1724813	GOCKZCAEISJBQE-UHFFFAOYSA-N	243.602	1.444	5	40	BDBB	
Nc1nnn2c(=O)c3cccc4cccc(c43)c12	4943932	GXHWJBBRGGZOKR-UHFFFAOYSA-N	236.234	1.416	5	40	BDBB	
COc1cc(/C=C\[N+](=O)[O-])cc(OC)c1OC	8614698	PEPYBEJQAIGLRE-PLNGDYQASA-N	239.227	1.960	5	40	BDBB	
C[C@H](Cn1cccn1)Nc1ccc([N+](=O)[O-])cn1	42106240	BCASLTWSRADKQB-SECBINFHSA-N	247.258	1.687	5	40	BDBB	
Cc1nn(C)c(/C=C/N(C)C)c1[N+](=O)[O-]	52517882	QPYNTAAQSHSTDN-AATRIKPKSA-N	210.237	1.169	5	40	BDBB	
COCc1noc(-c2ccc([N+](=O)[O-])cc2)n1	78774881	QSHPSSZEETXZGR-UHFFFAOYSA-N	235.199	1.791	5	40	BDBB	
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCCCC1	225239652	PSRNRPSOJCHZBY-UHFFFAOYSA-N	249.274	1.822	5	40	BDBB	
Cn1ccc(-c2ccccc2[N+](=O)[O-])n1	91696020	VQCALXVUMSAFLK-UHFFFAOYSA-N	203.201	1.995	5	40	BDBB	
O=[N+]([O-])c1ccc2[nH]c(CCCO)nc2c1	5005596	YLQCRJCNANVZIR-UHFFFAOYSA-N	221.216	1.396	5	40	BDBB	
O=[N+]([O-])c1cnn(CN2CCCCC2)c1	20028489	BTSFJYZRYWFYEK-UHFFFAOYSA-N	210.237	1.235	5	40	BDBB	
CCCNC(=O)COc1ccccc1[N+](=O)[O-]	3382155	AAGGCGZIYMJGNC-UHFFFAOYSA-N	238.243	1.500	5	40	BDBB	
Nc1nc(NCC2CCC2)ncc1[N+](=O)[O-]	48558965	BTAYPLQSFYJNEL-UHFFFAOYSA-N	223.236	1.179	5	40	BDBB	
CO[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O	89540917	NOWYLHKMLFFHLR-LURJTMIESA-N	240.215	1.274	5	40	BDBB	
Nc1cc(Cl)c2nonc2c1[N+](=O)[O-]	3882515	MZWTWPQGWLSURI-UHFFFAOYSA-N	214.568	1.367	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccc(F)c1N1CCNCC1	67800720	LADNFZMLQLQVFU-UHFFFAOYSA-N	225.223	1.144	5	40	BDBB	
O=C1Nc2ccc([N+](=O)[O-])cc2C1(F)F	34623138	LYOPOVPPAPVXHE-UHFFFAOYSA-N	214.127	1.639	5	40	BDBB	
Cn1nc([N+](=O)[O-])cc1COCC(F)(F)F	72209666	IJGSCKWAPDYYDI-UHFFFAOYSA-N	239.153	1.407	5	40	BDBB	
O=C1NC(=O)c2ccc([N+](=O)[O-])c3cccc1c23	192004	IUMNWHADVMZBJV-UHFFFAOYSA-N	242.190	1.632	5	40	BDBB	
C[C@@H](CC(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408715562	BSLLJRODYODDPW-BYPYZUCNSA-N	249.173	1.765	5	40	BDBB	
COc1cc(F)c(CO)cc1[N+](=O)[O-]	97447138	UGHPELRGCDCOBC-UHFFFAOYSA-N	201.153	1.235	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)O	1617933	PSUXXDHFQIYRSL-UHFFFAOYSA-N	239.183	1.261	5	40	BDBB	
CSc1nnnn1-c1ccc([N+](=O)[O-])cc1	376954	WEHOPKPODBIPGD-UHFFFAOYSA-N	237.244	1.292	5	40	BDBB	
Cc1nn(CSCC(=O)O)c(C)c1[N+](=O)[O-]	2537821	JIBZDJWNVMUECW-UHFFFAOYSA-N	245.260	1.183	5	40	BDBB	
COc1ccc([C@H](CC(=O)O)C[N+](=O)[O-])cc1	57529604	GIGAUSGQPJTXND-SECBINFHSA-N	239.227	1.530	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1	50441161	CXJBGDXUUOJLGR-UHFFFAOYSA-N	205.177	1.083	5	40	BDBB	
Cc1cc(O[C@@H]2CCNC2)ccc1[N+](=O)[O-]	14632277	PRIBNNSMGXTXTJ-SNVBAGLBSA-N	222.244	1.644	5	40	BDBB	
O=C(O)c1c[nH]c2cccc([N+](=O)[O-])c12	22015807	BYWPORVVGREGBC-UHFFFAOYSA-N	206.157	1.774	5	40	BDBB	in-vitro
Cc1cc(Br)nc([N+](=O)[O-])c1O	117173695	IVIQYHVAIQWYNO-UHFFFAOYSA-N	233.021	1.766	5	40	BDBB	
Cc1ccc(C)c(Cn2cnc([N+](=O)[O-])n2)c1	48603092	CUCGVDWODFDBDO-UHFFFAOYSA-N	232.243	1.851	5	40	BDBB	
CC(C)[C@@H](Nc1ccccc1[N+](=O)[O-])C(N)=O	95427460	RRRQBKWTZIMLBD-SNVBAGLBSA-N	237.259	1.517	5	40	BDBB	
COCCNc1ccc([N+](=O)[O-])c(N)c1	95929102	ZTVZFGGCSJBRDA-UHFFFAOYSA-N	211.221	1.235	5	40	BDBB	
O=Cc1c(O)ccc(Br)c1[N+](=O)[O-]	238710940	YOQOQJOZJPMUIV-UHFFFAOYSA-N	246.016	1.875	5	40	BDBB	
COC(=O)Cc1c(C)cccc1[N+](=O)[O-]	238381238	OWQOXLZIBRKHIS-UHFFFAOYSA-N	209.201	1.619	5	40	BDBB	
CN(C)c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	15586860	ZPOYPLUAUNMIRO-UHFFFAOYSA-N	249.270	1.553	5	40	BDBB	
Cc1cc(-c2nnc(N)o2)ccc1[N+](=O)[O-]	19270463	WTLBPABDLUUIGE-UHFFFAOYSA-N	220.188	1.535	5	40	BDBB	
CC[C@H](CO)NCc1ccc([N+](=O)[O-])cc1	8337100	ULCNJCXXUJYDEK-SNVBAGLBSA-N	224.260	1.455	5	40	BDBB	
C[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-]	71893737	YZOKGIGHRTVBCF-LURJTMIESA-N	214.196	1.527	5	40	BDBB	
O=[N+]([O-])c1ccccc1Cn1ccnn1	34481087	XCRWSJGCCFNKLD-UHFFFAOYSA-N	204.189	1.235	5	40	BDBB	
Cn1ccnc1Sc1ncccc1[N+](=O)[O-]	7139517	QAIQUCFMNNZSHC-UHFFFAOYSA-N	236.256	1.875	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c(C)c(C)n1	1565001	REHHVHQZXZLMOQ-UHFFFAOYSA-N	210.189	1.393	5	40	BDBB	
COC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-]	6763253	QOTCLHMAHIPHPL-ZETCQYMHSA-N	225.200	1.535	5	40	BDBB	
COc1ccc2c(=O)c([N+](=O)[O-])c[nH]c2c1	39350716	KUNGFMDUBZIWCE-UHFFFAOYSA-N	220.184	1.445	5	40	BDBB	
C[C@]1([N+](=O)[O-])C[Si](C)(C)C[C@]1(C)[N+](=O)[O-]	195812055	DSWIDAWDEVKGAV-YUMQZZPRSA-N	232.312	1.779	5	40	BDBB	
O=[N+]([O-])c1c[nH]nc1OCC(F)(F)F	96029580	SQBQEISGQOXJMX-UHFFFAOYSA-N	211.099	1.259	5	40	BDBB	
C[C@@H](CO)Nc1sccc1[N+](=O)[O-]	97144410	OHRMACZPYQTUGM-YFKPBYRVSA-N	202.235	1.449	5	40	BDBB	
COc1cc(Cl)c([N+](=O)[O-])nc1[N+](=O)[O-]	34160756	JZRHMSUAISSCLR-UHFFFAOYSA-N	233.567	1.560	5	40	BDBB	
C[C@H](O)[C@H](C)Sc1ncccc1[N+](=O)[O-]	78582365	WNZURCNLMNEWTC-BQBZGAKWSA-N	228.273	1.851	5	40	BDBB	
O=c1[nH]c(-c2ccccc2)nc(O)c1[N+](=O)[O-]	17111109	HZYOWXPKWVKUFS-UHFFFAOYSA-N	233.183	1.051	5	40	BDBB	
O=[N+]([O-])c1nncn1Cc1ccccc1F	40555134	GEQXXEBFMQLEJR-UHFFFAOYSA-N	222.179	1.374	5	40	BDBB	
CN(C)CCCNc1ccncc1[N+](=O)[O-]	20370355	QKTBHIQPKWXIAW-UHFFFAOYSA-N	224.264	1.353	5	40	BDBB	
CC(=O)[C@H]1C[C@](C)([N+](=O)[O-])CC[C@@]1(C)O	1595432	AMVMHQODMGEQGU-OPRDCNLKSA-N	215.249	1.162	5	40	BDBB	
O=Cc1c(N2CCSC2)cccc1[N+](=O)[O-]	95081121	XTTYEHDKSSOUOJ-UHFFFAOYSA-N	238.268	1.918	5	40	BDBB	
Nc1nnc(-c2ccccc2[N+](=O)[O-])s1	3716775	KEFOBHANGWVLMY-UHFFFAOYSA-N	222.229	1.696	5	40	BDBB	
O=[N+]([O-])c1c(N2CCCO2)nc2sccn12	96011368	IWASNBPYIRPBBJ-UHFFFAOYSA-N	240.244	1.446	5	40	BDBB	
CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(N)c1	38526371	LGCFYPZERIQCFE-UHFFFAOYSA-N	237.259	1.659	5	40	BDBB	
O=c1[nH]c(/C=C\c2ccco2)nc(O)c1[N+](=O)[O-]	101459407	WRDVZIDGMINMIY-ARJAWSKDSA-N	249.182	1.147	5	40	BDBB	
O=Cc1cc(C=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	2573146	VCIJDXSHLZLMST-UHFFFAOYSA-N	224.128	1.128	5	40	BDBB	biogenic
CCC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	4141592	OZIQYDPFZXTZSB-UHFFFAOYSA-N	237.211	1.959	5	40	BDBB	
COc1ccc(C(=O)CC[N+](C)(C)C)cc1	1571719	YIHSFYBBAMSNLH-UHFFFAOYSA-N	222.308	1.974	5	40	BDBB	
COc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]	78073083	ATAUKBZXCKSYQR-UHFFFAOYSA-N	243.131	1.420	5	40	BDBB	
O=[N+]([O-])c1cnc(N2CCOCC2)c(Cl)c1	142370665	KODWLMRRIFTVCO-UHFFFAOYSA-N	243.650	1.480	5	40	BDBB	
O=C(O)c1coc(-c2ccc([N+](=O)[O-])cc2)n1	51075267	CISQMDBMEDATAY-UHFFFAOYSA-N	234.167	1.948	5	40	BDBB	
C[C@@H]1NC(=O)N(c2ccccc2[N+](=O)[O-])C1=O	40546394	DUOJQRDGZRJPRD-LURJTMIESA-N	235.199	1.040	5	40	BDBB	
COCc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	40175816	SIVWHZHVKPSMGA-UHFFFAOYSA-N	234.215	1.526	5	40	BDBB	
O=[N+]([O-])c1ccc(NCCn2cnnc2)cc1	45958618	OJULDGDPUNNNLK-UHFFFAOYSA-N	233.231	1.298	5	40	BDBB	
CC[C@@H](C(=O)O)N(C)c1cccc([N+](=O)[O-])c1	44619279	DTIUYPCASPZCFR-JTQLQIEISA-N	238.243	1.894	5	40	BDBB	
CC(C)(C)OC(=O)NCCC(C)(C)[N+](=O)[O-]	225750212	AHHLARFFXQBHPJ-UHFFFAOYSA-N	232.280	1.957	5	40	BDBB	
NC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	20457226	CZRSYFWPHOBMMA-UHFFFAOYSA-N	249.270	1.158	5	40	BDBB	
Nc1nnc(-c2ccc([N+](=O)[O-])o2)s1	8615561	SXZZHGJWUBJKHH-UHFFFAOYSA-N	212.190	1.289	5	40	BDBB	in-vitro
CN(C)C(=O)c1ccc([N+](=O)[O-])c(F)c1	54415941	KHNPKPIOPWXLRU-UHFFFAOYSA-N	212.180	1.436	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccc(Cn2ccc([N+](=O)[O-])n2)c1	67799322	KFNFOIHQIVOPIT-UHFFFAOYSA-N	248.198	1.748	5	40	BDBB	
O=C(O)c1c(O)ccc([N+](=O)[O-])c1Cl	536954071	MWHWHZYRIJDIED-UHFFFAOYSA-N	217.564	1.652	5	40	BDBB	in-vitro
NC1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	20457235	BZJKVQATQCWDFN-UHFFFAOYSA-N	235.287	1.518	5	40	BDBB	
O=C(O)c1ccc2nc3ccccn3c(=O)c2c1	4454	HMZDSBSMNLBGIW-UHFFFAOYSA-N	240.218	1.546	5	40	BDBB	in-man
CCNC(=O)Nc1ncc([N+](=O)[O-])s1	3875896	FQSUTLQHSDLLAN-UHFFFAOYSA-N	216.222	1.193	5	40	BDBB	in-vitro
COc1ccc(C[N+](=O)[O-])c(OC)c1OC	84917974	LILIBLCSYZYSDH-UHFFFAOYSA-N	227.216	1.489	5	40	BDBB	
CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cn1	95761653	JGXIYZGUFNXWJE-UHFFFAOYSA-N	230.607	1.820	5	40	BDBB	
Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1	1842965	NMTBSNPBIGRZBL-UHFFFAOYSA-N	248.198	1.997	5	40	BDBB	in-man
COc1ccc(-c2cc(N)on2)cc1[N+](=O)[O-]	3715928	LFZFIYUMBYONMT-UHFFFAOYSA-N	235.199	1.841	5	40	BDBB	
O=C(O)c1cc(F)c(F)c(F)c1[N+](=O)[O-]	100904149	AKHSCVHWOXCMRZ-UHFFFAOYSA-N	221.090	1.710	5	40	BDBB	
CC(C)NC(=O)CNc1cccc([N+](=O)[O-])c1	9368035	YOJONLXBYUXELS-UHFFFAOYSA-N	237.259	1.531	5	40	BDBB	
Cc1cc(=O)oc2cc(O)c([N+](=O)[O-])cc12	36074982	DPLGBPYLXGFDJY-UHFFFAOYSA-N	221.168	1.715	5	40	BDBB	
C[C@H]1C[C@@H](C[N+](=O)[O-])CC2(C1)OCCO2	5809809	LWQRTEGTTCEEFE-DTWKUNHWSA-N	215.249	1.442	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](C2CCCC2)N1	13992138	FBHUYEVWXVQWFZ-SCZZXKLOSA-N	212.249	1.101	5	40	BDBB	in-vitro
O=[N+]([O-])c1c(F)cccc1N1CCC(O)CC1	40452524	ZAWPNGIZNNUZHU-UHFFFAOYSA-N	240.234	1.695	5	40	BDBB	
O=[N+]([O-])c1cnccc1-n1nnc2ccccc21	12942874	FPSSUUZYVJXKOZ-UHFFFAOYSA-N	241.210	1.724	5	40	BDBB	
COCCNC(=O)c1ccc([N+](=O)[O-])s1	17321413	USYAJSPQUPAAPG-UHFFFAOYSA-N	230.245	1.033	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc(F)c1F	54207614	MURQTOITBVYFMS-UHFFFAOYSA-N	203.100	1.571	5	40	BDBB	in-vitro
COc1cc([N+](=O)[O-])cnc1-n1cnc(C)c1	96032009	BPSDNCLLKWZSEC-UHFFFAOYSA-N	234.215	1.493	5	40	BDBB	in-vitro
CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC	43466572	GELCFHWTRFWAHP-UHFFFAOYSA-N	239.231	1.745	5	40	BDBB	
O=C(NCCCO)Nc1ccc([N+](=O)[O-])cc1	12777208	CRUYRCSDDOSOOK-UHFFFAOYSA-N	239.231	1.099	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	8077251	VMLFKPZFBHJROK-UHFFFAOYSA-N	236.227	1.496	5	40	BDBB	
O=[N+]([O-])c1ccc(NC2(CO)CC2)cc1	97032920	JAIISKUYLBJDMK-UHFFFAOYSA-N	208.217	1.532	5	40	BDBB	
COc1ccc(/C=C/[N+](=O)[O-])c(OC)c1OC	1735306	UIAAKXDJMXMFMG-VOTSOKGWSA-N	239.227	1.960	5	40	BDBB	
O=C(NC1CC1)c1ccc(F)c([N+](=O)[O-])c1	7135446	DWGZIECGTOOBJU-UHFFFAOYSA-N	224.191	1.626	5	40	BDBB	
C[C@H](N)c1nc(-c2ccc(O)c([N+](=O)[O-])c2)n[nH]1	61844036	YLUARJMJNAQJPW-YFKPBYRVSA-N	249.230	1.105	5	40	BDBB	
Cc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1	32931971	JPZQCAVWBQZOSO-UWVGGRQHSA-N	220.228	1.599	5	40	BDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1	4773293	HZFREYKCBLRUCP-UWVGGRQHSA-N	235.287	1.781	5	40	BDBB	
O=[N+]([O-])c1cn(Cc2ccc(Cl)nc2)cn1	19441390	NKYKRECBXQJRKI-UHFFFAOYSA-N	238.634	1.888	5	40	BDBB	
CCOC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1	34132957	MFBLAYNELIBQML-MRVPVSSYSA-N	239.227	1.925	5	40	BDBB	
CCCNC(=O)c1ccccc1[N+](=O)[O-]	5430994	AZIKGNOIMGSPMB-UHFFFAOYSA-N	208.217	1.735	5	40	BDBB	
O=C(O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	12395462	FHLYLGPMPNMDKU-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	
Cc1csc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])n1	47239773	MEGRFEMDMIRMFS-RITPCOANSA-N	227.245	1.055	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c(Cl)nc1C	114433043	KKKSYCIJDAEFGW-UHFFFAOYSA-N	230.607	1.738	5	40	BDBB	
COC(=O)c1cc2cc([N+](=O)[O-])cnc2o1	37593690	LLMSASCUQOAXNG-UHFFFAOYSA-N	222.156	1.523	5	40	BDBB	
COCCOc1ccc(OC)cc1[N+](=O)[O-]	71811519	WJTHAZBXYONIPL-UHFFFAOYSA-N	227.216	1.629	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(NC[C@@H]2CCCO2)n1	95098541	DJCJGHJOBLIWHX-QMMMGPOBSA-N	240.263	1.402	5	40	BDBB	
Cc1noc(C)c1Cn1cc([N+](=O)[O-])ccc1=O	58869211	MLERZTQSRQFKSC-UHFFFAOYSA-N	249.226	1.410	5	40	BDBB	
C/C(=C\c1cnn2ccccc12)[N+](=O)[O-]	1554502596	RPJVLCFCTAJGIL-SOFGYWHQSA-N	203.201	1.972	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nonc2c1	1590673	HCQCVTKGGMEASP-UHFFFAOYSA-N	210.105	1.039	5	40	BDBB	
CCOc1c(C(N)=O)cc(Cl)cc1[N+](=O)[O-]	57332053	SIBVROJYFGDBKP-UHFFFAOYSA-N	244.634	1.746	5	40	BDBB	
COc1ccc(/C=C\[N+](=O)[O-])cc1OC	4769156	SYJMYDMKPSZMSB-WAYWQWQTSA-N	209.201	1.951	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(Oc2ccccc2C=O)n1	95098558	MBPBWJFSXMMXIN-UHFFFAOYSA-N	247.210	1.933	5	40	BDBB	
Cc1nc(O)nc(Br)c1[N+](=O)[O-]	8642284	HEXLTBBEJZQXDS-UHFFFAOYSA-N	234.009	1.161	5	40	BDBB	
Cc1nc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])sc1C	47247871	BWNHCDJOCXQLDN-RQJHMYQMSA-N	241.272	1.364	5	40	BDBB	
CC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1	20496173	PSDKRYPUJGQJBZ-UHFFFAOYSA-N	248.198	1.603	5	40	BDBB	
NCCCNc1ncnc2ccc([N+](=O)[O-])cc12	81588875	LHKOBDNKRPSFKM-UHFFFAOYSA-N	247.258	1.299	5	40	BDBB	
COCCNc1nn(C(C)C)cc1[N+](=O)[O-]	95098517	VRHVJJDAGNAVMQ-UHFFFAOYSA-N	228.252	1.431	5	40	BDBB	
COC(=O)c1cc(F)c(O)c([N+](=O)[O-])c1	114519007	HDTDTXWOEWTBQV-UHFFFAOYSA-N	215.136	1.226	5	40	BDBB	
Cc1ccc([C@@H](N)CC(=O)O)cc1[N+](=O)[O-]	44196828	UMRIFKHXHJAZOC-QMMMGPOBSA-N	224.216	1.378	5	40	BDBB	
O=[N+]([O-])c1cnccc1NC[C@H]1CCCO1	20370373	HECKSMIQBAMODJ-MRVPVSSYSA-N	223.232	1.581	5	40	BDBB	
O=c1oc2cc([N+](=O)[O-])c(O)cc2s1	36024563	ACTSWVCSDJJKMK-UHFFFAOYSA-N	213.170	1.468	5	40	BDBB	
O=[N+]([O-])c1ccc(CN2CCCNCC2)cc1	19392596	WRWFPOIMNPZDJJ-UHFFFAOYSA-N	235.287	1.390	5	40	BDBB	
O=[N+]([O-])c1cc2c(cc1C1OCCO1)OCO2	338540	LFFPFXZLSNFRBG-UHFFFAOYSA-N	239.183	1.369	5	40	BDBB	
CCOc1cc([N+](=O)[O-])cc(C=O)c1OC	225275433	ZJGRXICIDQUGFJ-UHFFFAOYSA-N	225.200	1.815	5	40	BDBB	
Cc1c(Cn2ccnn2)cccc1[N+](=O)[O-]	128079428	KTOYNQKNAICLLV-UHFFFAOYSA-N	218.216	1.543	5	40	BDBB	
Cc1c(O)nc(-c2ccc([N+](=O)[O-])cc2)oc1=O	16265013	UMANIKDBKTVCKQ-UHFFFAOYSA-N	248.194	1.624	5	40	BDBB	
Cn1cc(C(=O)c2ccccc2)c([N+](=O)[O-])n1	551121	PKFIQJWTDNDTGI-UHFFFAOYSA-N	231.211	1.559	5	40	BDBB	
O=[N+]([O-])c1ccc(CCn2ccnc2CO)cc1	51003767	FQALQEBRRFZIIL-UHFFFAOYSA-N	247.254	1.526	5	40	BDBB	
NCCCNCc1ccc([N+](=O)[O-])cc1	3852009	DTAYWASIRKMWDV-UHFFFAOYSA-N	209.249	1.033	5	40	BDBB	biogenic
COC(=O)c1ccc(SN)c([N+](=O)[O-])c1	501161	XYNKJAMPBWKISK-UHFFFAOYSA-N	228.229	1.347	5	40	BDBB	
O=[N+]([O-])c1cnc(O)cc1Br	169804071	ORZJNGUVNFQCPC-UHFFFAOYSA-N	218.994	1.458	5	40	BDBB	
O=[N+]([O-])c1cccc(-[n+]2ccccc2)c1[N+](=O)[O-]	5640939	GDULICSGKBVEFY-UHFFFAOYSA-N	246.202	1.780	5	40	BDBB	
COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	160622381	FPUOWZLGRPOYOU-UHFFFAOYSA-N	234.211	1.792	5	40	BDBB	
CC[C@H]([C@@H](OC(C)=O)C(C)C)[N+](=O)[O-]	1571188	GNTZENDEEVYVID-BDAKNGLRSA-N	203.238	1.629	5	40	BDBB	
CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1	36612822	XQQKIPRHOORRRL-SREVYHEPSA-N	220.228	1.744	5	40	BDBB	
C[N+]1(C[C@@H](O)COc2ccccc2)CCCC1	36640172	AQKRTZZUHRNHMM-CYBMUJFWSA-N	236.335	1.667	5	40	BDBB	
COC(=O)c1ccc(C)c(OC)c1[N+](=O)[O-]	38540421	QAXKCCPPMGTAHL-UHFFFAOYSA-N	225.200	1.698	5	40	BDBB	
O=[N+]([O-])c1cnc2nc(-c3cccs3)nn2c1	72238673	NKGVUCZRQWEKKS-UHFFFAOYSA-N	247.239	1.761	5	40	BDBB	
C[S@@](=N)(=O)c1cccc([N+](=O)[O-])c1	116118641	DOVHFGDRDUHLBX-CYBMUJFWSA-N	200.219	1.630	5	40	BDBB	
O=c1ccc(-c2ccc([N+](=O)[O-])cc2)no1	225088	SXNIWMKWUKSORG-UHFFFAOYSA-N	218.168	1.610	5	40	BDBB	
COc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	343807	VAXHFZPLOZDEGZ-UHFFFAOYSA-N	233.227	1.848	5	40	BDBB	
CN(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21	1850023	KPNYYJKMNKVSNE-UHFFFAOYSA-N	235.243	1.639	5	40	BDBB	
O=[N+]([O-])c1ccc(Cc2cc[n+]([O-])cc2)cc1	3852493	MFWQVUNSGKEBRX-UHFFFAOYSA-N	230.223	1.819	5	40	BDBB	
Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2n1C	4321150	ZREWNWYVZUFYFV-UHFFFAOYSA-N	236.187	1.698	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)C1CC1	6126942	VYLKTKVRHDIWKW-UHFFFAOYSA-N	236.227	1.952	5	40	BDBB	
Cc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C	16284597	OMPYKGLOVBKBOF-UHFFFAOYSA-N	221.216	1.094	5	40	BDBB	
C[C@@H](Cn1cccn1)Nc1ncccc1[N+](=O)[O-]	42106182	WUSWTJWVRZFGDY-VIFPVBQESA-N	247.258	1.687	5	40	BDBB	
NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	4014515	CHLLMUGODQTCJG-UHFFFAOYSA-N	216.580	1.053	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1O[C@H]1CCNC1	67800894	SEURDWYODCOCMT-ZETCQYMHSA-N	226.207	1.475	5	40	BDBB	
O=C1Cc2c([N+](=O)[O-])ccc(Cl)c2N1	199805390	GHTKYSCCYQBEKF-UHFFFAOYSA-N	212.592	1.743	5	40	BDBB	
COC(=O)CSc1ccc([N+](=O)[O-])cn1	20220547	QXAOASNYIXQYQZ-UHFFFAOYSA-N	228.229	1.255	5	40	BDBB	in-vitro
N[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	41665792	RYOKIDCWBVOIQC-SECBINFHSA-N	221.260	1.522	5	40	BDBB	
O=Cc1ccc([N+](=O)[O-])c2cccnc12	26443320	OADWZRGEFPVNSY-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	in-vitro
Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1	78460608	GFEJOMJMJNTDGN-UHFFFAOYSA-N	204.189	1.390	5	40	BDBB	
CC(=O)Nc1cccc(C(=O)O)c1[N+](=O)[O-]	4256816	FOXLFUZFWTYAME-UHFFFAOYSA-N	224.172	1.251	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1NC(N)=S	4052473	RRSNRUQPEWBJAE-UHFFFAOYSA-N	211.246	1.559	5	40	BDBB	
CCOC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1	4284424	XWXGLGWXBJDMPT-UHFFFAOYSA-N	249.226	1.682	5	40	BDBB	
Cc1ccc([C@H]2NCCC(=O)N2)cc1[N+](=O)[O-]	408736959	KFQWBAFPPKCPLJ-NSHDSACASA-N	235.243	1.011	5	40	BDBB	
O=C(NC1CCNCC1)c1ccc([N+](=O)[O-])cc1	36962387	BSNMWDYFHTYOMR-UHFFFAOYSA-N	249.270	1.077	5	40	BDBB	
CCOCCNc1ccc([N+](=O)[O-])cn1	31666851	CIPVJBTWNOQAAH-UHFFFAOYSA-N	211.221	1.438	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccs2)N1	88844	NXGSXROJOVXBSB-MUWHJKNJSA-N	226.257	1.345	5	40	BDBB	
O=[N+]([O-])c1cccc(CNC2CCNCC2)c1	52926234	JCBNOYXEVNQCJL-UHFFFAOYSA-N	235.287	1.436	5	40	BDBB	
O=[N+]([O-])c1ccc(CO[C@H]2CCNC2)cc1	14632073	MZXUTWOZVOZHLZ-NSHDSACASA-N	222.244	1.473	5	40	BDBB	
CONC(=O)Nc1cccc([N+](=O)[O-])c1	10382673	HFZSAFPAPDKKIX-UHFFFAOYSA-N	211.177	1.278	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2cccc([N+](=O)[O-])n2)n1	38843599	ZCZJNRAISKXLCC-UHFFFAOYSA-N	246.182	1.960	5	40	BDBB	
CNC(=S)Nc1ccc(C)c([N+](=O)[O-])c1	5897406	JJDRHNPICHZJAW-UHFFFAOYSA-N	225.273	1.819	5	40	BDBB	
CC1([N+](=O)[O-])COC2(CCCCC2)OC1	1566613	QZSNNLGSVONIEG-UHFFFAOYSA-N	215.249	1.729	5	40	BDBB	
Cc1c[n+]([O-])c2ccccc2c1[N+](=O)[O-]	2019350	DSDCYTGYMIYMDL-UHFFFAOYSA-N	204.185	1.690	5	40	BDBB	
CCOc1cc([N+](=O)[O-])cc(C(=O)O)c1O	225282565	CGDMCPWZVPKEMV-UHFFFAOYSA-N	227.172	1.397	5	40	BDBB	
O=Cc1oc2ccc([N+](=O)[O-])cc2c1O	100715476	YYRJNQWYVQJNOT-UHFFFAOYSA-N	207.141	1.859	5	40	BDBB	
COc1ccccc1-n1cnc([N+](=O)[O-])c1	83319430	IYPJIAZDHYTAPS-UHFFFAOYSA-N	219.200	1.789	5	40	BDBB	
CCOCCCNc1nn(C)cc1[N+](=O)[O-]	95098529	ZVJGNKRJUCKWLI-UHFFFAOYSA-N	228.252	1.167	5	40	BDBB	
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCC2	518621	MGBUVOJNPYIVNJ-UHFFFAOYSA-N	231.211	1.251	5	40	BDBB	biogenic
N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1	113897084	SAMULBXZLWLWPM-JTQLQIEISA-N	206.245	1.801	5	40	BDBB	
Nc1nn(Cc2ccccc2)c(N)c1[N+](=O)[O-]	4127316	JAPCXJOEFIJPBO-UHFFFAOYSA-N	233.231	1.004	5	40	BDBB	
O=c1c([N+](=O)[O-])cccn1Cc1ccc(F)cc1	72280388	VAHMQLHUMPUHAR-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1N1CCOCC1	48567884	JIAGZYCSIUOTRC-UHFFFAOYSA-N	226.207	1.571	5	40	BDBB	
COc1cc(F)c(C(=O)O)cc1[N+](=O)[O-]	97447136	OPMBKWCOJOGSDQ-UHFFFAOYSA-N	215.136	1.441	5	40	BDBB	
O=C(O)CCCc1nc2cc([N+](=O)[O-])ccc2[nH]1	5483251	IEODTOLGLBSUCD-UHFFFAOYSA-N	249.226	1.878	5	40	BDBB	
O=C(O)c1[nH]c2ccccc2c1[N+](=O)[O-]	37632679	OUDKEPMYUAFKLL-UHFFFAOYSA-N	206.157	1.774	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(-n2[nH]nnc2=S)cc1	1734463	HULJXMCAQUUEKF-UHFFFAOYSA-N	223.217	1.233	5	40	BDBB	
Cc1cc(C(=O)O)c([N+](=O)[O-])cc1[N+](=O)[O-]	3115866	SESSPRSOEAVOMC-UHFFFAOYSA-N	226.144	1.510	5	40	BDBB	
O=C1CCN(c2cccc([N+](=O)[O-])c2)CC1	113589121	UAGSKUGVSRVRFE-UHFFFAOYSA-N	220.228	1.764	5	40	BDBB	
C=CS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1	18194643	DFCKJWJQHFMXPC-UHFFFAOYSA-N	229.213	1.447	5	40	BDBB	
C[C@H](CO)CSc1ccc([N+](=O)[O-])cn1	72301740	KIEWDMQVLWBCHN-SSDOTTSWSA-N	228.273	1.710	5	40	BDBB	
CC(=O)Nc1cc(NN)c([N+](=O)[O-])cc1Cl	62716733	GJRBRIHLRUESGU-UHFFFAOYSA-N	244.638	1.492	5	40	BDBB	
CC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-]	16138984	GVUXEBPWIVUTSB-UHFFFAOYSA-N	237.211	1.270	5	40	BDBB	
O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])o1	259776	ADYPJKNMIDVKIU-UHFFFAOYSA-N	233.183	1.835	5	40	BDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CC1	2738897	KVPWMFLCEGJCJE-UHFFFAOYSA-N	220.228	1.416	5	40	BDBB	
CC[C@@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	70644111	DBSUVWOAMNDHMH-RXMQYKEDSA-N	211.225	1.177	5	40	BDBB	
CC(C)N(CCO)Cc1cccc([N+](=O)[O-])c1	49824782	KFXUZCATZBYRPD-UHFFFAOYSA-N	238.287	1.798	5	40	BDBB	
C[n+]1c2ccccc2nc2c(N)cc(N)cc21	4215584	KRAWUEPNKYPATF-UHFFFAOYSA-O	225.275	1.377	5	40	BDBB	
O=C1CCCN(c2ccc([N+](=O)[O-])cc2)C1	89065396	VMPHEKKAEAQKET-UHFFFAOYSA-N	220.228	1.764	5	40	BDBB	
NC(=O)C1(Nc2ccc([N+](=O)[O-])cc2)CCCC1	4523024	UXVHBOXKNYKLMG-UHFFFAOYSA-N	249.270	1.805	5	40	BDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1	5765436	DEALXJORQWHYGS-JTQLQIEISA-N	236.227	1.712	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	13283516	DDUTWQBMJHOFNK-UHFFFAOYSA-N	234.171	1.689	5	40	BDBB	
O=C(/C=C/c1ccccc1[N+](=O)[O-])n1[nH][nH]1	3845788	SZXYMSOCLINXMI-AATRIKPKSA-N	220.188	1.406	5	40	BDBB	
CONC(=O)CSc1ccc([N+](=O)[O-])cc1	32848414	XTIDLUFAGWNFBD-UHFFFAOYSA-N	242.256	1.365	5	40	BDBB	
CN1CCCN(c2ccccc2[N+](=O)[O-])CC1	5689588	AMISZBKTTDDBEP-UHFFFAOYSA-N	235.287	1.737	5	40	BDBB	
O=[N+]([O-])c1cccc(CSC2=NCCN2)c1	9613824	MATHIEDKJLODTO-UHFFFAOYSA-N	237.284	1.787	5	40	BDBB	
CC(=O)N(C[C@@H](C)N)c1cccc([N+](=O)[O-])c1	225753556	BQYPJWMLEKYQAW-MRVPVSSYSA-N	237.259	1.295	5	40	BDBB	
COC(=O)c1nn(CC(C)C)cc1[N+](=O)[O-]	143629790	KLJLOIZSOFPDEG-UHFFFAOYSA-N	227.220	1.234	5	40	BDBB	
C[C@H](Cn1ncc([N+](=O)[O-])c1C(F)F)C(=O)O	408716461	NHIBRPRWBLLOGA-SCSAIBSYSA-N	249.173	1.450	5	40	BDBB	
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CCN1	71978890	FCZWROLPEYUMCX-VIFPVBQESA-N	249.270	1.029	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1OC1COC1	71791995	SRLCNOCQIYAYMH-UHFFFAOYSA-N	225.200	1.381	5	40	BDBB	
NCc1nc2cc(Cl)cc([N+](=O)[O-])c2o1	953077297	AFHPMPFYXNVTSR-UHFFFAOYSA-N	227.607	1.848	5	40	BDBB	
O=C(NC1CCCC1)c1cc([N+](=O)[O-])c[nH]1	9647938	YXGZFXMSRGXCSP-UHFFFAOYSA-N	223.232	1.595	5	40	BDBB	
O=Cc1c([N+](=O)[O-])ncn1Cc1ccccc1	21984505	JIHHSMKAVRMBRP-UHFFFAOYSA-N	231.211	1.652	5	40	BDBB	
Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1	45951652	GNPBBZVYDKZTSL-UHFFFAOYSA-N	222.244	1.740	5	40	BDBB	
CS(=O)(=O)[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	96510119	PLZYWCRLGTYBFP-ZJUUUORDSA-N	241.268	1.495	5	40	BDBB	
CCOc1nn([C@H](CC)C(=O)O)cc1[N+](=O)[O-]	253400424	LFTDSSZROBCEDQ-ZCFIWIBFSA-N	243.219	1.226	5	40	BDBB	
Nc1ccc(C(=O)NC2CCCC2)cc1[N+](=O)[O-]	12730597	YUZBYKFODBFYSW-UHFFFAOYSA-N	249.270	1.849	5	40	BDBB	
C[C@@H]1CNCCN1Cc1ccccc1[N+](=O)[O-]	54373131	UTSKPKRQUTWCES-SNVBAGLBSA-N	235.287	1.389	5	40	BDBB	
CCc1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1	39102049	VPENCSHERWBWGY-UHFFFAOYSA-N	218.212	1.999	5	40	BDBB	
O=C(O)C[C@@H](C(=O)O)c1ccccc1[N+](=O)[O-]	327586	REWALNXOIYDJFF-SSDOTTSWSA-N	239.183	1.238	5	40	BDBB	in-vitro
CNc1ccc(OCC[N+](C)(C)C)cc1	57218613	PQXFJLVPJBLNPE-UHFFFAOYSA-N	209.313	1.813	5	40	BDBB	in-vitro
O=[N+]([O-])c1cnc(Cl)nc1NC1CC1	12759602	NNWSQRLDWYRIRV-UHFFFAOYSA-N	214.612	1.613	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])c2nsnc2c1	88613820	CQVWKJISSWKGQX-UHFFFAOYSA-N	225.185	1.298	5	40	BDBB	in-vitro
C[C@@H]1COCCN1c1ccc([N+](=O)[O-])nc1	73588237	OPFQNEYMBKNBFW-MRVPVSSYSA-N	223.232	1.215	5	40	BDBB	
Nc1cc(N2CCSCC2)ccc1[N+](=O)[O-]	34017527	ULKCUKDARNAGSB-UHFFFAOYSA-N	239.300	1.730	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(OCC(=O)O)c1	163020888	QQBCMIBYDFMFQA-UHFFFAOYSA-N	227.172	1.067	5	40	BDBB	
CSc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	45955462	CCOISJIVVZYOED-UHFFFAOYSA-N	237.240	1.553	5	40	BDBB	
CON(C)C(=O)c1cc([N+](=O)[O-])cnc1Cl	72204049	DTOXYMQWPORGSQ-UHFFFAOYSA-N	245.622	1.277	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1-n1cnnc1	70461533	KXDNEYXWOOFZHC-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
O=[N+]([O-])c1cc(CO)ccc1OC(F)(F)F	140253543	PKZJDUBYGUFLFL-UHFFFAOYSA-N	237.133	1.986	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Sc1ccccn1	13220255	XENAPVUVHXXRRF-UHFFFAOYSA-N	236.256	1.875	5	40	BDBB	
Cc1nn([C@@H](C)C(=O)O)c(C(F)F)c1[N+](=O)[O-]	408717297	YBFILTYPTJKLAD-BYPYZUCNSA-N	249.173	1.683	5	40	BDBB	
N[C@H](CC(=O)O)c1cc(Cl)ccc1[N+](=O)[O-]	2504817	LTTNYUZITGAANH-SSDOTTSWSA-N	244.634	1.723	5	40	BDBB	
NC(=O)CSc1ccccc1[N+](=O)[O-]	35576589	KNZQTGHKBNXMRK-UHFFFAOYSA-N	212.230	1.172	5	40	BDBB	
Cc1cc(=O)[nH]c2c1c(=O)oc1ccccc12	85397252	PFGXNHOSHWWYFP-UHFFFAOYSA-N	227.219	1.943	5	40	BDBB	
NC(=O)C12CC[N+](Cc3ccccc3)(CC1)C2	261507283	HDCXCCXANQZOLL-UHFFFAOYSA-O	231.319	1.283	5	40	BDBB	
O=C1O[C@@H](c2ccccc2[N+](=O)[O-])C=C1O	16449478	KJDPBXSPQCCMNV-SECBINFHSA-N	221.168	1.635	5	40	BDBB	
COC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]	6824119	QOTCLHMAHIPHPL-SSDOTTSWSA-N	225.200	1.535	5	40	BDBB	
COc1cc2c(cc1[N+](=O)[O-])NC(=O)OC2	953040344	FEJNDILQWPDAOC-UHFFFAOYSA-N	224.172	1.666	5	40	BDBB	
CC(C)NC(=O)c1ccc(F)c([N+](=O)[O-])c1	37247987	BQMLBLSKLSEZOY-UHFFFAOYSA-N	226.207	1.872	5	40	BDBB	
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2O)n1	40517236	DSPUTYZFIRGJDL-SFYZADRCSA-N	211.221	1.267	5	40	BDBB	
CC(=O)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1	1706881	PXAFGNQRBIXGLM-UHFFFAOYSA-N	224.172	1.251	5	40	BDBB	
Cc1ccc(N2CCOC2=O)cc1[N+](=O)[O-]	71790361	JKICXIAQYWYNAX-UHFFFAOYSA-N	222.200	1.860	5	40	BDBB	
CCOc1nn(CCCC(=O)O)cc1[N+](=O)[O-]	253406835	VAYJJGBSDSHTOU-UHFFFAOYSA-N	243.219	1.055	5	40	BDBB	
CCOc1cc([N+](=O)[O-])ccc1C(=O)OC	34050090	DIYPZSWABIAOFT-UHFFFAOYSA-N	225.200	1.780	5	40	BDBB	
CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1	304785	QRBOMDOFHIYOCJ-LURJTMIESA-N	212.205	1.716	5	40	BDBB	
O=C(O)c1cc2cccc([N+](=O)[O-])c2oc1=O	3222758	GZRJTAOIBQPQKZ-UHFFFAOYSA-N	235.151	1.399	5	40	BDBB	
C[C@@H]1CNCCN1CCc1ccc([N+](=O)[O-])cc1	54374339	DJJBWWMTXSWIMO-LLVKDONJSA-N	249.314	1.431	5	40	BDBB	
N=C1NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1	5763319	KQCJDRGWZYGLDG-YVMONPNESA-N	249.251	1.733	5	40	BDBB	
O=Cc1csc(Cn2cc([N+](=O)[O-])cn2)c1	15106304	MTFQZSMAQKPCFI-UHFFFAOYSA-N	237.240	1.714	5	40	BDBB	
Cn1cc(CCCn2cc([N+](=O)[O-])cn2)cn1	88239766	INDQCIASLKYUSL-UHFFFAOYSA-N	235.247	1.158	5	40	BDBB	
O=C(O)c1c[nH]c2nccc([N+](=O)[O-])c12	16678081	GLWOBXJVRRKBED-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	
COc1ccc(OC)c([C@H](O)C[N+](=O)[O-])c1	2513710	QRPRIJUIJFISJN-SECBINFHSA-N	227.216	1.014	5	40	BDBB	in-vitro
CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	5456494	UZBIDEIFWHNBEL-UHFFFAOYSA-N	228.635	1.998	5	40	BDBB	
CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1	346027	DJOFAKOEQNUEAK-UHFFFAOYSA-N	210.189	1.354	5	40	BDBB	
CC1([N+](=O)[O-])COC(Cc2ccccc2)OC1	1656204	RDDJYBBYRONTIM-UHFFFAOYSA-N	237.255	1.637	5	40	BDBB	
CN1Cc2cc([N+](=O)[O-])ccc2CC1=O	95096585	OAZNUWVXHRYGEN-UHFFFAOYSA-N	206.201	1.109	5	40	BDBB	
CCON(C(C)=O)c1cccc([N+](=O)[O-])c1	1705731	ZIPTUMAGUVQEEH-UHFFFAOYSA-N	224.216	1.899	5	40	BDBB	
Cc1cc(=O)c2c(=O)n(C)c3ccccc3c2o1	3131003	BGUBJZKRBKRLFN-UHFFFAOYSA-N	241.246	1.953	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)c(-c2nnn[nH]2)c1	33921879	QJAZSDUNMYLGQF-UHFFFAOYSA-N	225.595	1.428	5	40	BDBB	
Cc1c(-n2cnnc2)cccc1[N+](=O)[O-]	70461532	OHXZLKZNCIHGEZ-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
C[C@]1([N+](=O)[O-])COCN(Cc2ccccc2)C1	20032769	BNSGAWSGAXBPGH-GFCCVEGCSA-N	236.271	1.512	5	40	BDBB	
COc1cc(OC)c2nonc2c1[N+](=O)[O-]	251509	XGEJUCXWPDUFGL-UHFFFAOYSA-N	225.160	1.148	5	40	BDBB	
CCC(=O)n1ncc2ccc([N+](=O)[O-])cc21	1715968	RUAPOJIWNCXRBH-UHFFFAOYSA-N	219.200	1.995	5	40	BDBB	
Nc1c([N+](=O)[O-])c(C2CCCC2)nn1CCO	96527776	VZKYPWGXGPTITE-UHFFFAOYSA-N	240.263	1.023	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H]([C@@H]2CC=CCC2)N1	169355938	CGLPKGVDOFMFCQ-WCABBAIRSA-N	224.260	1.267	5	40	BDBB	
CC[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1	390835800	YOZPGAXPNFHROB-VIFPVBQESA-N	241.243	1.237	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NCC[C@H]1CCCO1	24202867	LYZIHGVPDCCOEZ-MRVPVSSYSA-N	240.263	1.309	5	40	BDBB	
CNCCCNCc1cccc([N+](=O)[O-])c1	57362395	UKQRHXZTGBAGNL-UHFFFAOYSA-N	223.276	1.294	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])cc(C)c1C	35333513	DULYKGKWIIYWPY-UHFFFAOYSA-N	209.201	1.998	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccnc1OC1CCOCC1	67802475	JRCLEGSGUUSEGZ-UHFFFAOYSA-N	224.216	1.548	5	40	BDBB	
Nc1c(C(=O)O)cnc2ccc([N+](=O)[O-])cc12	26463176	MGJCQIPPSDGTAD-UHFFFAOYSA-N	233.183	1.423	5	40	BDBB	
Cc1nc(N2Cc3c[nH]nc3C2)ccc1[N+](=O)[O-]	521394451	IZWLFUSABONAGD-UHFFFAOYSA-N	245.242	1.542	5	40	BDBB	
O=[N+]([O-])c1ccc(NCc2cc[nH]n2)nc1	40436306	XIGJCZMAWHRFDB-UHFFFAOYSA-N	219.204	1.325	5	40	BDBB	
Cc1ccnc(-c2cccc([N+](=O)[O-])c2)[n+]1[O-]	32627297	OQSQIMJVHWOCMG-UHFFFAOYSA-N	231.211	1.599	5	40	BDBB	in-vitro
Cc1n[nH]c(Sc2ccc([N+](=O)[O-])cn2)n1	59116438	GUJGOBVEZBYCEP-UHFFFAOYSA-N	237.244	1.568	5	40	BDBB	
CC(C)[C@@H](Nc1ncccc1[N+](=O)[O-])C(=O)O	19754003	CHQDVCCSZLNKJA-MRVPVSSYSA-N	239.231	1.511	5	40	BDBB	
COC(=O)CNc1ccc([N+](=O)[O-])cc1	5334903	HMJSBNVWZWUVAO-UHFFFAOYSA-N	210.189	1.180	5	40	BDBB	
CC(=O)CC(=O)Nc1ccccc1[N+](=O)[O-]	5601901	ZBRNSHANCDLJAA-UHFFFAOYSA-N	222.200	1.512	5	40	BDBB	
C[C@@H](O[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	1665070	PIQBSPNEWLXJOU-ZCFIWIBFSA-N	212.161	1.864	5	40	BDBB	
CCOC(=O)C(C)(C)c1ncccc1[N+](=O)[O-]	38590395	YEDHWTBDEHRYPG-UHFFFAOYSA-N	238.243	1.831	5	40	BDBB	
C[N+]1([C@@H]2CC[C@@H]3CC[C@@H]2[C@@H]3O)CCCC1	100620867	WFYRTMMCIGPRMC-WUHRBBMRSA-N	210.341	1.776	5	40	BDBB	
O=[N+]([O-])c1ccc([N+](=O)[O-])c2nsnc12	5328426	ALUQGDUUNXNHKC-UHFFFAOYSA-N	226.173	1.508	5	40	BDBB	
CN1CCc2ccccc2[C@H]1C[N+](C)(C)C	3845814	NLLQUKFFDFUNPW-CQSZACIVSA-N	219.352	1.922	5	40	BDBB	
C[C@@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1	54373008	LHKSGIODIOZRRH-SNVBAGLBSA-N	235.287	1.389	5	40	BDBB	
O=C(O)c1ccc2cccc([N+](=O)[O-])c2n1	4228179	YKNRUBPOGQLIKS-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
Cc1[nH]c(-c2ccccc2[N+](=O)[O-])nc1C(=O)O	39320323	FCJYVDXPECBLHZ-UHFFFAOYSA-N	247.210	1.992	5	40	BDBB	
Cc1[nH]c(-c2cccc([N+](=O)[O-])c2)nc1C(=O)O	39320354	YCKWXEJMMDPAFK-UHFFFAOYSA-N	247.210	1.992	5	40	BDBB	
O=C(O)C1(Oc2cccc([N+](=O)[O-])c2)CC1	85392792	OOZUDDOBIQNYHX-UHFFFAOYSA-N	223.184	1.591	5	40	BDBB	
Nc1c(C(=O)O)cnn1-c1ccc([N+](=O)[O-])cc1	79053	VUYCAWFGQCSWAS-UHFFFAOYSA-N	248.198	1.061	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1	100487456	MURDSWGYWHGJMH-LIJGXYGRSA-N	236.271	1.123	5	40	BDBB	
Cc1c2c(cc([N+](=O)[O-])c1C(=O)O)OCO2	95836497	IGWOTAUBCLTFJY-UHFFFAOYSA-N	225.156	1.330	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2n[nH]nc2[N+](=O)[O-])c1	4354755	OJZNCZIBIWCVHY-UHFFFAOYSA-N	235.159	1.288	5	40	BDBB	
CCOc1cc(C(C)=O)c(O)c([N+](=O)[O-])c1	96295562	OCPBIZXHHIZJOE-UHFFFAOYSA-N	225.200	1.902	5	40	BDBB	
CCC(=O)c1cc([N+](=O)[O-])sc1N	15020437	NHYBBSKZVQALBB-UHFFFAOYSA-N	200.219	1.831	5	40	BDBB	
Cc1ccc(C(=O)Cn2cnc([N+](=O)[O-])c2)cc1	29749690	TUTLCSJSPNNIPP-UHFFFAOYSA-N	245.238	1.983	5	40	BDBB	
CO[C@@H]1O[C@@H](OC)c2cc([N+](=O)[O-])ccc21	1621459	GPXMTUUVYMYPHE-NXEZZACHSA-N	225.200	1.915	5	40	BDBB	
Nc1c(F)c(F)c([N+](=O)[O-])c(F)c1F	37637090	OYOHNVFWHXDRJU-UHFFFAOYSA-N	210.086	1.733	5	40	BDBB	
COC(=O)Cc1c[nH]c2cc([N+](=O)[O-])ccc12	669369959	RIUFMQLMWHVLLX-UHFFFAOYSA-N	234.211	1.792	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H]([C@@H]2CC=CCC2)N1	4377632	CGLPKGVDOFMFCQ-FXPVBKGRSA-N	224.260	1.267	5	40	BDBB	
Cc1nc(N2CC(N(C)C)C2)ccc1[N+](=O)[O-]	96492839	XAPBNGBWBKHQER-UHFFFAOYSA-N	236.275	1.048	5	40	BDBB	
O=[N+]([O-])c1ccccc1OCCn1ccnn1	128055133	DELCKDBCQYPBGJ-UHFFFAOYSA-N	234.215	1.265	5	40	BDBB	
CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990320	PDBNYDPBWBJRMQ-UHFFFAOYSA-N	234.255	1.763	5	40	BDBB	
C[C@]1(CO)Cc2cc([N+](=O)[O-])c(Cl)cc2O1	1776011387	BNBQTJVUHNIPLZ-SNVBAGLBSA-N	243.646	1.934	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2cnc([N+](=O)[O-])c2)cc1	3161083	PGGLEPBDEDPURO-UHFFFAOYSA-N	234.171	1.689	5	40	BDBB	
O=C(O)CCCn1cc([N+](=O)[O-])c(C(F)F)n1	408716800	QZORROCHFMORCA-UHFFFAOYSA-N	249.173	1.594	5	40	BDBB	
COC(=O)Cc1ccsc1[N+](=O)[O-]	94968059	SYQGOKVRCVBJJP-UHFFFAOYSA-N	201.203	1.372	5	40	BDBB	
Cc1cc(C2=CCNCC2)cc([N+](=O)[O-])c1N	71372577	UKFLRAQLRJRNKZ-UHFFFAOYSA-N	233.271	1.862	5	40	BDBB	in-vitro
Cc1c([N+](=O)[O-])c(C(F)F)nn1CCO	408717599	JSBMBFJVRGNZDN-UHFFFAOYSA-N	221.163	1.030	5	40	BDBB	
CS(C)(=O)=Nc1ccc([N+](=O)[O-])cc1	39239102	XAFHVVKXEWGDPC-UHFFFAOYSA-N	214.246	1.954	5	40	BDBB	
O=C(O)CCCOc1ccccc1[N+](=O)[O-]	11800106	CWNOXDTXZOYOAQ-UHFFFAOYSA-N	225.200	1.838	5	40	BDBB	
Nc1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-]	11919800	BIKMDLCTZFHPMK-UHFFFAOYSA-N	242.544	1.639	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1N1CCOCC1	309275878	GWXYJHSQQQJLEH-UHFFFAOYSA-N	222.244	1.740	5	40	BDBB	
C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1cccnc1	40454593	OXBKZHYUUSLBJQ-QMMMGPOBSA-N	245.242	1.953	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2=O	4006300	RCDLLVITVFOKGL-UHFFFAOYSA-N	220.184	1.062	5	40	BDBB	
O=C1C=CC(=O)N1c1ccc(F)cc1[N+](=O)[O-]	9096115	KEAITJVIVHBITH-UHFFFAOYSA-N	236.158	1.163	5	40	BDBB	
COC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1	39382796	VKHVGMRGUCBLLC-ZETCQYMHSA-N	209.201	1.871	5	40	BDBB	in-vitro
Cc1ncn(-c2ccc([N+](=O)[O-])cc2)n1	39322634	KLPAMZUCOYOCSL-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)cc1	12396590	AZJZYOFVHUGUDB-CYBMUJFWSA-N	247.298	1.879	5	40	BDBB	
CC1=Cc2ccc([N+](=O)[O-])cc2S1(=O)=O	39295885	VQJYOGFXAQZAPJ-UHFFFAOYSA-N	225.225	1.743	5	40	BDBB	
CC(C)(C)[C@@H](O)CNc1ccncc1[N+](=O)[O-]	79002775	VEJHEOIMZQPTEJ-JTQLQIEISA-N	239.275	1.809	5	40	BDBB	
NC1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	20134836	QZWDHNIUKJKZSN-UHFFFAOYSA-N	239.250	1.661	5	40	BDBB	
O=c1[nH]c2ccc3c(=O)oc(=O)c4ccc1c2c34	98022965	SBAHWGPCSXQTCP-UHFFFAOYSA-N	239.186	1.024	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(Cl)c1N	59772982	YRAOKFMNBZXHOM-UHFFFAOYSA-N	202.597	1.839	5	40	BDBB	
Cc1c(O)nc2cccc([N+](=O)[O-])c2c1O	685936889	BMIOVWWPLYQTNU-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	
Cc1ccc2nc(=O)c3cccnc3n2c1	1610181	RVXZBJKWJRNCNK-UHFFFAOYSA-N	211.224	1.551	5	40	BDBB	
CCc1nc2ccccc2c2nc(=O)c(C)nn12	12878094	WCGUWUSROXDRLJ-UHFFFAOYSA-N	240.266	1.509	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c2c1NC(=O)C2=O	31866871	RIUMTYXLQHYEOI-UHFFFAOYSA-N	206.157	1.038	5	40	BDBB	
O=C(O)c1cn(C2CCCC2)nc1[N+](=O)[O-]	95836854	QMOXBLQNFXWHNG-UHFFFAOYSA-N	225.204	1.605	5	40	BDBB	
COC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	16891103	NVXKMHUNXMXXDM-DAXSKMNVSA-N	207.185	1.781	5	40	BDBB	
O=[N+]([O-])c1ccc(NCc2ccncc2)nc1	20135431	PIQNFBAVGVESKK-UHFFFAOYSA-N	230.227	1.997	5	40	BDBB	
Cc1c[nH]c(=O)n1-c1cccc([N+](=O)[O-])c1	38342112	CBWFSQDBSMKXCO-UHFFFAOYSA-N	219.200	1.382	5	40	BDBB	in-vitro
NC1=NN=C(c2cccc([N+](=O)[O-])c2)CS1	32502429	DMSXOLPXGCHQHN-UHFFFAOYSA-N	236.256	1.360	5	40	BDBB	
CCOc1ncc([N+](=O)[O-])cc1C(=O)O	39099868	GLSREOLUIPGEMD-UHFFFAOYSA-N	212.161	1.087	5	40	BDBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1no[n+]2[O-]	2577663	CBQZOCSJIRIOTD-UHFFFAOYSA-N	249.104	1.388	5	40	BDBB	
COc1cc2c(cc1OC)C[N+](C)(C)CC2	488921	QAVSBDTVJFBPNA-UHFFFAOYSA-N	222.308	1.836	5	40	BDBB	biogenic
CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	89962800	UKPNKMNMXDOVIV-UHFFFAOYSA-N	246.226	1.943	5	40	BDBB	
CN(C)CCC(=O)c1ccc([N+](=O)[O-])cc1	1871347	SJPJHLBDGCNLAL-UHFFFAOYSA-N	222.244	1.729	5	40	BDBB	
C[C@H](N)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5335957	LLPAIWNAHYVSMS-LURJTMIESA-N	240.219	1.262	5	40	BDBB	
C[S@](=N)(=O)c1cccc([N+](=O)[O-])c1	116118643	DOVHFGDRDUHLBX-ZDUSSCGKSA-N	200.219	1.630	5	40	BDBB	
CC1=NN(C(=O)c2ccccc2[N+](=O)[O-])C(=O)C1	5416436	YCBVATCSJXAGBN-UHFFFAOYSA-N	247.210	1.343	5	40	BDBB	
COC(=O)Oc1cc(OC)ccc1[N+](=O)[O-]	16215399	HOWVAGKPYAHFKI-UHFFFAOYSA-N	227.172	1.749	5	40	BDBB	
COC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1	35333557	DHIQHVJXYJGBAI-UHFFFAOYSA-N	213.164	1.829	5	40	BDBB	in-vitro
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2C3=O)CCCC1	393220	VLPNZOYKFIEKFZ-WOPDTQHZSA-N	208.325	1.985	5	40	BDBB	
NC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	4792461	YJXHCXUVZSLKMC-UHFFFAOYSA-N	215.596	1.739	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)cc1N1CCNCC1	6756438	KNBXZNOINBXAQT-UHFFFAOYSA-N	241.678	1.658	5	40	BDBB	
O=[N+]([O-])c1cccnc1OCC(F)(F)F	12399020	CJWUDNDQJKTOOD-UHFFFAOYSA-N	222.122	1.931	5	40	BDBB	
O=C(Cc1ccccc1[N+](=O)[O-])NCC1CC1	24923663	PKNYFNIZDIJPMB-UHFFFAOYSA-N	234.255	1.664	5	40	BDBB	
CCn1nc(Br)cc1[N+](=O)[O-]	953126718	UGYLDZRJKIEDKL-UHFFFAOYSA-N	220.026	1.574	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1cc(CCO)on1	585656281	OAPABRRERSKQKB-UHFFFAOYSA-N	234.211	1.785	5	40	BDBB	in-vitro
CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1O	11638371	YZHZLSGEPAVSHT-UHFFFAOYSA-N	224.216	1.895	5	40	BDBB	
CN(C)CCCCC(=O)CC[N+](C)(C)C	1677420	VBLTXMKJXXRAJM-UHFFFAOYSA-N	215.361	1.384	5	40	BDBB	
Nc1cc([N+](=O)[O-])ccc1N1CCCC1	52840040	HFRJACOFFZTDKG-UHFFFAOYSA-N	207.233	1.777	5	40	BDBB	
CNC(=O)CNc1ccc([N+](=O)[O-])cc1Cl	9512102	KTYJRZQTUPHHAI-UHFFFAOYSA-N	243.650	1.406	5	40	BDBB	
O=[N+]([O-])c1cn(CC(F)(F)F)nc1[N+](=O)[O-]	95098574	ZSZFXOVFRPGVSR-UHFFFAOYSA-N	240.097	1.262	5	40	BDBB	
CCOC(=O)/C=C\c1ccc([N+](=O)[O-])o1	31485172	WGROOPOBLKUOMN-XQRVVYSFSA-N	211.173	1.764	5	40	BDBB	
C[C@@H](CC(C)(C)[N+](C)(C)C)[N+](C)(C)C	6437030	IOHZUJOEMGZVHB-NSHDSACASA-N	202.386	1.956	5	40	BDBB	
Nc1cc(-c2ccc([N+](=O)[O-])cc2)no1	3278212	FBFFBDKIJDJYKM-UHFFFAOYSA-N	205.173	1.832	5	40	BDBB	in-vitro
C[C@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C	4004777	BEOZEQFRINONEL-ZETCQYMHSA-N	235.243	1.762	5	40	BDBB	
O=C(O)c1ccc(-n2cc([N+](=O)[O-])cn2)cc1	21953499	DMQMABTZEVOVQE-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	
CCOc1cc([N+](=O)[O-])ccc1-n1cnnc1	70461694	YSMQDOCYYQDXIP-UHFFFAOYSA-N	234.215	1.574	5	40	BDBB	
O=[N+]([O-])c1ccc2c(Cl)n([N+](=O)[O-])nc2c1	1572343	VXRMKDMKZSZFTR-UHFFFAOYSA-N	242.578	1.638	5	40	BDBB	
O=[N+]([O-])c1cn(Cc2nc3ccccc3o2)cn1	26123409	JFZSFOVFCPWWAC-UHFFFAOYSA-N	244.210	1.981	5	40	BDBB	
CC[C@H](C)n1ncc([N+](=O)[O-])c1C(=O)O	408715806	DZDOAFBGXPZICW-YFKPBYRVSA-N	213.193	1.461	5	40	BDBB	
CC1=C([N+](=O)[O-])[C@@H](c2ccccc2)NC(=O)N1	78719	RDHOORIHIGDOCT-SECBINFHSA-N	233.227	1.549	5	40	BDBB	biogenic
CS(C)(=O)=Nc1ccccc1[N+](=O)[O-]	1776011361	LQHSZGMLSQHREH-UHFFFAOYSA-N	214.246	1.954	5	40	BDBB	
Cc1ccc(Nc2nc([N+](=O)[O-])n[nH]2)cc1	6546514	FHYVHNMYCBYYHX-UHFFFAOYSA-N	219.204	1.765	5	40	BDBB	
O=[N+]([O-])c1cccc(Cl)c1-n1cncn1	12396457	IKLNRGAVIXRFSX-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
O=[N+]([O-])c1c(N2CCC2)nc2sccn12	23618461	JWIXNAOBOOXBRT-UHFFFAOYSA-N	224.245	1.514	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)C	21768682	PMZUOFBWAOZDMU-UHFFFAOYSA-N	224.216	1.305	5	40	BDBB	
CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	48430639	PYGKOUDMIQDHME-UHFFFAOYSA-N	223.232	1.020	5	40	BDBB	
O=C(Nc1nccs1)c1n[nH]cc1[N+](=O)[O-]	6414458	ZLXXKJCPFARTMP-UHFFFAOYSA-N	239.216	1.027	5	40	BDBB	
CN(CCO)Cc1ccc([N+](=O)[O-])cc1	38762477	WHPGFIPBWHDGGE-UHFFFAOYSA-N	210.233	1.019	5	40	BDBB	
N=C(N)NSc1ccccc1[N+](=O)[O-]	19418225	PTFHJSQWCNTBGA-UHFFFAOYSA-N	212.234	1.085	5	40	BDBB	
CC1=NN(c2ccccc2)[C@H](C)[C@@H]1[N+](=O)[O-]	96670	LHJCCNGHUYYUFA-MWLCHTKSSA-N	219.244	1.916	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	2566092	DFAVWLKOYKKDFX-UHFFFAOYSA-N	212.117	1.021	5	40	BDBB	
CN(C)CCCNCc1cccc([N+](=O)[O-])c1	57362383	JSUVCIHUKILZSJ-UHFFFAOYSA-N	237.303	1.636	5	40	BDBB	
N[C@H](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	44283631	QPQIVFYGZYMIKD-SSDOTTSWSA-N	244.634	1.203	5	40	BDBB	
N[C@H](CC(=O)O)c1ccc(F)c([N+](=O)[O-])c1	44216842	FQQBZLDKAWFNNG-SSDOTTSWSA-N	228.179	1.208	5	40	BDBB	in-vitro
C[C@@]1([N+](=O)[O-])C[Si](C)(C)C[C@H]1[N+](=O)[O-]	195778916	BAGSVCQDRYIULM-RNFRBKRXSA-N	218.285	1.389	5	40	BDBB	
CCN(Cn1nccc1[N+](=O)[O-])C1CC1	97506614	JFOKSLYRZSHVGI-UHFFFAOYSA-N	210.237	1.233	5	40	BDBB	
CC(C)C[C@H]([N+](C)(C)C)P(=O)(O)O	5962841	MHFOVXZPIMLKPI-MRVPVSSYSA-O	210.234	1.243	5	40	BDBB	
CCn1c2ccccc2c2nn3nnnc3nc21	2783655	MCDVDXMDMMDVIV-UHFFFAOYSA-N	239.242	1.042	5	40	BDBB	
Cc1ccc(S(=O)(=O)O)cc1[N+](=O)[O-]	1848457	GJYYWZTYFNSZRP-UHFFFAOYSA-N	217.202	1.150	5	40	BDBB	
O=C(O)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2[N+](=O)[O-]	108424418	XDXSQNDERUKYLD-FNPGPVBOSA-N	225.244	1.543	5	40	BDBB	
O=c1c2cc([N+](=O)[O-])ccc2nc2n1CCCC2	3645820	PTSFVRFRBZBCGS-UHFFFAOYSA-N	245.238	1.641	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(C=O)c1OC	4290819	KWXFQMHMUVDCGC-UHFFFAOYSA-N	211.173	1.425	5	40	BDBB	
C[C@@H](CO)Sc1ncccc1[N+](=O)[O-]	78676285	POBCFQQZPFNOCM-LURJTMIESA-N	214.246	1.463	5	40	BDBB	
Cc1[nH]c2ccccc2c(=O)c1[N+](=O)[O-]	19816173	QWWAYKRVWITZEN-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	
O=[N+]([O-])c1cccn2c(C(F)F)nnc12	1848351030	QMCZGYLVZJNQST-UHFFFAOYSA-N	214.131	1.575	5	40	BDBB	
NC(=O)c1cnc(Cl)c([N+](=O)[O-])c1Cl	85224005	HCIGQJWIYUIECM-UHFFFAOYSA-N	236.014	1.396	5	40	BDBB	
CCCCOCCn1ccc(=O)c([N+](=O)[O-])c1	96468078	TXDZTKIOHYZNEW-UHFFFAOYSA-N	240.259	1.573	5	40	BDBB	
Cn1nnc(Sc2ccc([N+](=O)[O-])cc2)n1	332133	XAHGOKLGWZBVOZ-UHFFFAOYSA-N	237.244	1.270	5	40	BDBB	
CN(Cc1ccccc1[N+](=O)[O-])c1cnn(C)c1	81092787	SRVJIXWDUZKYQD-UHFFFAOYSA-N	246.270	1.965	5	40	BDBB	
O=[N+]([O-])c1cn(-c2ccc(F)cc2)cn1	72190621	FOIATWGBQMPJJP-UHFFFAOYSA-N	207.164	1.920	5	40	BDBB	
O=C1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1	351081	KQJCFBNTFBMHJB-UHFFFAOYSA-N	234.211	1.357	5	40	BDBB	
Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1	69433347	PAALGQIVQCRWGA-UHFFFAOYSA-N	247.214	1.274	5	40	BDBB	
Cc1nc(N)c([N+](=O)[O-])c(C)c1Br	25726014	AWUOLSBKAQIADQ-UHFFFAOYSA-N	246.064	1.951	5	40	BDBB	
O=[N+]([O-])C[C@@H]1CCCC2(C1)OCCO2	144780895	ABJZYRJMWWASNF-MRVPVSSYSA-N	201.222	1.196	5	40	BDBB	
CCCn1nc(Br)cc1[N+](=O)[O-]	953126720	VXPDFRGRXXQMAB-UHFFFAOYSA-N	234.053	1.964	5	40	BDBB	
CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1	5456485	NBDKJRNBTBHWNK-UHFFFAOYSA-N	208.217	1.653	5	40	BDBB	
Cc1cc(Cn2nc(C)c([N+](=O)[O-])c2C)no1	7828359	AXSJEVIYKWFCII-UHFFFAOYSA-N	236.231	1.753	5	40	BDBB	
c1cc2ccc3ccc[n+]4c3c2[n+](c1)CCC4	4984353	VVCUMCOARYCLHE-UHFFFAOYSA-N	222.291	1.972	5	40	BDBB	
O=[N+]([O-])c1cn(Cc2cccc(F)c2)cn1	40489741	JZWAYXJCXWCBPC-UHFFFAOYSA-N	221.191	1.979	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H](C2CCCCC2)N1	100964	FZTTVMXAWJJCSB-ONGXEEELSA-N	226.276	1.491	5	40	BDBB	
O=C(O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O	1625461	MLBHMFODFBLWRF-UHFFFAOYSA-N	237.167	1.147	5	40	BDBB	
CC(C)NC(=O)COc1ccccc1[N+](=O)[O-]	3382120	FVOWVJRGIMDQAF-UHFFFAOYSA-N	238.243	1.498	5	40	BDBB	
Cc1cc(S(=O)(=O)N(C)C)ccc1[N+](=O)[O-]	71909086	WFFYRBXSAHWWFO-UHFFFAOYSA-N	244.272	1.154	5	40	BDBB	
C[C@](Cl)(CO[C@@H]1CCCCO1)[N+](=O)[O-]	34586429	XXIXCGZPUSLGPY-HTQZYQBOSA-N	223.656	1.761	5	40	BDBB	in-vitro
CCCCCC(=O)OCC[N+](C)(C)C	1736031	FKJUAGXPCITGLZ-UHFFFAOYSA-N	202.318	1.816	5	40	BDBB	endogenous,in-man
O=[N+]([O-])c1ccc(Cn2ccc([N+](=O)[O-])n2)cc1	67796694	SUOPQRNPBZCLAS-UHFFFAOYSA-N	248.198	1.748	5	40	BDBB	
C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CCN1	71978892	QAYNJNKTUBDOLT-VIFPVBQESA-N	249.270	1.029	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)c(O)c(-n2cnnc2)c1	216752242	ABQYZNFDDAADBP-UHFFFAOYSA-N	240.606	1.535	5	40	BDBB	
O=[N+]([O-])c1ccccc1OC[C@H]1CCCNC1	42782903	BGCMJHWSOXRZHS-JTQLQIEISA-N	236.271	1.973	5	40	BDBB	
CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	5956205	SYWMIOFIFBKHTK-UHFFFAOYSA-N	212.161	1.771	5	40	BDBB	
O=[N+]([O-])c1cccc(OC[C@H]2CCCNC2)c1	14631323	PARVPNYLZOOZES-JTQLQIEISA-N	236.271	1.973	5	40	BDBB	
COc1cc(C)c([N+](=O)[O-])c(C(N)=O)c1	521400085	ADGYVXVEPLZKHL-UHFFFAOYSA-N	210.189	1.011	5	40	BDBB	
COc1cc([N+](=O)[O-])cc(/C=C(\C)CO)c1O	40545019	COIJBKSGCJKPOD-XVNBXDOJSA-N	239.227	1.705	5	40	BDBB	
CC(=O)O[C@H]1C[C@@H]2CCCC[C@@H]2[N+](C)(C)C1	5395487	HIOCBGYLJFSZOO-AVGNSLFASA-N	226.340	1.957	5	40	BDBB	
O=Cc1ccc(-n2cccn2)c([N+](=O)[O-])c1	26514477	RZUDRZDNXIJYLV-UHFFFAOYSA-N	217.184	1.593	5	40	BDBB	
C[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1	48543900	DQRDROFKBAQJDH-SSDOTTSWSA-N	237.263	1.203	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])c2ncccc2c1	26440654	ISLSKJVKBAZZII-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	
CCN(CCO)Cc1ccc([N+](=O)[O-])cc1	49754178	WNVOVCIAMGKZAS-UHFFFAOYSA-N	224.260	1.409	5	40	BDBB	
COc1cc(Cl)c([N+](=O)[O-])cc1C(N)=O	45957434	DMMIWCICKHAXTD-UHFFFAOYSA-N	230.607	1.356	5	40	BDBB	
C[C@@]1([N+](=O)[O-])COCN(Cc2ccccc2)C1	20032764	BNSGAWSGAXBPGH-LBPRGKRZSA-N	236.271	1.512	5	40	BDBB	
CC1(C)Oc2cc(N)c([N+](=O)[O-])cc2O1	4115592	IANVKUIMAHXNOX-UHFFFAOYSA-N	210.189	1.684	5	40	BDBB	
CC(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1	20496242	FVIDBBHKYLJLAA-UHFFFAOYSA-N	248.198	1.603	5	40	BDBB	
Cc1c([N+](=O)[O-])c(=O)[nH]c2ccccc12	85398456	SQWBQCFHVHKLDA-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	
O=c1ccc(-c2ccccc2[N+](=O)[O-])n[nH]1	36168295	PPOOKRDNXQWOFM-UHFFFAOYSA-N	217.184	1.345	5	40	BDBB	
CC(C)(C)OC(=O)CCCC[N+](=O)[O-]	1857793842	GCGVQMBCRKALRZ-UHFFFAOYSA-N	203.238	1.775	5	40	BDBB	
COc1ccc2[nH]cc(CCN)c2c1[N+](=O)[O-]	518941	XSQINWNNKSQCOH-UHFFFAOYSA-N	235.243	1.586	5	40	BDBB	biogenic
CCCC1OCC(CC)([N+](=O)[O-])CO1	1599392	MPWDGAHTGODYEE-UHFFFAOYSA-N	203.238	1.585	5	40	BDBB	
CC(C)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	8777318	FWPWSDMMTZBAIP-UHFFFAOYSA-N	248.238	1.847	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1NCC(=O)NC1CC1	9157256	ODRDDMMDMPITAG-UHFFFAOYSA-N	249.270	1.594	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1O[C@@H]1CCNC1	51868534	VISVENUMUZKRDL-SSDOTTSWSA-N	226.207	1.475	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])cc(Cl)n1	214919725	SLSQPCUSVSYWQA-UHFFFAOYSA-N	216.580	1.430	5	40	BDBB	in-vitro
Nc1ccc(-c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1	17108389	QRLOYQFKXBLOAB-UHFFFAOYSA-N	231.211	1.532	5	40	BDBB	
O=C(O)CSc1cccc([N+](=O)[O-])c1	346047	JEXWGRCQMMPHBH-UHFFFAOYSA-N	213.214	1.772	5	40	BDBB	
Cc1cc2nc3c(N)ccc(N)c3nc2cc1N	4773540	ALTCXBCOPURYTA-UHFFFAOYSA-N	239.282	1.838	5	40	BDBB	
O=C(c1ccccc1O)c1[nH]ncc1[N+](=O)[O-]	6659035	ANYLZABLWSVIKE-UHFFFAOYSA-N	233.183	1.255	5	40	BDBB	
C[N+](C)(C)CCN[N+]1(C)CCCc2ccccc21	1561530	OYBAXZQESJUZKL-UHFFFAOYSA-N	249.402	1.781	5	40	BDBB	in-vitro
O=[N+]([O-])c1cnccc1NC[C@@H]1CCCO1	20370370	HECKSMIQBAMODJ-QMMMGPOBSA-N	223.232	1.581	5	40	BDBB	
O=[N+]([O-])c1ccc(COC2CCNCC2)cc1	37390709	STYDXIWJEWJPAI-UHFFFAOYSA-N	236.271	1.863	5	40	BDBB	
CO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	220887211	ZMUKUSPOMPSHQQ-SECBINFHSA-N	225.200	1.237	5	40	BDBB	
CC(C)Oc1nc(Cl)ncc1[N+](=O)[O-]	95831303	OYNYBMBZNDNLHY-UHFFFAOYSA-N	217.612	1.825	5	40	BDBB	
CCOC(=O)c1ccnc(F)c1[N+](=O)[O-]	257197982	PAAPVMGBZWCOEI-UHFFFAOYSA-N	214.152	1.306	5	40	BDBB	
CCCNC(=O)Cc1ccccc1[N+](=O)[O-]	5591227	HVAZLUHJIJABCK-UHFFFAOYSA-N	222.244	1.664	5	40	BDBB	
Cn1c2ccccc2c2nn3cnnc3nc21	1731279	SPQLKZCQNLPYMW-UHFFFAOYSA-N	224.227	1.164	5	40	BDBB	
Cc1cn([C@H](C)CC(=O)O)nc1[N+](=O)[O-]	69760170	MRNATYICNGDOQT-ZCFIWIBFSA-N	213.193	1.135	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(NN)cc1Cl	40541560	AUSPGIPSTWRFGP-UHFFFAOYSA-N	201.613	1.842	5	40	BDBB	
COc1c(C)cc([N+](=O)[O-])cc1C(N)=O	40545303	NHYRYWUVSDAXDQ-UHFFFAOYSA-N	210.189	1.011	5	40	BDBB	
Nc1nnc(/C=C/c2cccc([N+](=O)[O-])c2)o1	216747422	BXUFBVVDAPXHKI-SNAWJCMRSA-N	232.199	1.730	5	40	BDBB	
NCc1ccc([C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	199775755	SIBDYZUWBXCDJP-SECBINFHSA-N	249.270	1.047	5	40	BDBB	
O=[N+]([O-])Cc1ncccc1Br	199769131	PZNQNPIMIARDSN-UHFFFAOYSA-N	217.022	1.621	5	40	BDBB	
O=[N+]([O-])/C=C/c1ccc2c(c1)OCCO2	5344555	IOQOWPIWGFTIAM-ONEGZZNKSA-N	207.185	1.705	5	40	BDBB	
CC[C@@H](C)n1ncc([N+](=O)[O-])c1C(=O)O	408715805	DZDOAFBGXPZICW-RXMQYKEDSA-N	213.193	1.461	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1OC1CCNCC1	67800849	IZLPPBURLWUIOG-UHFFFAOYSA-N	240.234	1.865	5	40	BDBB	
COc1c(C(=O)O)ccc([N+](=O)[O-])c1O	97212749	BAHBSTAHSQFSPF-UHFFFAOYSA-N	213.145	1.007	5	40	BDBB	in-vitro
CC1(C)COc2ccc([N+](=O)[O-])cc2NC1=O	34936192	FOMIYORDGVQVOP-UHFFFAOYSA-N	236.227	1.952	5	40	BDBB	
CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	32826064	BSNLSVAPAHNTHI-UHFFFAOYSA-N	237.263	1.203	5	40	BDBB	
O=C(Nc1ccccc1)c1n[nH]cc1[N+](=O)[O-]	13115075	NDNHDCHGOIFCAK-UHFFFAOYSA-N	232.199	1.570	5	40	BDBB	
COC(=O)c1ccc(C)c(O)c1[N+](=O)[O-]	1757535	LTGNNMNPRYIBRG-UHFFFAOYSA-N	211.173	1.395	5	40	BDBB	
Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	50201380	DVCARKVTBJEKCS-UHFFFAOYSA-N	221.216	1.069	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCSC2)nc1	69538805	YMTOJUGCDPYRAG-UHFFFAOYSA-N	211.246	1.501	5	40	BDBB	
CN(C)c1ccc([N+](=O)[O-])cc1-n1cnnc1	70461798	HFMXDMCXHMBXLW-UHFFFAOYSA-N	233.231	1.242	5	40	BDBB	
CC(C)(C)[C@H](O)CNc1ccncc1[N+](=O)[O-]	79002769	VEJHEOIMZQPTEJ-SNVBAGLBSA-N	239.275	1.809	5	40	BDBB	
Nc1c(Cl)cc(Cl)nc1[N+](=O)[O-]	575432159	KCFNTGRZKBVINV-UHFFFAOYSA-N	208.004	1.879	5	40	BDBB	
C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC(N)=O	72578850	MEBCEIIBCIMHBX-QMMMGPOBSA-N	237.259	1.073	5	40	BDBB	
O=[N+]([O-])c1ccc(OC2CNC2)c(Cl)c1	42770152	LFPLGGPNISHGEX-UHFFFAOYSA-N	228.635	1.599	5	40	BDBB	
CCn1nnnc1NCc1cccc([N+](=O)[O-])c1	8340118	WYWKIACRRQJEAD-UHFFFAOYSA-N	248.246	1.213	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1N1CC[C@H](O)C1	67800541	JRYLCDDQJXVXBH-ZETCQYMHSA-N	226.207	1.305	5	40	BDBB	
C[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O	39209471	OYVPRJZBBVQUQJ-ZETCQYMHSA-N	209.201	1.858	5	40	BDBB	
Cc1cc([N+](=O)[O-])c2occ(C=O)c(=O)c2c1	33495334	SXWLMTKBGJSOBH-UHFFFAOYSA-N	233.179	1.822	5	40	BDBB	
Cc1nn(C)c(NCCc2ccc[nH]2)c1[N+](=O)[O-]	96492124	BVVYWZCFMXEWQX-UHFFFAOYSA-N	249.274	1.619	5	40	BDBB	
C[N+]1(C[C@H]2COC3(CCCC3)O2)CCCC1	185909	RMINGDOHLCTLQW-LBPRGKRZSA-N	226.340	1.913	5	40	BDBB	
COc1cc(NC(C)=O)c([N+](=O)[O-])cc1OC	4018322	AIILCGRGFNDZBC-UHFFFAOYSA-N	240.215	1.570	5	40	BDBB	
COc1c(C(N)=O)cc(C(C)C)cc1[N+](=O)[O-]	57339206	CQGNQNNKGPNGFL-UHFFFAOYSA-N	238.243	1.826	5	40	BDBB	
CCNC(=O)Nc1ncccc1[N+](=O)[O-]	408567917	QKRHUBFNPBTZNT-UHFFFAOYSA-N	210.193	1.131	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1S(C)(=O)=O	34211468	ZYYSUWBRKYMQRN-UHFFFAOYSA-N	215.230	1.307	5	40	BDBB	
Nc1cc([N+](=O)[O-])ccc1N1C(=O)CCCC1=O	5580556	MOUNJABOHJYSJO-UHFFFAOYSA-N	249.226	1.221	5	40	BDBB	
CCOC(=O)[C@H]1Cc2cccc([N+](=O)[O-])c2O1	95836508	WEHXHGQNJKVNOQ-SECBINFHSA-N	237.211	1.461	5	40	BDBB	
CC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1	95974748	VMKNZMLATMEIAM-UHFFFAOYSA-N	239.275	1.733	5	40	BDBB	
O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1O	1706150	MDOWEUXXLVBZIU-UHFFFAOYSA-N	202.097	1.348	5	40	BDBB	
COc1cc([N+](=O)[O-])c(N)c(Cl)c1OC	256055112	ZGMQJUFPBSWQBU-UHFFFAOYSA-N	232.623	1.848	5	40	BDBB	
CC(C)N1Cc2cc([N+](=O)[O-])ccc2CC1=O	256049789	BLGKDBPWJVFBFA-UHFFFAOYSA-N	234.255	1.888	5	40	BDBB	
CCOC(=O)[C@H](C)Oc1ncccc1[N+](=O)[O-]	5585726	VVTAWIZGQXRQTK-ZETCQYMHSA-N	240.215	1.320	5	40	BDBB	
CC(C)(CO)NCc1ccc([N+](=O)[O-])cc1	6883156	OYDZAXPQPLOMJR-UHFFFAOYSA-N	224.260	1.455	5	40	BDBB	
Cc1ccn(C(=O)c2ccccc2[N+](=O)[O-])n1	587242	OLUJPXFMQSSMIC-UHFFFAOYSA-N	231.211	1.788	5	40	BDBB	
CCOC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1	1684374	IOAWBDJZTBCMCG-UHFFFAOYSA-N	238.199	1.096	5	40	BDBB	
O=C(NC1CCCCC1)c1nc[nH]c1[N+](=O)[O-]	4876749	UBMYUYBLCYFYCC-UHFFFAOYSA-N	238.247	1.380	5	40	BDBB	
CCOCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1	84801129	ZIPZBRWHHRDXMZ-UHFFFAOYSA-N	239.231	1.273	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(OCC(F)F)n1	252478474	ANBGYYSKOOOEIH-UHFFFAOYSA-N	221.163	1.455	5	40	BDBB	
COCCn1c(=O)oc2ccc([N+](=O)[O-])cc21	32778965	OADSTKCACQZCNO-UHFFFAOYSA-N	238.199	1.149	5	40	BDBB	
C[C@]1([N+](=O)[O-])C[Si](C)(C)C[C@H]1[N+](=O)[O-]	195778914	BAGSVCQDRYIULM-RQJHMYQMSA-N	218.285	1.389	5	40	BDBB	
CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C	37107151	SFSJAOSKCIIEPS-UHFFFAOYSA-N	237.259	1.363	5	40	BDBB	
Nc1cc2[nH]c(=O)c3ccccc3c2cc1N	16924832	WGUJBVYCTQXPPK-UHFFFAOYSA-N	225.251	1.846	5	40	BDBB	
Cc1cnnn1-c1ccc([N+](=O)[O-])cc1	275681	LNNFWMOIJXTSKK-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
CC[C@@](C)(O)CNc1ncccc1[N+](=O)[O-]	58195402	JCJWDPRLPLYEBZ-SNVBAGLBSA-N	225.248	1.563	5	40	BDBB	
O=C1CC(c2ccc([N+](=O)[O-])cc2)CC(=O)N1	91302143	CLNUBVHQUXBQSK-UHFFFAOYSA-N	234.211	1.115	5	40	BDBB	
C[N+](C)(C)CCCNC(=O)c1ccccc1O	5696877	LESBDANBZRIUMW-UHFFFAOYSA-O	237.323	1.218	5	40	BDBB	
CC(C)(N)COC(=O)c1ccc([N+](=O)[O-])cc1	1724778	KWGKSXXZVKSTJM-UHFFFAOYSA-N	238.243	1.489	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)c(-n2cnnc2)c1	70461535	FTZZHGIXXDQSNM-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
Nc1ccc(OCCCF)cc1[N+](=O)[O-]	95094031	MEMICFAFZGWIEJ-UHFFFAOYSA-N	214.196	1.915	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(OCC(=O)O)c1	2526121	RSGIEBXUDPOQPJ-UHFFFAOYSA-N	211.173	1.367	5	40	BDBB	
O=C(O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	37380810	MZCREXORTQFYPP-BDAKNGLRSA-N	207.185	1.783	5	40	BDBB	
Nc1ccc([N+](=O)[O-])c(N2CCOCC2)c1	12352243	DUNMXMVUKQHJPA-UHFFFAOYSA-N	223.232	1.014	5	40	BDBB	
C[N+](C)(C)CCC[N+]1(C)CCCCC1	33646962	SFQBFMBMLLKIFD-UHFFFAOYSA-N	200.370	1.713	5	40	BDBB	
O=C1C[C@@H](C(=O)O)c2ccc([N+](=O)[O-])cc21	95094166	DSONKBUOHDTUQU-MRVPVSSYSA-N	221.168	1.349	5	40	BDBB	
Cc1cc(N2CCNCC2)c(F)cc1[N+](=O)[O-]	4183910	AZPCWIIIJMTUHA-UHFFFAOYSA-N	239.250	1.452	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc(-n2cnnc2)c1O	85345220	ZCRYXSMOBXTPDC-UHFFFAOYSA-N	220.188	1.190	5	40	BDBB	
Cn1nc(C2CCCC2)c([N+](=O)[O-])c1N	96527804	ZTRWDTUZMMIMBA-UHFFFAOYSA-N	210.237	1.568	5	40	BDBB	
Cc1cc(C)n(-c2ncccc2[N+](=O)[O-])n1	110656	WHYUYNMOCOSTEO-UHFFFAOYSA-N	218.216	1.792	5	40	BDBB	
CN(C)CCCOc1ccc([N+](=O)[O-])cc1	38588502	LZAUJKLXJFELOL-UHFFFAOYSA-N	224.260	1.925	5	40	BDBB	
Cc1cc(OC[C@H]2CCNC2)ccc1[N+](=O)[O-]	42773510	GMVIEYGAXXZULC-JTQLQIEISA-N	236.271	1.892	5	40	BDBB	
CONC(=O)c1ccc([N+](=O)[O-])c(C)c1	13024301	ODJNVADVHMCZJR-UHFFFAOYSA-N	210.189	1.194	5	40	BDBB	
O=[N+]([O-])c1cc(CSC[C@@H](O)CO)cs1	89764681	SMTQJDUPNFBCLI-ZETCQYMHSA-N	249.313	1.243	5	40	BDBB	
Cc1cc(=O)c2ccc([N+](=O)[O-])cc2[nH]1	39185913	RISSXSDSYFLKOV-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	
O=C(O)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1	20594121	IROSEBFOFFTHIM-VIFPVBQESA-N	236.183	1.172	5	40	BDBB	
NCCn1ccc(-c2cccc([N+](=O)[O-])c2)n1	72206339	LKZSVRZWFQTLDS-UHFFFAOYSA-N	232.243	1.417	5	40	BDBB	
O=Cc1ccc([N+](=O)[O-])c(N2CCOCC2)c1	95081235	FAJSCBIMFMOQMQ-UHFFFAOYSA-N	236.227	1.244	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2ncnc3ccsc23)c1	96460526	YYUFHLLCUZTZBH-UHFFFAOYSA-N	247.239	1.785	5	40	BDBB	
C[C@H](CC(=O)O)n1ncc([N+](=O)[O-])c1C(F)F	408715969	HIHMIQJQKYUXAF-SCSAIBSYSA-N	249.173	1.765	5	40	BDBB	
Cc1ccc(C(=O)n2ccc([N+](=O)[O-])n2)cc1	78678	PQRIEIACDJITID-UHFFFAOYSA-N	231.211	1.788	5	40	BDBB	in-vivo
O=[N+]([O-])c1ccc(N2CCC[C@@H](O)C2)c(F)c1	32923273	ONZKPOIEYFXTQB-SECBINFHSA-N	240.234	1.695	5	40	BDBB	
CC(C)NC(=O)CCCn1cc([N+](=O)[O-])cn1	1432072	NNUDPOOMDGDABF-UHFFFAOYSA-N	240.263	1.096	5	40	BDBB	
COc1cccc([C@H](CC(=O)O)C[N+](=O)[O-])c1	57529599	SUIRTDYSHLDGEC-SECBINFHSA-N	239.227	1.530	5	40	BDBB	
O=[N+]([O-])c1ncccc1NN1CCCCC1	95081123	DTEJVOSWDJOIMW-UHFFFAOYSA-N	222.248	1.803	5	40	BDBB	
COC(=O)CCCOc1ccc([N+](=O)[O-])cc1	2584492	MJMZBXYBWMBFNY-UHFFFAOYSA-N	239.227	1.927	5	40	BDBB	
CCc1nnnn1-c1ccc([N+](=O)[O-])cc1C	4950833	HLXFXCKSHAECNE-UHFFFAOYSA-N	233.231	1.441	5	40	BDBB	
CN(C)c1c([N+](=O)[O-])cc(C=O)cc1[N+](=O)[O-]	72193689	JDBCQDMRFXCALD-UHFFFAOYSA-N	239.187	1.382	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1	100487453	MURDSWGYWHGJMH-YOQJGNTNSA-N	236.271	1.123	5	40	BDBB	
O=[N+]([O-])c1ccc(NCCc2ccc[nH]2)nc1	95460495	VYBFTBKODKGBTJ-UHFFFAOYSA-N	232.243	1.973	5	40	BDBB	
Cc1nn([C@H](C)C(=O)O)c(C(F)F)c1[N+](=O)[O-]	408717298	YBFILTYPTJKLAD-SCSAIBSYSA-N	249.173	1.683	5	40	BDBB	
CC(C)(C)[C@H](CO)Nc1ncccc1[N+](=O)[O-]	78821683	PVGPLBNWWYNIDM-VIFPVBQESA-N	239.275	1.809	5	40	BDBB	
COc1cc(N2CC[C@H](N)C2)ccc1[N+](=O)[O-]	91356025	JRIWVVGOWGJRLQ-QMMMGPOBSA-N	237.259	1.141	5	40	BDBB	
O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccncc12	199790695	FNBQKJSMQWRTEK-UHFFFAOYSA-N	240.218	1.775	5	40	BDBB	
Cc1nc(N)nc(N)c1-c1ccc([N+](=O)[O-])cc1	13284970	GYEJYLAGVWRSIM-UHFFFAOYSA-N	245.242	1.525	5	40	BDBB	
Cc1cc(OC(=O)C(C)C)c([N+](=O)[O-])c(=O)[nH]1	2455491	QVCZJRADLJGCHG-UHFFFAOYSA-N	240.215	1.153	5	40	BDBB	
O=[N+]([O-])c1ccncc1NN1CCCCC1	95081368	OBFYSCIWCAJXKI-UHFFFAOYSA-N	222.248	1.803	5	40	BDBB	
CCc1cc(C(N)=O)c(OC)c([N+](=O)[O-])c1	57339203	ZKORKQNQWPXVGI-UHFFFAOYSA-N	224.216	1.265	5	40	BDBB	
CCSCCn1ccc(=O)c([N+](=O)[O-])c1	84812092	XTNDVGUDFSDECZ-UHFFFAOYSA-N	228.273	1.510	5	40	BDBB	
CCCCNCc1cc([N+](=O)[O-])nn1C	408715777	DNDPTFRYHAGRST-UHFFFAOYSA-N	212.253	1.218	5	40	BDBB	
Cc1ccc(O[C@@H]2CCNC2)c([N+](=O)[O-])c1	42782889	OJRIYKBNXFQDHH-SECBINFHSA-N	222.244	1.644	5	40	BDBB	
CCOCCSc1c([N+](=O)[O-])c(C)nn1C	96436781	KWARJWWNQBNFPY-UHFFFAOYSA-N	245.304	1.765	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc3ncccn23)cc1	1566954	ZXLIMAGSJGAAKU-UHFFFAOYSA-N	241.210	1.700	5	40	BDBB	
O=[N+]([O-])c1ccc(C[N+]23CCN(CC2)CC3)cc1	1726781	IYSITXDWXFICSC-UHFFFAOYSA-N	248.306	1.241	5	40	BDBB	
CCc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	57339060	XAHWEVSBOJWUDG-UHFFFAOYSA-N	211.173	1.561	5	40	BDBB	
O=C(O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	37380812	MZCREXORTQFYPP-DTWKUNHWSA-N	207.185	1.783	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CC[C@H](CCO)C1	78364974	UHSOUBRWBZJALD-SNVBAGLBSA-N	236.271	1.804	5	40	BDBB	
CC1(C)CNCCN1c1ccc([N+](=O)[O-])nc1	88147104	WTUJFWSCFTXYDD-UHFFFAOYSA-N	236.275	1.178	5	40	BDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCO1	22195787	ZSGFGNKYMISDCM-QMMMGPOBSA-N	223.232	1.215	5	40	BDBB	
O=C(O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	37380815	MZCREXORTQFYPP-RKDXNWHRSA-N	207.185	1.783	5	40	BDBB	
Cc1nn2c(C)nc3ccccc3c2nc1=O	12878100	DJQROTHLBXVOIH-UHFFFAOYSA-N	226.239	1.255	5	40	BDBB	
NCCNc1cc(Cl)ccc1[N+](=O)[O-]	5511625	XINUPZZZAOENTH-UHFFFAOYSA-N	215.640	1.619	5	40	BDBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CC[C@H]2C1	17325406	RIEUJROYQIQIKK-NNQSOWQGSA-N	212.381	1.569	5	40	BDBB	
O=c1ccc([N+](=O)[O-])cn1CCc1ccncc1	25054702	IRFLJNYKQUKBAS-UHFFFAOYSA-N	245.238	1.394	5	40	BDBB	
O=[N+]([O-])c1ccc2c(CO)c(O)ccc2c1	40546159	SQEMUHRDMZERPC-UHFFFAOYSA-N	219.196	1.946	5	40	BDBB	
CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	45163891	PHHBYXPZRKYLEA-UHFFFAOYSA-N	246.226	1.140	5	40	BDBB	
CC[N+]1([C@H]2CC[C@@H]3CC[C@@H]2C3=O)CCOCC1	104136610	MXWPXGWUDJCQTO-AVGNSLFASA-N	238.351	1.611	5	40	BDBB	
CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	4181854	GFLLZYNJUBWDLB-UHFFFAOYSA-N	239.187	1.171	5	40	BDBB	
Nc1ncc(-c2cccc([N+](=O)[O-])c2)o1	34883643	ZEBPCWSOYBJQMU-UHFFFAOYSA-N	205.173	1.832	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc2sc(=O)[nH]c12	73638438	UYQKYISYFAJDGP-UHFFFAOYSA-N	210.214	1.806	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])c(Cl)cc1O	45957396	KGJTZPXSUKKAQJ-UHFFFAOYSA-N	217.564	1.652	5	40	BDBB	
CC1=N/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)O1	5012832	ORBAXRKSMIAQFI-DAXSKMNVSA-N	238.224	1.972	5	40	BDBB	
O=C(O)c1cc(F)c(O)c([N+](=O)[O-])c1	145955896	JGABJUOSCZREIE-UHFFFAOYSA-N	201.109	1.138	5	40	BDBB	
Cn1nc(-c2ccccc2)nc1[N+](=O)[O-]	1678426	NFBMECIYSPOVDT-UHFFFAOYSA-N	204.189	1.390	5	40	BDBB	
N[C@@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O	3954093	AWLWPSSHYJQPCH-VIFPVBQESA-N	249.226	1.031	5	40	BDBB	in-vitro
Nc1cc(N2CCC[C@H](O)C2)ccc1[N+](=O)[O-]	33975826	INKMWMCBCMAFDY-VIFPVBQESA-N	237.259	1.138	5	40	BDBB	
COC(=O)c1sc([N+](=O)[O-])cc1OC	96511076	CXVXOYPRLFLHMW-UHFFFAOYSA-N	217.202	1.452	5	40	BDBB	
Cc1ccc(N2CCNCC2)cc1[N+](=O)[O-]	8413121	MWSJNAFFWBQRPQ-UHFFFAOYSA-N	221.260	1.313	5	40	BDBB	
Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1	25311721	NSARCISMJMIIDH-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
CCONC(=O)c1cccc(C)c1[N+](=O)[O-]	12728153	SHUMPGTYAPCHQF-UHFFFAOYSA-N	224.216	1.585	5	40	BDBB	
COC(=O)c1nc2cc([N+](=O)[O-])ccc2o1	72338579	ONAUIWQEAZPQEI-UHFFFAOYSA-N	222.156	1.523	5	40	BDBB	in-vitro
NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	1236716	MYPIUKNLLUEYBL-UHFFFAOYSA-N	206.157	1.440	5	40	BDBB	
O=C(O)COc1cc(F)ccc1[N+](=O)[O-]	1732244	OHDQHPUGOMHBGZ-UHFFFAOYSA-N	215.136	1.197	5	40	BDBB	
CCOC(=O)COc1ccc(C)cc1[N+](=O)[O-]	6046804	VAVCBKITIJQNEV-UHFFFAOYSA-N	239.227	1.845	5	40	BDBB	
COc1ccc2[nH]cc(C=O)c2c1[N+](=O)[O-]	96034525	PHASPLYITRWNHW-UHFFFAOYSA-N	220.184	1.897	5	40	BDBB	in-vitro
NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1	71614983	JMSWUCYUMACMDD-UHFFFAOYSA-N	219.200	1.709	5	40	BDBB	
O=[N+]([O-])c1ccccc1O[C@@H]1CCNC1	42782905	DGNJXGLDTNVYES-MRVPVSSYSA-N	208.217	1.336	5	40	BDBB	
O=[N+]([O-])c1ccc2ncc([N+](=O)[O-])c(O)c2c1	16697833	YOFJDNXGWZPDCB-UHFFFAOYSA-N	235.155	1.757	5	40	BDBB	
CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	6053308	FTYJDBDXQLPKBG-UHFFFAOYSA-N	244.272	1.283	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc(C)c1NC(N)=O	85643337	OWTFDAJOBMOAIM-UHFFFAOYSA-N	209.205	1.702	5	40	BDBB	
Cn1nc(NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	1548918727	DWBCTDVYIBCDMX-UHFFFAOYSA-N	242.235	1.675	5	40	BDBB	
O=[N+]([O-])c1cccc([S@@](=O)C(F)F)c1	28294757	VVMCOWPQRKCRSS-AWEZNQCLSA-N	221.184	1.925	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCNC2=S)cc1	71621147	FDIDPYNYTUYLCD-UHFFFAOYSA-N	223.257	1.289	5	40	BDBB	
CC1=C([N+](=O)[O-])[C@@H](c2ccc(O)cc2)NC(=O)N1	238052	DTRLZAWANIWTOV-SECBINFHSA-N	249.226	1.254	5	40	BDBB	
O=C(O)c1cc(F)c([N+](=O)[O-])cc1O	1857793638	NUSKNDDFWDWJGZ-UHFFFAOYSA-N	201.109	1.138	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NCC[C@@H]1CCCO1	24202864	LYZIHGVPDCCOEZ-QMMMGPOBSA-N	240.263	1.309	5	40	BDBB	
O=[N+]([O-])c1cnc(N2CC(CO)C2)c(Cl)c1	96011430	WLNJKCOUVYDCDM-UHFFFAOYSA-N	243.650	1.072	5	40	BDBB	
COC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1	35333459	AUGVGTSXRRNQCA-UHFFFAOYSA-N	209.201	1.998	5	40	BDBB	
O=Cc1cncn1Cc1ccccc1[N+](=O)[O-]	89202850	HXVQHUUOUFAHJL-UHFFFAOYSA-N	231.211	1.652	5	40	BDBB	
CC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1	80824689	GTUBCHGWKCCLGG-UHFFFAOYSA-N	206.201	1.457	5	40	BDBB	
Cn1nc([N+](=O)[O-])c2ccc([N+](=O)[O-])cc21	95116260	CJGQEONBRIHABM-UHFFFAOYSA-N	222.160	1.390	5	40	BDBB	
O=C1CSC(Cc2ccc([N+](=O)[O-])cc2)=N1	377529	JYGGTWXOXAXCQI-UHFFFAOYSA-N	236.252	1.809	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)n1	1548918832	JSTLLXLGUZNADJ-UHFFFAOYSA-N	242.235	1.675	5	40	BDBB	
CC(C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	6831185	OIMBUMDYMRTAFK-UHFFFAOYSA-N	223.232	1.514	5	40	BDBB	
N[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1	67800721	MMQZVQUWXQUDJP-SSDOTTSWSA-N	225.223	1.271	5	40	BDBB	
CC(=O)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	82238067	LGERXMVHKWKUAX-UHFFFAOYSA-N	239.187	1.486	5	40	BDBB	
O=[N+]([O-])c1ccc(Sc2ncn[nH]2)nc1	5555752	IWAARZIWFYBYGD-UHFFFAOYSA-N	223.217	1.259	5	40	BDBB	
O=c1ccc2cc3ccc(=O)[nH]c3cc2[nH]1	13403375	ZYVBTPKKTAQHCY-UHFFFAOYSA-N	212.208	1.370	5	40	BDBB	
C[N+]12CCC[C@@H]1[C@H]1C[C@@H](C2)c2cccc(=O)n2C1	4082221	PDBKVEXJATVUPI-MPCWIPMNSA-N	245.346	1.574	5	40	BDBB	
O=C1Cc2cc([N+](=O)[O-])c(Cl)cc2N1	12480641	KKHHDJYQGADKEQ-UHFFFAOYSA-N	212.592	1.743	5	40	BDBB	in-vitro
O=C(O)c1c(F)ccc([N+](=O)[O-])c1O	97447143	UERRYAMICLGJBJ-UHFFFAOYSA-N	201.109	1.138	5	40	BDBB	
O=C(c1ccccc1)n1cc([N+](=O)[O-])cn1	37183	DLDKTRBBAKTGJH-UHFFFAOYSA-N	217.184	1.480	5	40	BDBB	in-vivo
O=C1CCC(c2cccc([N+](=O)[O-])c2)=NN1	4776070	FXGPGOXCPDDDGY-UHFFFAOYSA-N	219.200	1.209	5	40	BDBB	
CCNC(=O)CSc1ccc([N+](=O)[O-])cc1	9450572	QQMOHPXAIYBLDB-UHFFFAOYSA-N	240.284	1.823	5	40	BDBB	
C/C(=C\c1cccc([N+](=O)[O-])c1O)CO	40544704	POEIYPJMBUSKMW-FNORWQNLSA-N	209.201	1.696	5	40	BDBB	
Cn1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])n1	1548918969	YFDBEUZLKYRVKD-UHFFFAOYSA-N	242.235	1.675	5	40	BDBB	
CCOC(=O)c1cc([N+](=O)[O-])cnc1CC	20284096	FWGSDHOSZRZYHD-UHFFFAOYSA-N	224.216	1.729	5	40	BDBB	
CC(=O)NCCCOc1ccc([N+](=O)[O-])cc1	1750816	GKDHSZZTMMWDRI-UHFFFAOYSA-N	238.243	1.500	5	40	BDBB	
CC(C)c1nn(C)c(C(=O)O)c1[N+](=O)[O-]	4294417	XHKULFSSKNIRKB-UHFFFAOYSA-N	213.193	1.150	5	40	BDBB	
Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1	32931975	JPZQCAVWBQZOSO-VHSXEESVSA-N	220.228	1.599	5	40	BDBB	
O=Cc1ccc2cc3c(nc2c1[N+](=O)[O-])OCC3	256050773	GLQBHSPSPZTTLL-UHFFFAOYSA-N	244.206	1.890	5	40	BDBB	
Cn1ccnc1-c1n[nH]c2ccc([N+](=O)[O-])cc12	11906206	QPFYSPDMTCIEPY-UHFFFAOYSA-N	243.226	1.872	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nc([N+](=O)[O-])n[nH]2)cc1	6472571	ICFDYQOVHICYSG-UHFFFAOYSA-N	235.159	1.288	5	40	BDBB	
O=[N+]([O-])c1cccnc1N1CCN2CCC[C@@H]2C1	24659581	SSVYWQCORLQPLT-SNVBAGLBSA-N	248.286	1.274	5	40	BDBB	
Nc1nc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]	22198861	AZXQQIUBKMEZII-UHFFFAOYSA-N	218.556	1.134	5	40	BDBB	
O=[N+]([O-])c1cnn(COc2ccccc2F)c1	72334139	PGVYKDAOXVPSBT-UHFFFAOYSA-N	237.190	1.967	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1O[C@@H]1CCNC1	67800855	SEURDWYODCOCMT-SSDOTTSWSA-N	226.207	1.475	5	40	BDBB	
O=[N+]([O-])c1cnc(NC2CC2)nc1NC1CC1	74237168	VYCQQEGNGVIOBI-UHFFFAOYSA-N	235.247	1.533	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc(Cl)n1	95761394	CJCXMRQSELRSIU-UHFFFAOYSA-N	202.553	1.341	5	40	BDBB	
CCN1Cc2cc([N+](=O)[O-])ccc2CC1=O	256054739	XOPAWNBCAATACT-UHFFFAOYSA-N	220.228	1.499	5	40	BDBB	
Cn1ncc([N+](=O)[O-])c1NC(=O)OC(C)(C)C	1548918885	MKRSNXYXNILOBG-UHFFFAOYSA-N	242.235	1.675	5	40	BDBB	
NCCCNc1ccc([N+](=O)[O-])c2cccnc12	4036568	SFACCKTZHGCRMY-UHFFFAOYSA-N	246.270	1.904	5	40	BDBB	
CN(C)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1	71921928	DFYATYGABYQGPX-UHFFFAOYSA-N	246.270	1.906	5	40	BDBB	
O=C1C=CC(=O)N1CCc1ccc([N+](=O)[O-])cc1	40676174	UWCSFFFOYLJQRQ-UHFFFAOYSA-N	246.222	1.062	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc(F)ccc1-n1ccnc1	57681844	XIWWYGYEZIMEPR-UHFFFAOYSA-N	207.164	1.920	5	40	BDBB	
CC(C)CNC(=O)Cc1ccccc1[N+](=O)[O-]	5497900	JRSMNIGDARCLCF-UHFFFAOYSA-N	236.271	1.910	5	40	BDBB	
COc1cc([N+](=O)[O-])c(OC)cc1[N+](=O)[O-]	38589113	KFHJRSHHELGUMP-UHFFFAOYSA-N	228.160	1.520	5	40	BDBB	
CCn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O	69536069	IGTBRBNZYBAUPM-UHFFFAOYSA-N	235.199	1.431	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CO1	77311718	IWRGQRMIHJWMIH-SECBINFHSA-N	237.211	1.575	5	40	BDBB	in-vitro
O=C(O)c1conc1-c1cccc([N+](=O)[O-])c1	226099776	QAJDZHJXIFMGBM-UHFFFAOYSA-N	234.167	1.948	5	40	BDBB	
O=[N+]([O-])C[C@H](O)c1ccccc1Cl	1672912	NSILZMQANUEUBT-QMMMGPOBSA-N	201.609	1.650	5	40	BDBB	
C[C@H](Cc1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	34410628	PBIZBFZIPYSPNN-SSDOTTSWSA-N	210.189	1.803	5	40	BDBB	
CC(=O)C(C(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1	104374993	XRDMMHZEWKHLHJ-UHFFFAOYSA-N	249.222	1.572	5	40	BDBB	
Cc1cc(O)c(C(=O)O)c(C)c1[N+](=O)[O-]	57339620	RWISKRNUEGRICU-UHFFFAOYSA-N	211.173	1.615	5	40	BDBB	
CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	6145174	MSFBIVDHLICOSY-AATRIKPKSA-N	206.201	1.354	5	40	BDBB	
Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O	5400398	UZBUHKGYOAFLSM-UHFFFAOYSA-N	231.211	1.356	5	40	BDBB	
O=C(c1ccccc1F)n1cc([N+](=O)[O-])cn1	37166	KAGZZVWHPCJTFE-UHFFFAOYSA-N	235.174	1.619	5	40	BDBB	
CC(C)(C)OC(=O)Cn1ccc([N+](=O)[O-])n1	71978627	YSHGVIXDDTXRJC-UHFFFAOYSA-N	227.220	1.133	5	40	BDBB	
O=[N+]([O-])c1ccc(F)c(-n2cnnc2)c1	70461536	STADGSMPDAECAH-UHFFFAOYSA-N	208.152	1.315	5	40	BDBB	
CN(C)CCO[C@H](c1ccc(F)s1)[N+](=O)[O-]	228915795	NAZQRKSPOGPMMU-SECBINFHSA-N	248.279	1.741	5	40	BDBB	
CC[C@@H](C)n1cc([N+](=O)[O-])c(C(=O)O)n1	229733277	YXQXOXTWDFRIFM-RXMQYKEDSA-N	213.193	1.461	5	40	BDBB	
Cc1ccc(-c2ccc(=O)[nH]n2)cc1[N+](=O)[O-]	20096269	KWNYJAXBNNWFBE-UHFFFAOYSA-N	231.211	1.654	5	40	BDBB	
Nc1ccc2oc3ncccc3c(=O)c2c1	338658	FQCQTEUUNFORPP-UHFFFAOYSA-N	212.208	1.923	5	40	BDBB	
CCOC(=O)c1cnc(O)c([N+](=O)[O-])c1Cl	71788966	FETZVQJUBMRFJE-UHFFFAOYSA-N	246.606	1.526	5	40	BDBB	in-vitro
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCN1	40564710	PVERFKIXBCALFK-UHFFFAOYSA-N	235.243	1.335	5	40	BDBB	
CCOc1nc(C)nc(Cl)c1[N+](=O)[O-]	501204	ZOQWQFHOAMXOSP-UHFFFAOYSA-N	217.612	1.745	5	40	BDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1	5674674	IQNYWKJEBZYOFE-JTQLQIEISA-N	236.227	1.712	5	40	BDBB	
Nc1ccc([N+](=O)[O-])c(C(F)(F)F)n1	306255597	MVZYRXSZBIZLSN-UHFFFAOYSA-N	207.111	1.591	5	40	BDBB	
COC(=O)C1CN(c2cccc([N+](=O)[O-])c2)C1	90513635	PXRGKYXXGIETHW-UHFFFAOYSA-N	236.227	1.204	5	40	BDBB	
O=C(O)c1noc2ccc([N+](=O)[O-])cc12	6094223	QUPFSFMHDFHTFT-UHFFFAOYSA-N	208.129	1.434	5	40	BDBB	
CC(C)Oc1nn([C@@H](C)C(=O)O)cc1[N+](=O)[O-]	408715727	CYBSLYBHOSMZIJ-LURJTMIESA-N	243.219	1.224	5	40	BDBB	
COCc1nc2ccc([N+](=O)[O-])cc2o1	226300274	PBDKNYCHEIELQT-UHFFFAOYSA-N	208.173	1.882	5	40	BDBB	
Cc1cc(C)n(-c2ccncc2[N+](=O)[O-])n1	13228356	GHVZSQFVDWXQNZ-UHFFFAOYSA-N	218.216	1.792	5	40	BDBB	
COc1c(C(N)=O)cc(C)cc1[N+](=O)[O-]	57339200	TUMAIPGECAEIDZ-UHFFFAOYSA-N	210.189	1.011	5	40	BDBB	
CCOc1ccc([N+](=O)[O-])cc1C(N)=O	30823056	BMZUXKCCKVPKAL-UHFFFAOYSA-N	210.189	1.092	5	40	BDBB	
Cc1nc(N2CCCC2)ccc1[N+](=O)[O-]	94993284	KNYOWGFBSDSDHN-UHFFFAOYSA-N	207.233	1.898	5	40	BDBB	
Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccco2)n1	1888901267	PIPNWWHNSIIALM-SNVBAGLBSA-N	235.243	1.959	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2onc(O)c2c1	1857794857	NKTVPUIFFCZUQL-UHFFFAOYSA-N	225.116	1.350	5	40	BDBB	
CC1([N+](=O)[O-])COC([C@H]2CC=CCC2)OC1	4706175	PNAZXIPKYFXJFX-WHXUTIOJSA-N	227.260	1.751	5	40	BDBB	
COC(=O)c1c([N+](=O)[O-])ccc(C)c1[N+](=O)[O-]	3161137	SCIWKZQHKNQLKK-UHFFFAOYSA-N	240.171	1.598	5	40	BDBB	
O=[N+]([O-])c1ccc(CNc2cnns2)o1	2532444	IUFYYGLHRLOIAR-UHFFFAOYSA-N	226.217	1.651	5	40	BDBB	
O=[N+]([O-])c1ccc(NCCc2c[nH]cn2)cc1	13758808	QBNJQLAERVRTDF-UHFFFAOYSA-N	232.243	1.973	5	40	BDBB	
Cc1nnc(-c2cc3c(cc2[N+](=O)[O-])OCO3)o1	39389349	WGCTYDWHNBIGJK-UHFFFAOYSA-N	249.182	1.682	5	40	BDBB	
O=C1OCC/C1=C/c1ccc([N+](=O)[O-])cc1	177978	IYGVSTGAXJZLHE-CLFYSBASSA-N	219.196	1.925	5	40	BDBB	
Cc1cc(NC(C)(C)CO)ncc1[N+](=O)[O-]	19815720	KRJSFTPPHZGJRD-UHFFFAOYSA-N	225.248	1.481	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc(S)o2)o1	1043492	HATDUDSSJHXUEV-UHFFFAOYSA-N	213.174	1.527	5	40	BDBB	
CC1([N+](=O)[O-])COC(c2ccco2)OC1	1697266	BWNPBULTUPLTGV-UHFFFAOYSA-N	213.189	1.360	5	40	BDBB	
NCC(=O)c1cccc(C(F)(F)F)c1[N+](=O)[O-]	169801754	GNNJTHLOUJWDKX-UHFFFAOYSA-N	248.160	1.755	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@@H](C)O	78416734	CACHROVLADCDEY-SECBINFHSA-N	239.275	1.505	5	40	BDBB	
O=C(O)C[C@H](C[N+](=O)[O-])c1ccc(F)cc1	57517557	CRZUBFCVOITKNW-MRVPVSSYSA-N	227.191	1.661	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1O[C@H]1CCNC1	14632286	DGLKVXPUUSOJFV-VIFPVBQESA-N	238.243	1.344	5	40	BDBB	
Cn1cnc(NCc2ccccc2)c1[N+](=O)[O-]	4812820	MIZWNLQEGHEAEO-UHFFFAOYSA-N	232.243	1.940	5	40	BDBB	
Cn1nc([N+](=O)[O-])cc1COCC(F)F	72209665	MNIPGEJVEHPYLQ-UHFFFAOYSA-N	221.163	1.110	5	40	BDBB	
CCC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1732223	GLTFQIXQKGAJST-UHFFFAOYSA-N	239.187	1.852	5	40	BDBB	
CCOC(=O)c1cc(OC)c(O)cc1[N+](=O)[O-]	19045405	WASBIXOONHANMQ-UHFFFAOYSA-N	241.199	1.486	5	40	BDBB	
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2O)n1	40517238	DSPUTYZFIRGJDL-HTQZYQBOSA-N	211.221	1.267	5	40	BDBB	
CCOC(=O)c1cnc2cccc([N+](=O)[O-])n12	89201810	RQOMHKVOUZKYEF-UHFFFAOYSA-N	235.199	1.419	5	40	BDBB	
CCOc1ccc([N+](=O)[O-])cc1CC(N)=O	685937267	FHQFMTQHGCJHCP-UHFFFAOYSA-N	224.216	1.021	5	40	BDBB	
CC1(C)ON=C(c2ccccc2)[C@H]1[N+](=O)[O-]	4753588	QFENGDMXCZZCNK-SNVBAGLBSA-N	220.228	1.845	5	40	BDBB	
CCOC(=N)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	4994251	XPMBXDBSGCDWIY-UHFFFAOYSA-N	239.187	1.865	5	40	BDBB	
Cc1cc(N2CCCO2)ncc1[N+](=O)[O-]	97108353	VVFMINJFHZMPJH-UHFFFAOYSA-N	209.205	1.440	5	40	BDBB	
Cc1nc([N+](=O)[O-])c(N(C)CC2CC2)n1C	65227897	FBZFNTJGBOGOKG-UHFFFAOYSA-N	224.264	1.483	5	40	BDBB	
O=[N+]([O-])c1ccnn1CCC(F)(F)F	72209416	MYNZEVZJCDSYOP-UHFFFAOYSA-N	209.127	1.744	5	40	BDBB	
Cc1c(F)cc([N+](=O)[O-])c2[nH]c(=O)ccc12	85399993	NOYNBJQSLRNECC-UHFFFAOYSA-N	222.175	1.884	5	40	BDBB	
COC(=O)COc1cc(OC)ccc1[N+](=O)[O-]	16215578	DGLFGVRQHIGEMD-UHFFFAOYSA-N	241.199	1.155	5	40	BDBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2[C@@H]3O)CCCC1	4042120	WFYRTMMCIGPRMC-QNWHQSFQSA-N	210.341	1.776	5	40	BDBB	
O=Cc1ccc2cccc([N+](=O)[O-])c2n1	1526690	QFMSLUNYDZHKBD-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	in-vitro
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)O	3887939	DOWIJKGYCPKWNC-UHFFFAOYSA-N	210.189	1.359	5	40	BDBB	in-vitro
Cc1ccc(-c2nnn(C)n2)cc1[N+](=O)[O-]	39389364	BAZLSTGJXBFOBP-UHFFFAOYSA-N	219.204	1.094	5	40	BDBB	
O=C(NCCNC1CC1)c1ccccc1[N+](=O)[O-]	54265972	DCAIIDANOTUPON-UHFFFAOYSA-N	249.270	1.077	5	40	BDBB	
Cc1ccc(OC[C@H]2CCNC2)c([N+](=O)[O-])c1	42773440	VALCPKCJKGMDBB-JTQLQIEISA-N	236.271	1.892	5	40	BDBB	
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15443259	GRDRLSLGWHAFGP-UHFFFAOYSA-N	249.270	1.297	5	40	BDBB	
C=CS(=O)(=O)c1cc(OC)ccc1[N+](=O)[O-]	87544501	BICXKHIQCRBDMD-UHFFFAOYSA-N	243.240	1.521	5	40	BDBB	
O=C(O)c1cc2ccc([N+](=O)[O-])cc2oc1=O	34497536	DJPKHKOFYXFQRV-UHFFFAOYSA-N	235.151	1.399	5	40	BDBB	
Nn1cnnc1Sc1ccccc1[N+](=O)[O-]	70462232	DRAYWEUJZCFVDO-UHFFFAOYSA-N	237.244	1.051	5	40	BDBB	
O=[N+]([O-])c1cccnc1NC[C@H]1CCCO1	20024258	KLRBXKGXINREBS-MRVPVSSYSA-N	223.232	1.581	5	40	BDBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2[C@H]3O)CCCC1	488355	WFYRTMMCIGPRMC-RNJOBUHISA-N	210.341	1.776	5	40	BDBB	
CSc1ncc([N+](=O)[O-])c(Cl)n1	98086091	HXEWSUSUUWMNRB-UHFFFAOYSA-N	205.626	1.760	5	40	BDBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@@H]2[C@@H]3O)CCCC1	100620868	WFYRTMMCIGPRMC-ZDEQEGDKSA-N	210.341	1.776	5	40	BDBB	
Cn1ccnc1-c1ccc([N+](=O)[O-])cc1	68593655	RDCCHZDFNPOUQA-UHFFFAOYSA-N	203.201	1.995	5	40	BDBB	in-vitro
CN(CC(=O)O)c1cccc([N+](=O)[O-])c1	35367376	JRKPUAYEPNTVLU-UHFFFAOYSA-N	210.189	1.116	5	40	BDBB	
O=[N+]([O-])c1ccc(NC2CCC(O)CC2)nc1	21800699	ICDYSSUMCHRNRJ-UHFFFAOYSA-N	237.259	1.705	5	40	BDBB	
O=[N+]([O-])c1cccc(O[C@H]2CCCNC2)c1	14631812	KEZVNFHKMNOBOA-NSHDSACASA-N	222.244	1.726	5	40	BDBB	in-vitro
O=C1OCc2c(Cl)cc([N+](=O)[O-])cc21	39321076	WZZCPOGDMVHYAU-UHFFFAOYSA-N	213.576	1.919	5	40	BDBB	
N[C@@H](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O	44283629	QPQIVFYGZYMIKD-ZETCQYMHSA-N	244.634	1.203	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1	100487451	MURDSWGYWHGJMH-DSPMHBFJSA-N	236.271	1.123	5	40	BDBB	
Nc1c([N+](=O)[O-])cc2c(c1Cl)OCO2	256051122	HVDCENQCCGYQJT-UHFFFAOYSA-N	216.580	1.559	5	40	BDBB	
CCNC(=O)OCc1ccc([N+](=O)[O-])cc1	16681725	NSBVDAMBDUXZAS-UHFFFAOYSA-N	224.216	1.841	5	40	BDBB	
Cc1c(C(=O)n2cccn2)cccc1[N+](=O)[O-]	5532853	WLQHPVAYDUALPP-UHFFFAOYSA-N	231.211	1.788	5	40	BDBB	
O=[N+]([O-])c1ccc([C@H](O)C[n+]2ccccc2)cc1	386972	QCVZBNIGROPKTI-CYBMUJFWSA-N	245.258	1.616	5	40	BDBB	
COc1cc2c(cc1OC)[C@H]([N+](=O)[O-])OC2=O	1621954	WYSNQKQSOKVPFJ-SECBINFHSA-N	239.183	1.150	5	40	BDBB	
O=C(O)c1nn(Cc2ccccc2)cc1[N+](=O)[O-]	96675764	WPICZQRELQNAHP-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(NCCc2ccccc2)n1	95098533	SDRVTRBOAAHYKS-UHFFFAOYSA-N	246.270	1.983	5	40	BDBB	
O=[N+]([O-])c1cccc2c(CCO)c[nH]c12	242620228	PZNKYARFWGPZKG-UHFFFAOYSA-N	206.201	1.611	5	40	BDBB	
CC(=O)Nc1c([N+](=O)[O-])ccc2nc[nH]c12	12364316	MVNJKJDDGOQJDL-UHFFFAOYSA-N	220.188	1.430	5	40	BDBB	
CC(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1	3885163	KCXJQNDNGLRYBN-UHFFFAOYSA-N	222.200	1.512	5	40	BDBB	in-vitro
CC(=O)N1CCOc2ccc([N+](=O)[O-])cc21	72408195	GYWWRZWGVRSDCE-UHFFFAOYSA-N	222.200	1.340	5	40	BDBB	
O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccccn2)no1	78773850	KXLAALQGXPRWOC-HTRCEHHLSA-N	232.199	1.264	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@H]2CCCNC2)nc1	40434896	FCSQFWOMDYYMPS-VIFPVBQESA-N	237.259	1.368	5	40	BDBB	
Nc1ccc2ccc3ccc(N)nc3c2n1	1610836	JSFTTXHPQDRUCN-UHFFFAOYSA-N	210.240	1.947	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)O	1737169	LZYDMBZSLOSYOZ-UHFFFAOYSA-N	237.620	1.495	5	40	BDBB	
CC1=N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)O1	59484388	FJQBOXOAICAMGL-XBXARRHUSA-N	248.194	1.617	5	40	BDBB	
O=C(Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1	5679737	YQUUJHRDDQKBAI-JTQLQIEISA-N	236.227	1.712	5	40	BDBB	
O=C(O)[C@@H]1COc2ccc([N+](=O)[O-])cc21	69910406	SSOXGAJFKZQCAD-SSDOTTSWSA-N	209.157	1.155	5	40	BDBB	in-vitro
O=c1[nH]c(O)nc(/C=C\c2ccco2)c1[N+](=O)[O-]	33039583	NRNPTNWIHBGAAS-ARJAWSKDSA-N	249.182	1.147	5	40	BDBB	
NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	79420880	ISLUPORRTWWKSN-UHFFFAOYSA-N	249.270	1.045	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@@H]2CCNC2)c(Cl)c1	42783035	DGENJXLKQLLMCR-MRVPVSSYSA-N	242.662	1.989	5	40	BDBB	
O=[N+]([O-])[C@@H]1Cc2ccccc2C[C@H]1[N+](=O)[O-]	100717765	NNPGXYAKOPSUAI-NXEZZACHSA-N	222.200	1.076	5	40	BDBB	
C[C@@](Cl)(CO[C@@H]1CCCCO1)[N+](=O)[O-]	34586428	XXIXCGZPUSLGPY-SFYZADRCSA-N	223.656	1.761	5	40	BDBB	in-vitro
C[N+]1(C[C@H]2Cc3ccccc3O2)CCOCC1	306515	NHSXTGIOWQDYHM-CYBMUJFWSA-N	234.319	1.467	5	40	BDBB	
COc1cc2c(cc1OC)[C@@H]([N+](=O)[O-])OC2=O	4536780	WYSNQKQSOKVPFJ-VIFPVBQESA-N	239.183	1.150	5	40	BDBB	
Cn1cc(Br)nc1[N+](=O)[O-]	37594127	JSBYDLKQWOUNMQ-UHFFFAOYSA-N	205.999	1.091	5	40	BDBB	
Nc1nc(=O)c2cnc3cc(F)ccc3c2s1	64874571	BJTZMGNLDDOGIJ-UHFFFAOYSA-N	247.254	1.926	5	40	BDBB	
CCOC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]	37594100	ANIGGJRHTJBCOD-UHFFFAOYSA-N	239.183	1.470	5	40	BDBB	
CC(C)CC(C)(C[N+](=O)[O-])C[N+](=O)[O-]	1751891	FGUVIFDLUZHXTP-UHFFFAOYSA-N	204.226	1.592	5	40	BDBB	
N[C@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)CC1	100809878	GOHIARIQILJWSN-TXEJJXNPSA-N	249.314	1.954	5	40	BDBB	
C[C@H](CC(=O)O)n1nc([N+](=O)[O-])cc1C1CC1	408715747	DCRDHQOMLWRLRS-ZCFIWIBFSA-N	239.231	1.704	5	40	BDBB	
O=Cc1ccc([N+](=O)[O-])c(OC2CC2)c1	95724594	UIMNOBMZKCZKAX-UHFFFAOYSA-N	207.185	1.949	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])ccc1SCCO	70162455	WULVYJRDPDBLIC-UHFFFAOYSA-N	227.241	1.492	5	40	BDBB	
COc1cc([N+](=O)[O-])c(N)cc1Cl	34216923	ZQLCLMUXVDGVAP-UHFFFAOYSA-N	202.597	1.839	5	40	BDBB	in-vitro
CCCCN(C)c1ncnc(NC)c1[N+](=O)[O-]	13004647	ULEGWIQJJCCGLZ-UHFFFAOYSA-N	239.279	1.663	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(C[C@H](C)C(=O)O)n1	40447925	KDNGKYRXJNLXCR-LURJTMIESA-N	240.215	1.262	5	40	BDBB	
CCO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	206117518	DJWIRYGIZKEUOG-SNVBAGLBSA-N	239.227	1.627	5	40	BDBB	
O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1F	2504913	CQHVBNQUAFPJOW-DAFODLJHSA-N	211.148	1.832	5	40	BDBB	
CCOC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	1598726	FSOMTKWIEYZQMG-NXEZZACHSA-N	237.211	1.598	5	40	BDBB	
CC(=O)Oc1c(C(=O)O)cc(C)cc1[N+](=O)[O-]	57339585	UOSTYUREBUJKLZ-UHFFFAOYSA-N	239.183	1.527	5	40	BDBB	
O=C(CNc1cccc([N+](=O)[O-])c1)NC1CC1	9157255	MMYAYJVANAJFFJ-UHFFFAOYSA-N	235.243	1.285	5	40	BDBB	
CCC1(O)CN(c2ncc(C)cc2[N+](=O)[O-])C1	90692785	KFNXXGRTXYOOJL-UHFFFAOYSA-N	237.259	1.259	5	40	BDBB	
O=C(O)[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1	20594120	LFUIGRHLASJTDI-SECBINFHSA-N	236.183	1.172	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])cc2c1OCOC2	241880	SUVYFXAZTWIGGZ-UHFFFAOYSA-N	209.157	1.274	5	40	BDBB	biogenic
CCOC(=O)/C=C/c1ccncc1[N+](=O)[O-]	199818672	DHQLBGHSGGXGTN-ONEGZZNKSA-N	222.200	1.566	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2nsnc2c1	1736331	BYLOIWCTRDPRTP-UHFFFAOYSA-N	226.173	1.508	5	40	BDBB	in-vivo
O=C(Nc1ccncc1O)c1ccc([N+](=O)[O-])o1	97237568	YAHSGDNMTMUGLI-UHFFFAOYSA-N	249.182	1.541	5	40	BDBB	
C/C=C(\C)C(=O)OC[C@H]1CC[N+](C)([O-])C1	5327829	VCASXRNIMTULLQ-FJTXIXNHSA-N	213.277	1.460	5	40	BDBB	
O=C(O)CNc1nc(Cl)ccc1[N+](=O)[O-]	4105165	LKDSFMWYBXKOJJ-UHFFFAOYSA-N	231.595	1.140	5	40	BDBB	
Cc1cc(N)n(-c2ccccc2[N+](=O)[O-])n1	4428145	YYJALRXRVURVEW-UHFFFAOYSA-N	218.216	1.671	5	40	BDBB	
CNC(=N)SCc1cc([N+](=O)[O-])ccc1O	255190160	VITFXTIGBXIVER-UHFFFAOYSA-N	241.272	1.688	5	40	BDBB	
CC1([N+](=O)[O-])COC2(CCCC2)OC1	1566607	IUTLIUPPLQVAMX-UHFFFAOYSA-N	201.222	1.339	5	40	BDBB	
CCCS(=O)(=O)Cc1ccc([N+](=O)[O-])o1	6204754	DKIOHTBIIAWLPH-UHFFFAOYSA-N	233.245	1.513	5	40	BDBB	
O=c1c([N+](=O)[O-])cccn1Cc1ccccc1F	72280376	NSDFHNLRTBELQM-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
CS(=O)(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1	96510127	RAVIDQORRBULBR-ZJUUUORDSA-N	241.268	1.495	5	40	BDBB	
O=[N+]([O-])c1ccn(COc2cccc(F)c2)n1	4291280	DQDUNJPKZHQCPE-UHFFFAOYSA-N	237.190	1.967	5	40	BDBB	
CCCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1	4156621	ZUSJRWQHCBHNPV-UHFFFAOYSA-N	238.243	1.743	5	40	BDBB	
O=[N+]([O-])c1ccc([C@@H](O)C[n+]2ccccc2)cc1	386971	QCVZBNIGROPKTI-ZDUSSCGKSA-N	245.258	1.616	5	40	BDBB	
C[C@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1	54370653	SOTULKXOAFFXOC-VIFPVBQESA-N	249.270	1.029	5	40	BDBB	
O=C(O)/C=C/c1ccc(F)cc1[N+](=O)[O-]	39947623	RVXINQZTGUTIDC-DUXPYHPUSA-N	211.148	1.832	5	40	BDBB	in-vitro
Cn1cc(C(=O)O)c2cc([N+](=O)[O-])cnc21	95937235	LLYKTDYLLWENFQ-UHFFFAOYSA-N	221.172	1.180	5	40	BDBB	
COc1c(-c2nnc[nH]2)cccc1[N+](=O)[O-]	150056695	CMGVPTUXPJERNL-UHFFFAOYSA-N	220.188	1.389	5	40	BDBB	
O=c1c([N+](=O)[O-])c(O)c2cccc3c2n1CC3	200108373	ASOWMGWWHXKIIB-UHFFFAOYSA-N	232.195	1.171	5	40	BDBB	
C[C@@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1	54370650	SOTULKXOAFFXOC-SECBINFHSA-N	249.270	1.029	5	40	BDBB	
O=[N+]([O-])c1ccc(Cn2ccnn2)cc1	36459642	IRARVWPSVFZRLD-UHFFFAOYSA-N	204.189	1.235	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]	14982377	GQWMLRJMEVDSOK-UHFFFAOYSA-N	246.562	1.855	5	40	BDBB	
CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	32601693	JOPVXKUOHGFACN-UHFFFAOYSA-N	244.272	1.201	5	40	BDBB	
COc1ccc(-n2cccc2CO)c([N+](=O)[O-])c1	223738361	WZTDOUUZZKRPPR-UHFFFAOYSA-N	248.238	1.886	5	40	BDBB	
COC[C@H](C)Nc1ncccc1[N+](=O)[O-]	19980479	CTQNNQARGWFOQS-ZETCQYMHSA-N	211.221	1.437	5	40	BDBB	
CCOCc1ccc([N+](=O)[O-])cc1C(=O)O	72209184	PSOUKYVTTORLKZ-UHFFFAOYSA-N	225.200	1.830	5	40	BDBB	
O=[N+]([O-])c1ccc(CNC[C@H]2CCCO2)cc1	15416801	JTIVCHBKMBKRNX-GFCCVEGCSA-N	236.271	1.863	5	40	BDBB	
CC(C)(C)n1cc([N+](=O)[O-])c(C(=O)O)n1	168005148	MDGDSDZBDHHCRI-UHFFFAOYSA-N	213.193	1.245	5	40	BDBB	
O=C(O)/C=C/c1cc([N+](=O)[O-])ccc1O	2579268	PJUYGYRWUMRDEI-DAFODLJHSA-N	209.157	1.398	5	40	BDBB	in-vitro
C[n+]1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1	96191846	KQOLTBCRVBUMBQ-UHFFFAOYSA-N	243.242	1.650	5	40	BDBB	
CCNC(=O)c1cccc(C)c1[N+](=O)[O-]	6311954	LKZXHYSWZYSGPC-UHFFFAOYSA-N	208.217	1.653	5	40	BDBB	
C[C@](O)(CNc1ccc([N+](=O)[O-])nc1)C1CC1	95398339	VTUKRZYBUPUSGY-NSHDSACASA-N	237.259	1.563	5	40	BDBB	
COc1cc2c(c([N+](=O)[O-])c1O)CCC2=O	34727715	GHOFNBJXNOVZBP-UHFFFAOYSA-N	223.184	1.438	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2cnc(CO)c2)cc1	34592246	MJNJDBNKTNCWFN-UHFFFAOYSA-N	219.200	1.273	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nc3ncccn3n2)cc1	1566952	BGPYJIWRJPHATC-UHFFFAOYSA-N	241.210	1.700	5	40	BDBB	
O=C(O)c1cccc(-n2cnc([N+](=O)[O-])c2)c1	196241035	SIZVUMXKIKQBRP-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	
CCCNc1ccc([N+](=O)[O-])cc1C(N)=O	50744511	ZCTZYXHTDRDNLE-UHFFFAOYSA-N	223.232	1.516	5	40	BDBB	
C[C@H]1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	35149639	JVZVPERQYBCVHO-ZCFIWIBFSA-N	235.199	1.040	5	40	BDBB	
CN1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C1	26895926	MDXHLQQRWAKCBH-PHIMTYICSA-N	247.298	1.593	5	40	BDBB	in-vitro
COC(=O)c1cnn(-c2ccccc2[N+](=O)[O-])c1	12398207	CLNDAOUKSGBABV-UHFFFAOYSA-N	247.210	1.567	5	40	BDBB	
C=CS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	35322367	YPWMZSUDKWGQSX-UHFFFAOYSA-N	231.204	1.651	5	40	BDBB	
O=C(O)Cc1c(F)ccc([N+](=O)[O-])c1F	36420915	GHFAYUZPPYDFBK-UHFFFAOYSA-N	217.127	1.500	5	40	BDBB	
CC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc2c1=O	225815874	IFNLHTTUMDKTQZ-UHFFFAOYSA-N	232.195	1.639	5	40	BDBB	
Cc1cc([N+](=O)[O-])nn1Cc1ccon1	193872729	IIFHONDLDXRTCU-UHFFFAOYSA-N	208.177	1.136	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(Cl)c1	61707401	PTILCUQFZMQOIW-MRVPVSSYSA-N	242.662	1.819	5	40	BDBB	
C[N+]1(Cc2ccccc2)CCC[C@@H](O)C1	1585518	WOIPXYNVHSQOQT-KWCCSABGSA-N	206.309	1.788	5	40	BDBB	
C[C@@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	61843975	IBPKQVFIODUKFZ-ZCFIWIBFSA-N	233.231	1.400	5	40	BDBB	
O=C(O)c1ccc2c([N+](=O)[O-])c(F)ccc2n1	85399873	CHBYCIFJTOEBIJ-UHFFFAOYSA-N	236.158	1.980	5	40	BDBB	
Cc1nc2c([N+](=O)[O-])cc(C(=O)O)cc2[nH]1	5479011	UVPBCQHSNIWHFU-UHFFFAOYSA-N	221.172	1.478	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1)ncn2CCCCO	2027418	GONJYLAHBFMUEF-UHFFFAOYSA-N	235.243	1.717	5	40	BDBB	
O=C(O)c1cnn(-c2ccccc2[N+](=O)[O-])c1	12395466	MQAJHIZBDRTTFA-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	
CONC(=O)c1ccc(SC)c([N+](=O)[O-])c1	10635980	VHOZLJTWDYXRAG-UHFFFAOYSA-N	242.256	1.608	5	40	BDBB	
Cn1ncc2nc3cccc([N+](=O)[O-])c3c(O)c21	8770322	CUZVODZXZIWJHF-UHFFFAOYSA-N	244.210	1.735	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1nc(S)n[nH]1	6863826	GEUANHNCWBKHCO-UHFFFAOYSA-N	222.229	1.669	5	40	BDBB	
Cn1nc(Br)cc1[N+](=O)[O-]	953126717	UDEJLEVICZJXFE-UHFFFAOYSA-N	205.999	1.091	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCNCC1	22165769	NUUMHTSFHGEGAZ-UHFFFAOYSA-N	249.270	1.030	5	40	BDBB	
Cc1nn(CCC(C)(C)O)c(C)c1[N+](=O)[O-]	81275275	VFQZKELCKBAFBJ-UHFFFAOYSA-N	227.264	1.569	5	40	BDBB	
CN1CCN=C1C(=O)c1ccc([N+](=O)[O-])cc1	6126082	NJRZDIWWRAZCSQ-UHFFFAOYSA-N	233.227	1.121	5	40	BDBB	
CCNC(=O)COc1ccc([N+](=O)[O-])cc1	3515175	RDXDZQDKGIZBCH-UHFFFAOYSA-N	224.216	1.110	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2CO)c1	84726757	STBFYKOLSIEYJH-SNVBAGLBSA-N	236.271	1.864	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC[C@H](CCO)C2)cc1	78366037	HPGXTVMKPMMTIG-SNVBAGLBSA-N	236.271	1.804	5	40	BDBB	
O=C(O)c1conc1-c1ccccc1[N+](=O)[O-]	226099765	SAUDXMZZPPKBIP-UHFFFAOYSA-N	234.167	1.948	5	40	BDBB	
C[C@@H]1C[C@H](C[N+](=O)[O-])CC2(C1)OCCO2	5809805	LWQRTEGTTCEEFE-BDAKNGLRSA-N	215.249	1.442	5	40	BDBB	
Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1	31170	FHFOBUGLOBTGPK-UHFFFAOYSA-N	246.226	1.879	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nc[nH]c2[N+](=O)[O-])cc1	2771248	ZYUWAONCWJQSBW-UHFFFAOYSA-N	234.171	1.893	5	40	BDBB	
O=c1cc(O)c2ccc([N+](=O)[O-])cc2[nH]1	199774506	QLPHVDAVIDAZOG-UHFFFAOYSA-N	206.157	1.142	5	40	BDBB	
CC(=O)NCCNc1ccc([N+](=O)[O-])cc1	8174899	NPCLUGDNOONNAP-UHFFFAOYSA-N	223.232	1.143	5	40	BDBB	
C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1	167772086	DSBWMVFUMGZNGI-QMMMGPOBSA-N	236.275	1.808	5	40	BDBB	
COC(=O)C#Cc1ccc([N+](=O)[O-])cc1	9192	XNRRUKAHRUCWGC-UHFFFAOYSA-N	205.169	1.119	5	40	BDBB	
C[C@@H](O)CCN(C)c1cccc(F)c1[N+](=O)[O-]	96429745	ISMBZJIVHVIZOQ-MRVPVSSYSA-N	242.250	1.941	5	40	BDBB	
CCOC(=O)c1c([N+](=O)[O-])c(CC)nn1C	14985135	WKGWNPOCQIDNSR-UHFFFAOYSA-N	227.220	1.067	5	40	BDBB	
O=[N+]([O-])c1ccc2ncc3c(O)n[nH]c3c2c1	26463195	SDGVKELLWZAWNS-UHFFFAOYSA-N	230.183	1.725	5	40	BDBB	
CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	5668109	MXUSTFHXFASGAH-VOTSOKGWSA-N	220.228	1.696	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1NC1CCNCC1	37421046	HFPKGMMPAPVUIZ-UHFFFAOYSA-N	239.250	1.898	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c(OC)cc1F	138205906	DVRXJAVRVBKYJS-UHFFFAOYSA-N	229.163	1.529	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CCCCO2)nc1	67802469	RNEHHMCDKCMMJP-JTQLQIEISA-N	238.243	1.938	5	40	BDBB	
CCCCn1cc([N+](=O)[O-])c(C(=O)OCC)n1	408716073	INTUUTGGAIMGSB-UHFFFAOYSA-N	241.247	1.768	5	40	BDBB	
CCc1cc([N+](=O)[O-])c2oc(N)nc2c1	73642832	KPZAJZIOVDGBBA-UHFFFAOYSA-N	207.189	1.881	5	40	BDBB	
COCCCCn1cccc([N+](=O)[O-])c1=O	88499958	KWSOHLYBXVMHGK-UHFFFAOYSA-N	226.232	1.183	5	40	BDBB	
O=C(O)c1cc2cc([N+](=O)[O-])ccc2[nH]c1=O	2513003	MBKQRJOWRRDAJL-UHFFFAOYSA-N	234.167	1.135	5	40	BDBB	
O=C(O)c1cc2c(cc1[N+](=O)[O-])OCO2	1689649	XQJWBDDLVCMLAB-UHFFFAOYSA-N	211.129	1.022	5	40	BDBB	in-vitro
NC(=O)c1ccc([N+](=O)[O-])cc1Br	45954309	FXLLWRXPDJKYAC-UHFFFAOYSA-N	245.032	1.456	5	40	BDBB	
Cn1ccc(Nc2ccc([N+](=O)[O-])cn2)n1	82413878	JHGHELSRQFTWEP-UHFFFAOYSA-N	219.204	1.467	5	40	BDBB	
N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1	113897082	SAMULBXZLWLWPM-SNVBAGLBSA-N	206.245	1.801	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(C)c1OCC(N)=O	31458516	DFQCKFQJHUSDQJ-UHFFFAOYSA-N	224.216	1.076	5	40	BDBB	
COC(=O)c1cc(C)cc([N+](=O)[O-])c1N	78210638	BMVWWCPPMDIQTE-UHFFFAOYSA-N	210.189	1.272	5	40	BDBB	in-vitro
O=C(O)CSc1ccc([N+](=O)[O-])cn1	1680140	YEXBKYAPUIXVRG-UHFFFAOYSA-N	214.202	1.167	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2cncn2)c(F)c1	4784658	JTOQNQIBUCTGFM-UHFFFAOYSA-N	208.152	1.315	5	40	BDBB	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1O	13335552	RAPBNVDGGBJECM-UHFFFAOYSA-N	213.145	1.007	5	40	BDBB	
CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1	49247261	IRPVOEROGOZHOV-UHFFFAOYSA-N	237.259	1.804	5	40	BDBB	
CNc1cc(OC)c(OC)cc1[N+](=O)[O-]	105712570	BTAPLRBEMIBMRI-UHFFFAOYSA-N	212.205	1.654	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1OC(F)F	4966284	QULOTZXMYXDVCK-UHFFFAOYSA-N	233.126	1.894	5	40	BDBB	
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]	100940540	YYGJRRYSYLLCQH-UHFFFAOYSA-N	243.131	1.425	5	40	BDBB	
O=[N+]([O-])c1ccc(OC2CCOCC2)nc1	67802467	HQWWLSRDRDCTLE-UHFFFAOYSA-N	224.216	1.548	5	40	BDBB	
O=C(NCCCF)c1cc([N+](=O)[O-])ccc1O	97052696	WEYGMRQKNHTOBT-UHFFFAOYSA-N	242.206	1.390	5	40	BDBB	
C[N+]1(C[C@H](O)COc2ccccc2)CCCC1	36640171	AQKRTZZUHRNHMM-ZDUSSCGKSA-N	236.335	1.667	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](c2cccc(F)c2)N1	13992164	QFAZBZJWJDQADR-MWLCHTKSSA-N	238.218	1.422	5	40	BDBB	
C[N+]12CCC[C@@H]1[C@@H]1C[C@H](C2)c2cccc(=O)n2C1	484948	PDBKVEXJATVUPI-ODHPIICFSA-N	245.346	1.574	5	40	BDBB	
C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1	54374828	MSOLFNXBYZHSKJ-SECBINFHSA-N	221.260	1.393	5	40	BDBB	
O=[N+]([O-])c1ccccc1Nc1cnn(CCO)c1	49322253	PFAFDVJZOLJXLV-UHFFFAOYSA-N	248.242	1.527	5	40	BDBB	
O=C1CCCN1Nc1ccc([N+](=O)[O-])cc1	4015136	SXZXTPKDBRRPKC-UHFFFAOYSA-N	221.216	1.544	5	40	BDBB	
C[C@H](O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4358707	MIHIEAVBDFASSU-LURJTMIESA-N	241.203	1.296	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)c(F)c1	61707446	QENGWXHQBHRUCG-QMMMGPOBSA-N	226.207	1.305	5	40	BDBB	in-vitro
NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F	85224843	JAKKEYSLBOFCSB-UHFFFAOYSA-N	234.133	1.713	5	40	BDBB	
CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1	12759931	MSSYMLZZRRKXPZ-UHFFFAOYSA-N	223.232	1.386	5	40	BDBB	
CC(C)(C)OC(=O)NCC[N+](C)(C)C	22067356	BVAYYGNBWSORGP-UHFFFAOYSA-O	203.306	1.217	5	40	BDBB	in-vitro
O=C(NC1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1	48312885	NLOPYNJBWKLQTF-UHFFFAOYSA-N	245.238	1.968	5	40	BDBB	
COC(=O)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	95913290	VUYFMQGRNINLTR-UHFFFAOYSA-N	248.194	1.432	5	40	BDBB	
O=[N+]([O-])c1cc(CN2CCC[C@H]2CO)cs1	69535334	BQTCFAJEGXDWLC-VIFPVBQESA-N	242.300	1.613	5	40	BDBB	
Cc1nn(CC(C)(C)O)c(C)c1[N+](=O)[O-]	37694553	YGIPIARFNXHZEM-UHFFFAOYSA-N	213.237	1.179	5	40	BDBB	
O=C1SCCN1c1ccc([N+](=O)[O-])cn1	63120225	OOOLRBMERVKWRU-UHFFFAOYSA-N	225.229	1.663	5	40	BDBB	
C[N+]12CCC[C@@H]1[C@H]1C[C@H](C2)c2cccc(=O)n2C1	217477054	PDBKVEXJATVUPI-PBLDKRBDSA-N	245.346	1.574	5	40	BDBB	
O=C(c1cccc([N+](=O)[O-])c1)c1ncco1	85651136	GQXPLXSNMIJHBF-UHFFFAOYSA-N	218.168	1.814	5	40	BDBB	
CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)n1	95762438	OECGSTQDGXQUFO-UHFFFAOYSA-N	230.607	1.820	5	40	BDBB	
CN1CN(c2ccc([N+](=O)[O-])cc2)N=N1	5707193	JAYRQVHTHAVAFE-UHFFFAOYSA-N	207.193	1.586	5	40	BDBB	
Cn1cnc2cc([N+](=O)[O-])c(C(=O)O)cc21	12543531	GNPYRRIUJYQQOF-UHFFFAOYSA-N	221.172	1.180	5	40	BDBB	
CN1C[C@H](C(=O)O)Cc2cc([N+](=O)[O-])ccc21	9060926	JNZPILYOQKTPQL-MRVPVSSYSA-N	236.227	1.288	5	40	BDBB	
CC[C@@H](C)n1cc([N+](=O)[O-])c(C(=O)OC)n1	408715285	ANQJYNVEDNWAOV-ZCFIWIBFSA-N	227.220	1.549	5	40	BDBB	
CO[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1	5606907	VFLXIIVUAKWFJE-UHFFFAOYSA-N	233.116	1.720	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1NC1CCNCC1	67800719	LMECQLKJGMAUFU-UHFFFAOYSA-N	239.250	1.898	5	40	BDBB	
CC(=O)[C@H](C)Sc1c([N+](=O)[O-])c(C)nn1C	75107023	DYUHKLBHTFWRRL-ZETCQYMHSA-N	243.288	1.706	5	40	BDBB	
O=[N+]([O-])c1n[nH]c(Oc2ccccc2)n1	95116196	DCTAOVYVHVJQKX-UHFFFAOYSA-N	206.161	1.505	5	40	BDBB	
Nc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-]	17356291	PJMAVOXODXGQSK-UHFFFAOYSA-N	235.243	1.413	5	40	BDBB	
COc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-]	1686607	IASWEPJOUWXONE-UHFFFAOYSA-N	214.133	1.217	5	40	BDBB	
CN(C)c1c(Cl)cc(C(N)=O)cc1[N+](=O)[O-]	70462210	IQDANXIUXDNCQQ-UHFFFAOYSA-N	243.650	1.413	5	40	BDBB	
CC(=O)Nc1cc(O)c(C=O)cc1[N+](=O)[O-]	96007016	PZMPRWUOROEVMR-UHFFFAOYSA-N	224.172	1.071	5	40	BDBB	
CCONC(=O)c1ccc(C)c([N+](=O)[O-])c1	24977664	RESBVYVUKMEUCZ-UHFFFAOYSA-N	224.216	1.585	5	40	BDBB	
O=C(OCn1cncn1)c1cccc([N+](=O)[O-])c1	347618	KMAVQHIPSPMXRH-UHFFFAOYSA-N	248.198	1.001	5	40	BDBB	
CCOC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	35333604	FHJSVGYPVQYJIV-UHFFFAOYSA-N	239.183	1.500	5	40	BDBB	in-vitro
CCOC(=O)c1ccc([N+](=O)[O-])c(N)c1	38490550	ANNPFRZKDGTZHX-UHFFFAOYSA-N	210.189	1.354	5	40	BDBB	
Cc1ccc(/C=C2/NC(=O)NC2=O)cc1[N+](=O)[O-]	409059660	WIUIJPVJJRAPSS-XBXARRHUSA-N	247.210	1.084	5	40	BDBB	
CC(=O)N1CCc2c1cccc2[N+](=O)[O-]	78149694	HLWMKSWOOCBYDD-UHFFFAOYSA-N	206.201	1.504	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2c(F)cccc2F)n1	89263610	GGUSHQQXKRBIEN-UHFFFAOYSA-N	226.142	1.454	5	40	BDBB	
CC(C)([C@H](O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	3080636	GOTKUKFYSUDYKZ-SECBINFHSA-N	240.215	1.684	5	40	BDBB	
CN(C)CCNc1ccc([N+](=O)[O-])cc1F	20474733	LXJMYIRYWGPGOC-UHFFFAOYSA-N	227.239	1.707	5	40	BDBB	
CCCc1[nH]nc(C(=O)N2CCC2)c1[N+](=O)[O-]	78650774	HWJMPUOUSUKZRK-UHFFFAOYSA-N	238.247	1.116	5	40	BDBB	
Cc1cnn(C(=O)CCn2cc([N+](=O)[O-])cn2)c1	2778742	LFTXHOKGJHNDNE-UHFFFAOYSA-N	249.230	1.027	5	40	BDBB	
COCCNc1ccc(OC)cc1[N+](=O)[O-]	20016761	UFGYMKDNHLAWTN-UHFFFAOYSA-N	226.232	1.662	5	40	BDBB	
O=[N+]([O-])c1cc(CO)ccc1Br	35054648	GAANESYOLGFJFC-UHFFFAOYSA-N	232.033	1.850	5	40	BDBB	
CNC(=O)Oc1ccc([N+](C)(C)C)cc1	1716476	CCRBFHVLXMPBBR-UHFFFAOYSA-O	209.269	1.602	5	40	BDBB	
CCn1cnnc1-c1cccc([N+](=O)[O-])c1	55175527	FVOVHANINLPGPQ-UHFFFAOYSA-N	218.216	1.873	5	40	BDBB	
COC(=O)c1cc(C)cc([N+](=O)[O-])c1O	39248562	ZQGOQALTCFDIHN-UHFFFAOYSA-N	211.173	1.395	5	40	BDBB	
COC(=O)/C=C/COc1ccccc1[N+](=O)[O-]	6179386	TXPBVOLPRBZKTB-QPJJXVBHSA-N	237.211	1.703	5	40	BDBB	
O=[N+]([O-])c1cnc(-n2ccnc2)nc1NC1CC1	32777860	WOLLXRVTQSSXOZ-UHFFFAOYSA-N	246.230	1.145	5	40	BDBB	
COC(=O)c1cc2ncc([N+](=O)[O-])cc2[nH]1	37593692	TYYAFXWRCBCFMK-UHFFFAOYSA-N	221.172	1.258	5	40	BDBB	
CC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	5638106	HXSPTRBMKFDKOS-ZETCQYMHSA-N	237.259	1.904	5	40	BDBB	
Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	5297354	HQZNVJXYOZAFJI-UHFFFAOYSA-N	222.160	1.688	5	40	BDBB	
CCNC(=O)Cc1ccccc1[N+](=O)[O-]	5591704	YYWFADAFBVXZNR-UHFFFAOYSA-N	208.217	1.273	5	40	BDBB	
O=[N+]([O-])c1cc(Br)cc(CO)c1O	40546050	LGDBUNPNDYVIDA-UHFFFAOYSA-N	248.032	1.555	5	40	BDBB	
Cc1nc(N)c(Br)cc1[N+](=O)[O-]	21981815	QEACSSLDLWHNGC-UHFFFAOYSA-N	232.037	1.643	5	40	BDBB	
COc1ccc(NCC(=O)O)c([N+](=O)[O-])c1	5159484	NHOXKJDHAFQDMF-UHFFFAOYSA-N	226.188	1.100	5	40	BDBB	
COc1c(-n2cc(F)cn2)cccc1[N+](=O)[O-]	1857794435	DPJRQTQWBBQJOD-UHFFFAOYSA-N	237.190	1.928	5	40	BDBB	
CC[C@H]([C@H](OC(C)=O)C(C)C)[N+](=O)[O-]	1571186	GNTZENDEEVYVID-RKDXNWHRSA-N	203.238	1.629	5	40	BDBB	
O=[N+]([O-])C[C@](O)(c1ccccc1)C(F)(F)F	96034457	CEYAQLFOMNYIRE-QMMMGPOBSA-N	235.161	1.713	5	40	BDBB	
CC(C)N(C(=O)c1cc([N+](=O)[O-])[nH]n1)C(C)C	9244244	OVSPBXLITHKPSG-UHFFFAOYSA-N	240.263	1.577	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cnc1Br	35567201	TZALTHQYRONLQA-UHFFFAOYSA-N	247.004	1.451	5	40	BDBB	
Nc1ccc([C@@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	199777546	POJDACRITPTMOB-SSDOTTSWSA-N	235.243	1.171	5	40	BDBB	
O=C(O)Cc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	14951278	PUDWBRMRYFQHKH-UHFFFAOYSA-N	248.198	1.007	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1OCC(=O)O	79421488	JWHCUUPSEKCMMP-UHFFFAOYSA-N	211.173	1.367	5	40	BDBB	
COc1ccc(-n2cccc2CO)cc1[N+](=O)[O-]	223741968	QKMMVGUBJVOHPP-UHFFFAOYSA-N	248.238	1.886	5	40	BDBB	
N=C(Nc1ncccc1[N+](=O)[O-])N1CCCCC1	225242932	PTUYQHCVEUXFHD-UHFFFAOYSA-N	249.274	1.822	5	40	BDBB	
CC(C)([C@H](O)c1ccc(F)cc1)[N+](=O)[O-]	526049375	BQDCKEYSOFYOKS-SECBINFHSA-N	213.208	1.914	5	40	BDBB	
CN(C)C(=O)Nc1ccccc1[N+](=O)[O-]	5508882	FRBHCWIPAUJHEP-UHFFFAOYSA-N	209.205	1.688	5	40	BDBB	in-vitro
CCN1C(=O)[C@H](C)Oc2cc([N+](=O)[O-])ccc21	11691858	ITIBRWMLVGOVRF-ZETCQYMHSA-N	236.227	1.729	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C	34382451	FHIKLTIIGANXNC-UHFFFAOYSA-N	208.217	1.605	5	40	BDBB	in-vitro
O=[N+]([O-])c1ncn(CCCN2CCCCC2)n1	187681047	OWCPGPOPFGEAOA-UHFFFAOYSA-N	239.279	1.062	5	40	BDBB	
COc1c(O)ccc(C(C)=O)c1[N+](=O)[O-]	75629423	ZOMXLWJRXFETOW-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	
CNC(=O)Nc1cccc([N+](=O)[O-])c1OC	1738909	XIBNUUVAFKUQDU-UHFFFAOYSA-N	225.204	1.355	5	40	BDBB	
CN1CCc2ccccc2[C@@H]1C[N+](C)(C)C	3845813	NLLQUKFFDFUNPW-AWEZNQCLSA-N	219.352	1.922	5	40	BDBB	
Cc1nnc(COc2ccccc2[N+](=O)[O-])o1	7169014	COYIPZOXZOIJTB-UHFFFAOYSA-N	235.199	1.865	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@@H]2CCCNC2)cc1	42782891	WKAQCLQUGQACEV-LLVKDONJSA-N	222.244	1.726	5	40	BDBB	
O=[N+]([O-])C[C@H](O)c1ccc2ccccc2n1	13281501	WFVVYWMLBAOTQJ-NSHDSACASA-N	218.212	1.545	5	40	BDBB	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1C	72209460	ICXFUWUMWQEJFG-UHFFFAOYSA-N	209.127	1.656	5	40	BDBB	
O=CNc1cc([N+](=O)[O-])ccc1Cl	4545675	CRCYQFWNUVRVCO-UHFFFAOYSA-N	200.581	1.817	5	40	BDBB	in-vitro
Cc1cc(Cn2cc([N+](=O)[O-])c(C)cc2=O)on1	96474510	PKZFFIGGAXPPKW-UHFFFAOYSA-N	249.226	1.410	5	40	BDBB	
O=C(O)CCNc1ccc([N+](=O)[O-])cc1	19509508	CKMRSZAIJYEUKL-UHFFFAOYSA-N	210.189	1.481	5	40	BDBB	
O=[N+]([O-])c1cn(Cc2ccccc2)cn1	370754	OCHQIXWIGCISFH-UHFFFAOYSA-N	203.201	1.840	5	40	BDBB	
COCCNC(=S)c1cccc([N+](=O)[O-])c1	408572141	GXVNPKJXAOQRAV-UHFFFAOYSA-N	240.284	1.506	5	40	BDBB	
O=C(O)c1ccc(OCC(F)F)c([N+](=O)[O-])c1	37756037	FCGJOVZTWKATIG-UHFFFAOYSA-N	247.153	1.937	5	40	BDBB	
Cc1ccc(-c2cc(N)[nH]n2)cc1[N+](=O)[O-]	19511994	MQGMHSCHNQZGBR-UHFFFAOYSA-N	218.216	1.876	5	40	BDBB	
CCONC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	22874493	AOCNTJLKQDPXNU-UHFFFAOYSA-N	244.634	1.930	5	40	BDBB	
O=C(O)c1ccc2nc3ccccc3c(=O)n2c1	3643560	SORCQIVSPYWDSM-UHFFFAOYSA-N	240.218	1.546	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCc3n[nH]cc3C2)cc1	4023624	WMKUGXAOKZUBHY-UHFFFAOYSA-N	244.254	1.881	5	40	BDBB	
Nc1cc(NCCC(=O)O)ccc1[N+](=O)[O-]	5335265	OTEUDDWEYRHJTG-UHFFFAOYSA-N	225.204	1.064	5	40	BDBB	
CCOC(=O)[C@@H](C)Oc1ncccc1[N+](=O)[O-]	5585708	VVTAWIZGQXRQTK-SSDOTTSWSA-N	240.215	1.320	5	40	BDBB	
CN(C)C(=O)Oc1cc(O)cc([N+](=O)[O-])c1	1751543	BILOSMALXANGCQ-UHFFFAOYSA-N	226.188	1.361	5	40	BDBB	
CCOc1cccc(N[C@@H](C)CO)c1[N+](=O)[O-]	95941132	FUJLEDSDRORPSJ-QMMMGPOBSA-N	240.259	1.786	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]	80859451	FPKOPBFLPLFWAD-UHFFFAOYSA-N	227.132	1.720	5	40	BDBB	
O=C(O)c1ccc([N+](=O)[O-])c(Br)n1	88613823	RWDVNWYGZAUUDG-UHFFFAOYSA-N	247.004	1.451	5	40	BDBB	in-vitro
Cn1cc([N+](=O)[O-])cc1C(=O)C(F)(F)F	15782473	KIVSABSYDOVTFA-UHFFFAOYSA-N	222.122	1.678	5	40	BDBB	
COc1ccc(-c2nnc(N)o2)cc1[N+](=O)[O-]	19267004	HZQPQTWQVRAUAR-UHFFFAOYSA-N	236.187	1.236	5	40	BDBB	
O=[N+]([O-])c1ccc(SN2CCOCC2)cc1	500382	HHLDAZDJEMBLCY-UHFFFAOYSA-N	240.284	1.934	5	40	BDBB	
COC(=O)c1cc2[nH]ccc2cc1[N+](=O)[O-]	96035828	LGUKSZPNFDTWKW-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	in-vitro
CS(=O)(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1	96510129	RAVIDQORRBULBR-UWVGGRQHSA-N	241.268	1.495	5	40	BDBB	
CS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1	6019429	RAIYWYZAQUHJCH-VOTSOKGWSA-N	227.241	1.610	5	40	BDBB	
N[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1	50244026	UOUOGVMYZQSAEN-QMMMGPOBSA-N	207.233	1.132	5	40	BDBB	
Cc1cccc2c1[nH]c1nc3nncn3nc12	18190483	XUEKNMSSAGDXJS-UHFFFAOYSA-N	224.227	1.462	5	40	BDBB	
CC[C@@H]([C@@H](OC(C)=O)C(C)C)[N+](=O)[O-]	1571187	GNTZENDEEVYVID-IUCAKERBSA-N	203.238	1.629	5	40	BDBB	
Cc1ccc(-c2nnco2)cc1[N+](=O)[O-]	12997607	AQGJNTCYASXHEN-UHFFFAOYSA-N	205.173	1.953	5	40	BDBB	in-vitro
O=c1c([N+](=O)[O-])cccn1C[C@H]1CCCCO1	78979236	DDCYSPAHDWBDBO-SECBINFHSA-N	238.243	1.326	5	40	BDBB	
O=C(O)[C@H]1N=Nc2cccc([N+](=O)[O-])c21	89195826	LLOPTUDQPHNEQR-ZETCQYMHSA-N	207.145	1.818	5	40	BDBB	
C[C@@](O)(CNc1ccc([N+](=O)[O-])nc1)C1CC1	95398338	VTUKRZYBUPUSGY-LLVKDONJSA-N	237.259	1.563	5	40	BDBB	
Cc1nn(-c2ccccc2)c(NN)c1[N+](=O)[O-]	34633367	MIIKQEHMGFHNGR-UHFFFAOYSA-N	233.231	1.375	5	40	BDBB	
CCOc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	1569928	AMKINOKUGGTRQT-UHFFFAOYSA-N	213.149	1.297	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1O[C@H]1CCNC1	51868536	VISVENUMUZKRDL-ZETCQYMHSA-N	226.207	1.475	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2nnc3n2NCS3)c1	3843234	VBJLMTJILHCMRK-UHFFFAOYSA-N	249.255	1.460	5	40	BDBB	biogenic
Cc1ccc2c(ccc[n+]2C)c1[N+](=O)[O-]	72193709	IMPKUWYTYDCYPE-UHFFFAOYSA-N	203.221	1.881	5	40	BDBB	
COC(=O)COc1c(C)cc([N+](=O)[O-])cc1C	224251254	JEYRECIDKOCVKP-UHFFFAOYSA-N	239.227	1.763	5	40	BDBB	
CC(C)N(C)C(=O)c1c(N)cccc1[N+](=O)[O-]	193330879	BCJBUXBNOMPBDA-UHFFFAOYSA-N	237.259	1.657	5	40	BDBB	
O=Cc1ccc([N+](=O)[O-])cc1N1CCOCC1	95081115	YKUFQRCCOVZXHY-UHFFFAOYSA-N	236.227	1.244	5	40	BDBB	
Nc1ccnc(Sc2ncccc2[N+](=O)[O-])n1	13282565	PRCWVBDBAVJMLE-UHFFFAOYSA-N	249.255	1.513	5	40	BDBB	
CCONC(=O)c1ccc(NC)c([N+](=O)[O-])c1	24974835	MLTHQPWXLBGDMK-UHFFFAOYSA-N	239.231	1.318	5	40	BDBB	
COc1cc(OCC(=O)O)ccc1[N+](=O)[O-]	39947473	YOVQHOGVUQNYHO-UHFFFAOYSA-N	227.172	1.067	5	40	BDBB	in-vitro
CC(=O)O[C@@H]1C[C@@H]2CCCC[C@@H]2[N+](C)(C)C1	5395486	HIOCBGYLJFSZOO-XQQFMLRXSA-N	226.340	1.957	5	40	BDBB	
CN(C)C(C)(C)CNc1ccc([N+](=O)[O-])cn1	25371295	GKKMWVQGMRRSOC-UHFFFAOYSA-N	238.291	1.742	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1O[C@@H]1CCNC1	51867983	KYSPINNKNBIHMC-MRVPVSSYSA-N	226.207	1.475	5	40	BDBB	
O=[N+]([O-])c1ccccc1CN1CC[C@@H](O)C1	61709126	WFKLVBKPSQDSIM-SNVBAGLBSA-N	222.244	1.161	5	40	BDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1	5674689	IQNYWKJEBZYOFE-SNVBAGLBSA-N	236.227	1.712	5	40	BDBB	
O=C1OCc2ccc(Cl)c([N+](=O)[O-])c21	4294169	DDFGQBSKMPCIFX-UHFFFAOYSA-N	213.576	1.919	5	40	BDBB	
COC(=O)N/C=C/c1ccccc1[N+](=O)[O-]	3845158	SXKTVNKRTAIGFT-VOTSOKGWSA-N	222.200	1.922	5	40	BDBB	
N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O	2539080	NDZOOTLIHLSPMZ-LURJTMIESA-N	242.256	1.099	5	40	BDBB	
Cc1nc2c(Cl)c([N+](=O)[O-])cnc2[nH]1	238489956	LZAOJTPFRZCLHU-UHFFFAOYSA-N	212.596	1.828	5	40	BDBB	
Nc1cc2cc([N+](=O)[O-])ccc2oc1=O	150952	JQARZSMORFTYHY-UHFFFAOYSA-N	206.157	1.283	5	40	BDBB	
Cc1nnc2nc(-c3ccccc3[N+](=O)[O-])[nH]n12	3043784	NWRZKNXHWWPUEL-UHFFFAOYSA-N	244.214	1.336	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2ccccc2[N+](=O)[O-])c1	12396611	WERMOYJDRRKDPU-UHFFFAOYSA-N	234.171	1.689	5	40	BDBB	
COC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1	35333501	AHAKPCUKFZCCBV-UHFFFAOYSA-N	247.153	1.983	5	40	BDBB	
Cc1ccc(-c2nc[nH]n2)cc1[N+](=O)[O-]	91695789	YGKOOYJKBBADLL-UHFFFAOYSA-N	204.189	1.688	5	40	BDBB	
NNc1cccc(C(F)(F)F)c1[N+](=O)[O-]	16384135	HJHWMFDUNZTNCU-UHFFFAOYSA-N	221.138	1.899	5	40	BDBB	
CCOc1ccc(C(=O)OC)cc1[N+](=O)[O-]	21160911	QXCUGYPKDRAMSP-UHFFFAOYSA-N	225.200	1.780	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC[C@H](O)C2)c(Cl)c1	61707400	PTILCUQFZMQOIW-QMMMGPOBSA-N	242.662	1.819	5	40	BDBB	
N[C@@H](CC(=O)O)c1cc(Cl)ccc1[N+](=O)[O-]	34624951	LTTNYUZITGAANH-ZETCQYMHSA-N	244.634	1.723	5	40	BDBB	
O=Cc1ccc([N+](=O)[O-])cc1N1CC(F)(F)C1	95080961	YOZQQNWNYYMDOA-UHFFFAOYSA-N	242.181	1.863	5	40	BDBB	
COC(=O)CSc1ccc(N)cc1[N+](=O)[O-]	95215784	RQZYZULZVNBROB-UHFFFAOYSA-N	242.256	1.442	5	40	BDBB	
COc1cc(CCN)c([N+](=O)[O-])cc1OC	138203	XRCCQNXLMRHYBK-UHFFFAOYSA-N	226.232	1.113	5	40	BDBB	in-vitro
Cn1nccc1COc1ccc([N+](=O)[O-])cc1	72209501	KGTZXQCDYFTLNB-UHFFFAOYSA-N	233.227	1.907	5	40	BDBB	
CCOC(=O)[C@H](N)Cc1cccc([N+](=O)[O-])c1	69553645	QKOPPMGWVZNVOI-SNVBAGLBSA-N	238.243	1.028	5	40	BDBB	
Nc1cc(N2CCC[C@@H](O)C2)ccc1[N+](=O)[O-]	33975827	INKMWMCBCMAFDY-SECBINFHSA-N	237.259	1.138	5	40	BDBB	
O=C(O)c1cc2n[nH]cc2cc1[N+](=O)[O-]	89197154	VHRWGASEOBURCL-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	
c1cc2ccc3ccc[n+]4c3c2[n+](c1)CC4	125944	PUSYDLRAPRZFQW-UHFFFAOYSA-N	208.264	1.582	5	40	BDBB	
C[N+](C)(C)CCC(=O)c1ccc(O)cc1	1571867	CVLCWKUQHBAYLH-UHFFFAOYSA-O	208.281	1.671	5	40	BDBB	
Cc1ccccc1C[N+](C)(C)CCCO	1690758	WVFNKCJASDZJIK-UHFFFAOYSA-N	208.325	1.954	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]ccc2c1	2561229	DNFXHVQODXVMBS-UHFFFAOYSA-N	207.145	1.984	5	40	BDBB	
COc1c2c(cc(C(=O)O)c1[N+](=O)[O-])OCO2	65336697	BBBIPDJLOKCSMD-UHFFFAOYSA-N	241.155	1.030	5	40	BDBB	
CCOC(=O)c1cc([N+](=O)[O-])nn1C(C)C	72334137	RDHJKLXWZBJJNM-UHFFFAOYSA-N	227.220	1.549	5	40	BDBB	
COc1ccc(/C=C\[N+](=O)[O-])c(OC)c1	5048526	NUMXHEUHHRTBQT-WAYWQWQTSA-N	209.201	1.951	5	40	BDBB	
Cc1cn(-c2ccc([N+](=O)[O-])cc2)nc1O	98213550	GDRMXFAPDYQNSA-UHFFFAOYSA-N	219.200	1.795	5	40	BDBB	
CCOC(=O)CSc1ccc([N+](=O)[O-])cn1	57681834	MNSXRRRWYHIQEG-UHFFFAOYSA-N	242.256	1.645	5	40	BDBB	
Cc1ccc(S(=O)(=O)C[N+](=O)[O-])cc1	100026643	HXKBRXCBGUYTGS-UHFFFAOYSA-N	215.230	1.003	5	40	BDBB	
CC(=O)c1ccc(N2CCCO2)c([N+](=O)[O-])c1	96502642	DICQCRNUCLAACL-UHFFFAOYSA-N	236.227	1.939	5	40	BDBB	
C[S@](=N)(=O)c1ccc([N+](=O)[O-])cc1	100651964	OSHPSKAPWFEQST-ZDUSSCGKSA-N	200.219	1.630	5	40	BDBB	in-vitro
CN(C)C(=O)Cc1ccccc1[N+](=O)[O-]	6605566	YCASCIWOSLUOHW-UHFFFAOYSA-N	208.217	1.226	5	40	BDBB	
COC[C@@H](C)NCc1ccccc1[N+](=O)[O-]	54991789	PVMCZLMYYOZXCK-SECBINFHSA-N	224.260	1.719	5	40	BDBB	
CCOC(=O)Nc1ccc([N+](=O)[O-])cn1	5796347	TXJMNJQERYFPGP-UHFFFAOYSA-N	211.177	1.558	5	40	BDBB	
CCOC(=O)c1cnc2cc([N+](=O)[O-])ccc2n1	71256412	BMUPZYSFLXBIEG-UHFFFAOYSA-N	247.210	1.715	5	40	BDBB	
C[N+](C)(C)C[C@H](O)COc1ccccc1	173779	GJTCVMQXALBBCN-NSHDSACASA-N	210.297	1.133	5	40	BDBB	
Nc1cc(OCC(F)F)cc([N+](=O)[O-])c1	2558379	NKVLRUWGBCMVPU-UHFFFAOYSA-N	218.159	1.821	5	40	BDBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCCNCC1	19262342	IEYKWMKTCHCVEQ-UHFFFAOYSA-N	249.270	1.030	5	40	BDBB	
COc1cc([N+](=O)[O-])c2onc(O)c2c1	1857794562	AOPQYQRJXZPBMO-UHFFFAOYSA-N	210.145	1.450	5	40	BDBB	
Cc1ccc(-c2n[nH]c([N+](=O)[O-])n2)cc1	33097	JOBRTPNCKIQMBL-UHFFFAOYSA-N	204.189	1.688	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@@H]2CCNC2)c(F)c1	51783884	VSLCDTGYHMKNQH-MRVPVSSYSA-N	226.207	1.475	5	40	BDBB	
C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O	35149144	MHSUXQDINJZDAG-RXMQYKEDSA-N	243.650	1.534	5	40	BDBB	
O=[N+]([O-])c1cccnc1OC1CCNCC1	40434996	HXRQUTWZSQYGCM-UHFFFAOYSA-N	223.232	1.121	5	40	BDBB	
N[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1	50244066	XXAPXHVVMXESII-QMMMGPOBSA-N	225.223	1.271	5	40	BDBB	
COC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1	39251850	MWPJNFPGFILHOY-UHFFFAOYSA-N	223.184	1.341	5	40	BDBB	
O=Cc1ccc(N2CCCCC2=O)cc1[N+](=O)[O-]	199761384	KWJURJINFUIUEI-UHFFFAOYSA-N	248.238	1.924	5	40	BDBB	
Cn1c(=O)c2c(O)cc(=O)[nH]c2c2ccccc21	5687317	XHUPUNVDWKOZCL-UHFFFAOYSA-N	242.234	1.086	5	40	BDBB	
Cc1cc(-c2[nH]ncc2C(=O)O)ccc1[N+](=O)[O-]	71980929	LVPULKIBQNEDNS-UHFFFAOYSA-N	247.210	1.992	5	40	BDBB	
NNc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]	33844118	VOQIXBVKFYHUOD-UHFFFAOYSA-N	232.583	1.442	5	40	BDBB	
O=c1c([N+](=O)[O-])c(O)ccn1[C@@H]1CCCCO1	256054000	UNPABVNIUTZJIT-QMMMGPOBSA-N	240.215	1.161	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1cc(CO)on1	221261781	LIVZPJLGTCSHBK-UHFFFAOYSA-N	220.184	1.742	5	40	BDBB	in-vitro
O=C1CC[C@H]([N+](=O)[O-])[C@H](c2cccs2)N1	88834	NXGSXROJOVXBSB-IMTBSYHQSA-N	226.257	1.345	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	35333510	KXPUIBVJLYJOKE-UHFFFAOYSA-N	247.153	1.983	5	40	BDBB	
O=[N+]([O-])c1cc2nc[nH]c2cc1[N+](=O)[O-]	5248522	GJKUZDYIYKJZOB-UHFFFAOYSA-N	208.133	1.379	5	40	BDBB	in-vitro
CCN1C(=O)CCc2cc([N+](=O)[O-])ccc21	6814112	XBCBHVDKHOFPIW-UHFFFAOYSA-N	220.228	1.894	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2cc(O)on2)c1	71976603	MRVWBJWETPFOMW-UHFFFAOYSA-N	206.157	1.955	5	40	BDBB	
O=Cc1cc2c(c([N+](=O)[O-])c1)OCCO2	83230806	YWSOOKYDBDMGHY-UHFFFAOYSA-N	209.157	1.179	5	40	BDBB	
CC(=O)NC(=S)Nc1ccccc1[N+](=O)[O-]	8555202	DVZVJWMTHGUBNN-UHFFFAOYSA-N	239.256	1.428	5	40	BDBB	
Cc1ccnc(NC(C)(C)CO)c1[N+](=O)[O-]	19815729	UXCJJUOGTLRLJA-UHFFFAOYSA-N	225.248	1.481	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1OC1COC1	71791968	YZQAYZMTFLCZQH-UHFFFAOYSA-N	213.164	1.512	5	40	BDBB	
CSC(=N)NC(=O)c1ccccc1[N+](=O)[O-]	6175064	CEUNETKZMDXPEW-UHFFFAOYSA-N	239.256	1.622	5	40	BDBB	
CC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	70453880	KZRWUTBZYGDPCJ-UHFFFAOYSA-N	237.211	1.959	5	40	BDBB	
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1	95626698	RPUNZAYBJWRPCQ-UHFFFAOYSA-N	219.200	1.382	5	40	BDBB	
Cc1cc(=O)n(C)c2ccc([N+](=O)[O-])cc12	1567056	LJCFYZOIYFEDNQ-UHFFFAOYSA-N	218.212	1.755	5	40	BDBB	
O=[N+]([O-])c1ccc(NCC2(O)CCC2)nc1	78601572	KJTUYPYKMRLRGP-UHFFFAOYSA-N	223.232	1.317	5	40	BDBB	
C[C@@H]1Cc2cc3c(cc2C[N+]1(C)C)OCO3	4777748	WSYSROLVWRTJAU-SECBINFHSA-N	220.292	1.936	5	40	BDBB	
O=[N+]([O-])c1ccc(OCC2CCOCC2)nc1	67802471	NHPXNFSDLOGHPX-UHFFFAOYSA-N	238.243	1.795	5	40	BDBB	
CCOc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	226233345	DOQKDMFYKYVNHM-UHFFFAOYSA-N	227.172	1.397	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CCC[C@H]1CO	42434578	QBNCWJIGCWRBQG-VIFPVBQESA-N	222.244	1.556	5	40	BDBB	
O=C(O)/C=C\c1cc2c(cc1[N+](=O)[O-])OCO2	13130183	GJAIAEVUUHUHTE-UPHRSURJSA-N	237.167	1.421	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cccc(F)c2)N1	13992158	QFAZBZJWJDQADR-GXSJLCMTSA-N	238.218	1.422	5	40	BDBB	
C=CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1736536	MZKZSNKRTIDCRI-UHFFFAOYSA-N	213.214	1.512	5	40	BDBB	in-vitro
COc1cc([N+](=O)[O-])c(OC)cc1C=O	38867195	MZUYNPXWLAMCAG-UHFFFAOYSA-N	211.173	1.425	5	40	BDBB	
Cc1n[nH]c(NCc2ccco2)c1[N+](=O)[O-]	3901790	NEMZBQFQHRDJNE-UHFFFAOYSA-N	222.204	1.831	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c1	100076251	XPARNGAWWCCOIM-UHFFFAOYSA-N	231.095	1.550	5	40	BDBB	
CON(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1	113700038	CMJUBRUOLDHBQH-UHFFFAOYSA-N	228.179	1.367	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c(N)cc1F	98095420	NTQYZIKTOQINKI-UHFFFAOYSA-N	214.152	1.103	5	40	BDBB	in-vitro
O=C(O)c1cc2cc([N+](=O)[O-])cc(F)c2[nH]1	44185302	DAEPDAFWYPLRHC-UHFFFAOYSA-N	224.147	1.913	5	40	BDBB	in-vitro
CO[C@@H](CCC[N+](C)(C)C)CC[N+](C)(C)C	5764617	ZJFVOGQIQPTVJJ-ZDUSSCGKSA-N	232.412	1.584	5	40	BDBB	
O=[N+]([O-])c1cncc([N+](=O)[O-])c1Cl	2571269	XXKUEMVJROHZAF-UHFFFAOYSA-N	203.541	1.551	5	40	BDBB	in-vitro
COCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	3888864	RSCXWQLDHNTXQJ-UHFFFAOYSA-N	240.215	1.351	5	40	BDBB	
NC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	34434887	HYEDPFBCEJWDCB-UHFFFAOYSA-N	245.578	1.255	5	40	BDBB	
Cc1nonc1COc1ccsc1[N+](=O)[O-]	521394970	IZRJSGDZRKKUFY-UHFFFAOYSA-N	241.228	1.927	5	40	BDBB	
O=C(O)COc1cc([N+](=O)[O-])cc2cccnc12	548337	OULUYXOZBJNYRY-UHFFFAOYSA-N	248.194	1.606	5	40	BDBB	
Nc1c(F)cnc(Br)c1[N+](=O)[O-]	77011290	FSWBMPKJVVBGEM-UHFFFAOYSA-N	236.000	1.474	5	40	BDBB	
COC(=O)COc1ccc([N+](=O)[O-])cc1Cl	1722637	XBWCBDKVCXEJIE-UHFFFAOYSA-N	245.618	1.800	5	40	BDBB	
C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@@H]1CCCO1	35216653	LYSGMXFNYDPMNZ-SCZZXKLOSA-N	237.259	1.969	5	40	BDBB	
O=c1sccn1Cc1ccc([N+](=O)[O-])cc1	71921877	UXEBUJHOZBGJAS-UHFFFAOYSA-N	236.252	1.866	5	40	BDBB	
O=[N+]([O-])c1c(O)nc(/C=C\c2ccc[nH]2)nc1O	409332564	QHXHRVBIFKXHKV-ARJAWSKDSA-N	248.198	1.295	5	40	BDBB	
Nc1nc(NC2CCCC2)ncc1[N+](=O)[O-]	48544166	MSHUOSCLHYKSNC-UHFFFAOYSA-N	223.236	1.322	5	40	BDBB	
Cc1cc(-c2cc(N)[nH]n2)ccc1[N+](=O)[O-]	19517719	QVTOPTBIXULZEP-UHFFFAOYSA-N	218.216	1.876	5	40	BDBB	
Cc1cc(NN)c([N+](=O)[O-])cc1[N+](=O)[O-]	5212242	YBLLLDQIYSHJCB-UHFFFAOYSA-N	212.165	1.097	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc(-c2nnc(S)[nH]2)ccc1O	6471197	LMAMJUUHEQCDSQ-UHFFFAOYSA-N	238.228	1.374	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2cnnc2)c(Cl)c1	70461685	KMBSJQXWYZIZFS-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
C[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	345372	PRMRZXDCDPVYAZ-ZETCQYMHSA-N	237.211	1.888	5	40	BDBB	
C[N+]1(C)CC[C@H](O)[C@@H](c2ccccc2)C1	1593056	JDKZWVSCQZMZQO-OLZOCXBDSA-N	206.309	1.611	5	40	BDBB	
C[C@@H](O)CNCc1ccc([N+](=O)[O-])cc1	8535091	MELZPPYLLIVSJH-MRVPVSSYSA-N	210.233	1.065	5	40	BDBB	
CC[C@@H]1ON=C(c2ccccc2)[C@@H]1[N+](=O)[O-]	4016980	RHJVAXCZJRZNJS-GXSJLCMTSA-N	220.228	1.845	5	40	BDBB	
COc1c(F)cc(F)c(OC)c1[N+](=O)[O-]	1857794722	NGRLUSBSLAPAKL-UHFFFAOYSA-N	219.143	1.890	5	40	BDBB	
COc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	32233422	DRYWDVOZWVCJEY-UHFFFAOYSA-N	213.145	1.007	5	40	BDBB	
CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1688938	OFJQZKXNQMOMHY-UHFFFAOYSA-N	220.184	1.211	5	40	BDBB	
CCC[N+](C)(C)CC[N+](C)(C)CCOC	56897677	SFJOCFDJPHSDNV-UHFFFAOYSA-N	218.385	1.196	5	40	BDBB	in-vitro
CC(=O)Oc1ccccc1/C=C/[N+](=O)[O-]	144927091	XWNMLAAAYYTKTD-VOTSOKGWSA-N	207.185	1.859	5	40	BDBB	
Cc1c(C(=O)Nc2nc[nH]n2)cccc1[N+](=O)[O-]	321543	MAFKRKUCJKSNDY-UHFFFAOYSA-N	247.214	1.274	5	40	BDBB	
CC1=NN(c2ccccc2)[C@@H](C)[C@@H]1[N+](=O)[O-]	96666	LHJCCNGHUYYUFA-GXSJLCMTSA-N	219.244	1.916	5	40	BDBB	
C[C@H]([N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1	1760506	WKUGOUZCTFUAKO-ZCFIWIBFSA-N	249.675	1.736	5	40	BDBB	
COc1ccc([C@@H](CC(=O)O)C[N+](=O)[O-])cc1	57529601	GIGAUSGQPJTXND-VIFPVBQESA-N	239.227	1.530	5	40	BDBB	
CCOc1cc(C=O)cc([N+](=O)[O-])c1OC	20156245	MXUJDMUVATTZHT-UHFFFAOYSA-N	225.200	1.815	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(N)=O	216905335	LSEUZQOQCBLIQZ-UHFFFAOYSA-N	224.216	1.076	5	40	BDBB	
COc1cccc2cc([N+](=O)[O-])c(=O)oc12	339688	QNUXDVHLEIGXAA-UHFFFAOYSA-N	221.168	1.710	5	40	BDBB	
CCOC(=O)c1nn([C@H](C)CC)cc1[N+](=O)[O-]	408715684	CKXXTKZNEFRWJW-SSDOTTSWSA-N	241.247	1.939	5	40	BDBB	
CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	284823	DVDFUYYXNPBAGV-UHFFFAOYSA-N	208.217	1.653	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(NC2CCCC2)n1	95098556	NUGMXFZCACSBML-UHFFFAOYSA-N	210.237	1.683	5	40	BDBB	
C[C@H]1C[C@H](C[N+](=O)[O-])CC2(C1)OCCO2	5809806	LWQRTEGTTCEEFE-IUCAKERBSA-N	215.249	1.442	5	40	BDBB	
COCCCNc1ncccc1[N+](=O)[O-]	20863072	IEULFROBCQXLEN-UHFFFAOYSA-N	211.221	1.438	5	40	BDBB	
CCNC(=S)NNc1ccc([N+](=O)[O-])cc1	4075692	JOTSDLWQYDHMCY-UHFFFAOYSA-N	240.288	1.406	5	40	BDBB	
CCNC(=O)CNc1ccc([N+](=O)[O-])cc1	9322881	GSXAZDLQHRNEEP-UHFFFAOYSA-N	223.232	1.143	5	40	BDBB	
NCc1nc(-c2cccc([N+](=O)[O-])c2)no1	35697463	VRBFZLQIYKEFAM-UHFFFAOYSA-N	220.188	1.104	5	40	BDBB	
C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(=O)O	35388283	COVATTUBIHNQFA-SSDOTTSWSA-N	224.216	1.158	5	40	BDBB	
N=c1c2ccccc2c2ccccc2n1N	4280565	MCXVODRTRMZXFQ-UHFFFAOYSA-N	209.252	1.988	5	40	BDBB	
COC(=O)c1cc(F)cc([N+](=O)[O-])c1O	79006813	PZACJKRMTSMEEM-UHFFFAOYSA-N	215.136	1.226	5	40	BDBB	
C[C@@](N)(CC(=O)O)c1ccc([N+](=O)[O-])cc1	96345500	UARPLVHWZJYCSD-SNVBAGLBSA-N	224.216	1.243	5	40	BDBB	in-vitro
O=C(O)c1cn(Cc2ccccc2)nc1[N+](=O)[O-]	205931282	WBGCEXALINTAKU-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
COc1cc(OC)c([N+](=O)[O-])cc1OC	339723	SXVFZZZETDRISD-UHFFFAOYSA-N	213.189	1.621	5	40	BDBB	
C[C@@H](Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)O	1559043	BMFORKAFSIKZRL-LURJTMIESA-N	246.244	1.241	5	40	BDBB	
C[N+](C)(C)C[C@@H]1CCC[C@@H](C[N+](C)(C)C)C1O	1620425	RGEJGKAPVHMJMK-STQMWFEESA-N	244.423	1.176	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCCNCC2)cc1	5390824	LIQIZDGKPDHEPC-UHFFFAOYSA-N	221.260	1.395	5	40	BDBB	
NC(=O)c1cc([N+](=O)[O-])cc2ccccc12	96524026	SLOJXBTUMKRJQJ-UHFFFAOYSA-N	216.196	1.847	5	40	BDBB	
O=C1Nc2c([N+](=O)[O-])cccc2C1(F)F	252487633	HYPIDMGKIGBVTR-UHFFFAOYSA-N	214.127	1.639	5	40	BDBB	
OCc1ccc2ccc3ccc(CO)nc3c2n1	391500	IEPOQNOTFLXUPQ-UHFFFAOYSA-N	240.262	1.768	5	40	BDBB	
CCC[N+](C)(C)CC[N+](C)(C)CCC	1704443	YNZBFSCUBKTAOL-UHFFFAOYSA-N	202.386	1.959	5	40	BDBB	
CC(=O)Oc1ccc(OC(C)=O)c([N+](=O)[O-])c1	1725958	IWVMDDXGASKALM-UHFFFAOYSA-N	239.183	1.445	5	40	BDBB	
Nc1cccc[n+]1Cc1ccc([N+](=O)[O-])cc1	118936093	IHBMFEJMJUQGIK-UHFFFAOYSA-O	230.247	1.513	5	40	BDBB	
O=c1ccc2cc[nH]c3ccccc3c=2c1=O	220669424	CDYOIANZGVEHHL-UHFFFAOYSA-N	223.231	1.613	5	40	BDBB	
CCOC(=O)C[C@H](C)[C@@H](CC)[N+](=O)[O-]	1696834	UZHUGGMTFKMZBV-JGVFFNPUSA-N	203.238	1.631	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])n(C2CCCC2)n1	20313952	RRMKSQKIZORBQZ-UHFFFAOYSA-N	225.204	1.605	5	40	BDBB	
C[C@H]1Oc2ccc([N+](=O)[O-])cc2N(C)C1=O	5721842	DCBVQSIPKBRMKJ-ZCFIWIBFSA-N	222.200	1.339	5	40	BDBB	
Cc1cc(N(C)CC(=O)O)c([N+](=O)[O-])cc1F	63110910	ASQGVVDRJGPXDU-UHFFFAOYSA-N	242.206	1.563	5	40	BDBB	
CC[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408716538	NYUQVECXZUXLOM-BYPYZUCNSA-N	249.173	1.765	5	40	BDBB	
CC(=O)Oc1ccc(C(=O)O)c([N+](=O)[O-])c1	12359484	LCFXHMRHNQRNMD-UHFFFAOYSA-N	225.156	1.218	5	40	BDBB	
COc1cc(/C=C\C(=O)O)cc([N+](=O)[O-])c1O	8612613	PQFQIWNHGCVXIB-IHWYPQMZSA-N	239.183	1.407	5	40	BDBB	
Nc1cc(N2CCCC2)ncc1[N+](=O)[O-]	95643101	KXRLXNKGRHCBDI-UHFFFAOYSA-N	208.221	1.172	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1-c1cc(N)n[nH]1	41031469	XLKHVFUQVXJGTP-UHFFFAOYSA-N	218.216	1.876	5	40	BDBB	
O=Cc1cc(Br)ncc1[N+](=O)[O-]	95764293	JOAYCTUFIZVPPE-UHFFFAOYSA-N	231.005	1.565	5	40	BDBB	
O=[N+]([O-])c1ncc(Br)cc1O	71864175	OOPJQYJTWRBGME-UHFFFAOYSA-N	218.994	1.458	5	40	BDBB	in-vitro
O=C(O)Cc1ccc2cccnc2c1[N+](=O)[O-]	72206550	ABQIKMXFPHTUGU-UHFFFAOYSA-N	232.195	1.770	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1NCCn1cnnc1	45958622	DTXMEIAKESEVEW-UHFFFAOYSA-N	247.258	1.607	5	40	BDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1-n1cccn1	95117297	VCTRYGOJYUPQPB-UHFFFAOYSA-N	246.226	1.140	5	40	BDBB	
O=C(O)C12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2[N+](=O)[O-]	108424412	XDXSQNDERUKYLD-AYIJYCAOSA-N	225.244	1.543	5	40	BDBB	
CCNS(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	37022068	AZIGJGVWAIKJAI-UHFFFAOYSA-N	248.235	1.032	5	40	BDBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1CN	35414597	UBPXWPDUNWLUSQ-UHFFFAOYSA-N	210.233	1.841	5	40	BDBB	
CN(C)[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	57529233	APQUWXJNNIESDA-JTQLQIEISA-N	238.243	1.152	5	40	BDBB	
Cc1nnc2nc(-c3cccc([N+](=O)[O-])c3)[nH]n12	369038	QJDLEKBMROPRDC-UHFFFAOYSA-N	244.214	1.336	5	40	BDBB	
Cc1cc([N+](=O)[O-])n(CC(F)(F)F)n1	12396441	LGXSBBCHKFBZBT-UHFFFAOYSA-N	209.127	1.662	5	40	BDBB	
CC(=O)Nc1ccc([N+](=O)[O-])c(C(C)=O)c1	4721674	AZPKTDHDQUTREM-UHFFFAOYSA-N	222.200	1.756	5	40	BDBB	
COc1ccc(C(=O)N(C)OC)cc1[N+](=O)[O-]	47219239	KSWMVTSQULHJRH-UHFFFAOYSA-N	240.215	1.237	5	40	BDBB	
CCO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	206117495	DJWIRYGIZKEUOG-JTQLQIEISA-N	239.227	1.627	5	40	BDBB	
O=C(O)Cn1ccc2cccc([N+](=O)[O-])c21	157884893	HBJYWPWXFBHZAF-UHFFFAOYSA-N	220.184	1.634	5	40	BDBB	
O=[N+]([O-])[C@@H]1CC=CN[C@H]1c1ccccc1	1700521	XYBPOQOEIHCJLO-MNOVXSKESA-N	204.229	1.880	5	40	BDBB	
CCOc1cccc([N+](=O)[O-])c1C(=O)O	39099812	BUYJNLXTGLXKKY-UHFFFAOYSA-N	211.173	1.692	5	40	BDBB	in-vitro
Cc1ncc([N+](=O)[O-])n1CC(=O)c1ccccc1	38418394	QVIFEVURBPZSHB-UHFFFAOYSA-N	245.238	1.983	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1-c1cc(N)n[nH]1	44747792	QSRUJQGVILHNBJ-UHFFFAOYSA-N	218.216	1.876	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])cc1)C1CCNCC1	39081851	GCVRXMVDDSFXFX-UHFFFAOYSA-N	234.255	1.777	5	40	BDBB	in-vitro
COc1ccc([N+](=O)[O-])cc1/C=C/C(N)=O	44262202	JLDGIXKRKOONAR-GORDUTHDSA-N	222.200	1.102	5	40	BDBB	
C[C@H](Cc1ccccc1[N+](=O)[O-])C(=O)O	39209472	OYVPRJZBBVQUQJ-SSDOTTSWSA-N	209.201	1.858	5	40	BDBB	
CN(C)CCCNc1ccc([N+](=O)[O-])cn1	20023567	HKHGKYUDPOLSFT-UHFFFAOYSA-N	224.264	1.353	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1N1CCC[C@@H]1CO	42434557	PQTPZHQTYUMHJP-MRVPVSSYSA-N	240.234	1.695	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nc(CO)co2)cc1	95635218	AKLVFZDAFAQUHP-UHFFFAOYSA-N	220.184	1.742	5	40	BDBB	in-vitro
O=C1C[C@@H]2c3ccccc3[C@@H](C1)C2[N+](=O)[O-]	100644181	LMZWVGBFRUORCV-GHMZBOCLSA-N	217.224	1.876	5	40	BDBB	
Cc1nccn1C[C@@H](O)c1cccc([N+](=O)[O-])c1	95974633	CCQPNYQJVXQWHY-GFCCVEGCSA-N	247.254	1.833	5	40	BDBB	
O=c1[nH]nc(-c2ccc([N+](=O)[O-])cc2Cl)o1	40448113	ZUPQLGZLJYUXGA-UHFFFAOYSA-N	241.590	1.592	5	40	BDBB	
Cc1c(O)nc2c([N+](=O)[O-])cccc2c1O	685937492	YUKGBFHOJMJJCZ-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	
O=C(O)CSc1ccsc1[N+](=O)[O-]	3030332	MEEZSVKAWULOFH-UHFFFAOYSA-N	219.243	1.833	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(O[C@H]2CCNC2)c(Cl)c1	42783036	DGENJXLKQLLMCR-QMMMGPOBSA-N	242.662	1.989	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1)N(CCCO)CC2	97111433	IWFAZJALJRZIGT-UHFFFAOYSA-N	222.244	1.340	5	40	BDBB	
Cn1cc(Cn2ncc(Cl)c2[N+](=O)[O-])cn1	13961073	AYZLKBLDSNCZFV-UHFFFAOYSA-N	241.638	1.227	5	40	BDBB	
C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](N)C(=O)O	5671901	UGAGINQCEMIKQG-IMTBSYHQSA-N	224.216	1.110	5	40	BDBB	
Oc1nnc2ccc(nnc1O)c1ccccc21	17314783	IPHFJFIFNLCUQS-UHFFFAOYSA-N	240.222	1.546	5	40	BDBB	
CC(=O)Oc1cc([N+](=O)[O-])c2[nH]ncc2c1	16123735	HTXSKDSGGTXTRR-UHFFFAOYSA-N	221.172	1.396	5	40	BDBB	
COC(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	35333489	LVZFLOWTQVCWDY-UHFFFAOYSA-N	229.163	1.529	5	40	BDBB	
Cn1cnnc1-c1ccccc1[N+](=O)[O-]	96191923	BCMWOFOITJYMBU-UHFFFAOYSA-N	204.189	1.390	5	40	BDBB	
CCOC(=O)C(=O)c1cc([N+](=O)[O-])ccc1F	1857793364	HZAYYYMAHYPBBU-UHFFFAOYSA-N	241.174	1.480	5	40	BDBB	
CNC(=O)c1noc2cc([N+](=O)[O-])ccc12	4090398	RLCVICWUJNELHY-UHFFFAOYSA-N	221.172	1.096	5	40	BDBB	
O=[N+]([O-])/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100482599	HGESYNNHMWASIC-ONEGZZNKSA-N	239.143	1.750	5	40	BDBB	
O=[N+]([O-])c1cc(-n2cnnc2)ccc1Cl	70461540	RIKMGHVGFNCVGE-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
CC(=O)COc1cc(N(C)C)ccc1[N+](=O)[O-]	75093572	GTQQLZPDZVOUER-UHFFFAOYSA-N	238.243	1.629	5	40	BDBB	
C=C(C(=O)OC)c1ccc([N+](=O)[O-])cc1	3851730	UWTCMGKGFSXLRK-UHFFFAOYSA-N	207.185	1.781	5	40	BDBB	biogenic
O=c1c(=O)c2ccc([N+](=O)[O-])c3cccc1c32	1615452	VORQCKQMIFWVAB-UHFFFAOYSA-N	227.175	1.497	5	40	BDBB	
CC1(C)NN=C([N+](=O)[O-])[C@H]1c1ccccc1	1608156	PUNQLAYZKUPNCC-SECBINFHSA-N	219.244	1.742	5	40	BDBB	
CCCC1(C)OCC(C)([N+](=O)[O-])CO1	1621042	UKVRTJXVXJOUME-UHFFFAOYSA-N	203.238	1.585	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])ccc1N1CCSC1	95081466	XJJONWNRWHJOED-UHFFFAOYSA-N	238.268	1.918	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])c2cccnc2c1O	95594280	LZILWGCNGBNRCI-UHFFFAOYSA-N	234.167	1.547	5	40	BDBB	
COC(=O)c1cc(Cl)c([N+](=O)[O-])[nH]1	217653340	OUHBTZGZPWAUIZ-UHFFFAOYSA-N	204.569	1.363	5	40	BDBB	
CN(C)/C=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	100255278	JKRFBGUETREWIP-RMKNXTFCSA-N	233.227	1.449	5	40	BDBB	
CCONC(=O)c1ccc([N+](=O)[O-])cc1Cl	12751811	FFLQCLNQGOTFRD-UHFFFAOYSA-N	244.634	1.930	5	40	BDBB	
C[C@H](C(=O)O)n1ncc([N+](=O)[O-])c1C(F)F	408716969	UCUJNVATESPLIG-GSVOUGTGSA-N	235.146	1.375	5	40	BDBB	
Nc1nnc(Nc2ccc([N+](=O)[O-])cc2)[nH]1	225970137	QUUMILLWHFLEQY-UHFFFAOYSA-N	220.192	1.039	5	40	BDBB	
O=C(O)c1[nH]nc2cccc([N+](=O)[O-])c12	14983398	NOGNCWRLCOJHDF-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	
CCOc1ncc([N+](=O)[O-])c(OCC)n1	1667752	WCEIGOUJTJFAFL-UHFFFAOYSA-N	213.193	1.182	5	40	BDBB	
O=[N+]([O-])c1cccc(OC[C@H]2CCNC2)c1	38580801	JHGXVKJNSRVGHX-VIFPVBQESA-N	222.244	1.583	5	40	BDBB	
CC(C)(C)c1cc2n(n1)C1=NCC[N@+]1(C)C=N2	247694029	YCLMSDNXVONSGO-QGZVFWFLSA-N	232.311	1.518	5	40	BDBB	
CCN(c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)O	260680969	ZUGWXGATSINGMB-MRVPVSSYSA-N	238.243	1.894	5	40	BDBB	
Cn1cc(COc2ccc([N+](=O)[O-])cn2)cn1	22638036	XBZBFIZGXKUXFL-UHFFFAOYSA-N	234.215	1.302	5	40	BDBB	
COC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1	64443913	WBGLHEOTVBNBFC-UHFFFAOYSA-N	247.210	1.567	5	40	BDBB	
O=Cc1ccc(SCC(=O)O)c([N+](=O)[O-])c1	4558031	LCYXQRNOZVMFFY-UHFFFAOYSA-N	241.224	1.584	5	40	BDBB	
COc1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-]	20227886	JBNVBQAUVQINSS-UHFFFAOYSA-N	231.591	1.955	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)CCO	77226171	LHIDPYZLOZXHTG-QMMMGPOBSA-N	225.248	1.481	5	40	BDBB	
N[C@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)CC1	100809886	RDQGLASJCOBMBU-TXEJJXNPSA-N	249.314	1.954	5	40	BDBB	
Cc1ccc([C@H](N)CC(=O)O)cc1[N+](=O)[O-]	2586125	UMRIFKHXHJAZOC-MRVPVSSYSA-N	224.216	1.378	5	40	BDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1	15443161	CPSPDIOZYSRWAZ-QMMMGPOBSA-N	239.250	1.532	5	40	BDBB	
Cc1c[n+]([O-])cc(Br)c1[N+](=O)[O-]	71256136	YBGKYSWNNHYRPT-UHFFFAOYSA-N	233.021	1.299	5	40	BDBB	
O=[N+]([O-])c1cc2c(cc1Cl)CNCC2	97062498	KFCNHVMLOCIZKK-UHFFFAOYSA-N	212.636	1.894	5	40	BDBB	in-vitro
CC[C@H](C)Nc1ncnc(N)c1[N+](=O)[O-]	4059565	QLKQFKNRTQZULE-YFKPBYRVSA-N	211.225	1.177	5	40	BDBB	
O=C(O)CCc1ccc(F)c([N+](=O)[O-])c1	34452360	IHRNYARREWSFGQ-UHFFFAOYSA-N	213.164	1.751	5	40	BDBB	
Cn1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1	2795500	OVDCBSPQAXTCCO-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
NC(=S)c1cc([N+](=O)[O-])ccc1OC(F)F	85397012	NUXAWFBCHBBOJG-UHFFFAOYSA-N	248.210	1.830	5	40	BDBB	
Cc1nnnn1Cc1ccc([N+](=O)[O-])cc1F	96467745	KCWFEUYVEPURQW-UHFFFAOYSA-N	237.194	1.077	5	40	BDBB	
COC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1	12395847	QYRFTDSSXJCEPD-UHFFFAOYSA-N	233.611	1.008	5	40	BDBB	
Nc1ncnc(NC2CCCC2)c1[N+](=O)[O-]	3912513	LSYCSEWHAADANS-UHFFFAOYSA-N	223.236	1.322	5	40	BDBB	
CC(C)(C)OC(=O)Nc1n[nH]cc1[N+](=O)[O-]	1548918898	NEICYKCOGCKQKK-UHFFFAOYSA-N	228.208	1.665	5	40	BDBB	
CC(=O)O[C@H]1C[C@H]2CCCC[C@@H]2[N+](C)(C)C1	5395489	HIOCBGYLJFSZOO-AGIUHOORSA-N	226.340	1.957	5	40	BDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)n1cc(C)cn1	2778514	GEEYOTDZPFYPIP-UHFFFAOYSA-N	249.230	1.005	5	40	BDBB	
O=[N+]([O-])c1cc2nc(O)[nH]c2cc1[N+](=O)[O-]	15009346	TZDUUWCJIOBQOD-UHFFFAOYSA-N	224.132	1.085	5	40	BDBB	in-vitro
CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1N	50201064	OHKBDRRSVILNDY-UHFFFAOYSA-N	223.232	1.315	5	40	BDBB	
O=c1[nH]c(-c2ccccc2)ccc1[N+](=O)[O-]	39149796	TZLOZYXBABTGID-UHFFFAOYSA-N	216.196	1.950	5	40	BDBB	
CCOC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	68576648	MAGLVFFQIFGJIS-UHFFFAOYSA-N	230.607	1.820	5	40	BDBB	in-vitro
O=c1ccn(CC2CCCC2)cc1[N+](=O)[O-]	95412965	PDYZCPJYMWPFIC-UHFFFAOYSA-N	222.244	1.947	5	40	BDBB	
COCCSc1ccc([N+](=O)[O-])cn1	75321197	ZMRLIOQNQDNMRR-UHFFFAOYSA-N	214.246	1.728	5	40	BDBB	
COc1ccccc1-n1cnc([N+](=O)[O-])n1	199728404	RNNGBJIEYVMNRF-UHFFFAOYSA-N	220.188	1.184	5	40	BDBB	
Cc1nc([N+](=O)[O-])nn1Cc1ccccc1	95116228	WQQWAYPXECZLFZ-UHFFFAOYSA-N	218.216	1.543	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)ccc1-n1cncn1	36617320	QCRQIEXBUXTGOP-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
O=c1c([N+](=O)[O-])cccn1C[C@@H]1CCCCO1	78979232	DDCYSPAHDWBDBO-VIFPVBQESA-N	238.243	1.326	5	40	BDBB	
COC(=O)Cc1c[nH]c2c([N+](=O)[O-])cccc12	88242464	SGGUKELSEXDIDH-UHFFFAOYSA-N	234.211	1.792	5	40	BDBB	
COC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12	34544233	DPVZLQDJENBUSQ-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	in-vitro
Cn1nnc2ccc(Cl)c([N+](=O)[O-])c21	218256002	YYXIDQYNJBFARC-UHFFFAOYSA-N	212.596	1.530	5	40	BDBB	
O=[N+]([O-])c1cccc(N2CCCNCC2)c1	26896787	IZXOFIZUDVFRNW-UHFFFAOYSA-N	221.260	1.395	5	40	BDBB	
O=Cc1cnn(-c2cccc([N+](=O)[O-])c2)c1	333268	RBJGWNCUVCJTRI-UHFFFAOYSA-N	217.184	1.593	5	40	BDBB	
CCOC(Cn1nc([N+](=O)[O-])cc1C)OCC	12395685	IWYPPDHYPBNYKU-UHFFFAOYSA-N	243.263	1.499	5	40	BDBB	
C[C@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1	6443239	ARYWOYLHKLLIHV-SSDOTTSWSA-N	215.230	1.083	5	40	BDBB	
O=c1[nH]c(-c2ccncc2)ccc1[N+](=O)[O-]	39343995	LCWDVMLTUGEQIG-UHFFFAOYSA-N	217.184	1.345	5	40	BDBB	
CN(C)CCO[C@@H](c1ccc(F)s1)[N+](=O)[O-]	228915785	NAZQRKSPOGPMMU-VIFPVBQESA-N	248.279	1.741	5	40	BDBB	
Cc1nc(Cl)c(C(=O)O)c(C)c1[N+](=O)[O-]	269483	VXANYRZXUFAXKK-UHFFFAOYSA-N	230.607	1.958	5	40	BDBB	
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12	5394916	PNNXRCCDLJTSRH-UHFFFAOYSA-N	234.171	1.633	5	40	BDBB	
CC(=O)Oc1ccc(/C=C\[N+](=O)[O-])cc1	5493349	JZLFVESJVCYKCS-SREVYHEPSA-N	207.185	1.859	5	40	BDBB	
C[N+]12CCC(c3ccccc3)(CC1)[C@H](O)C2	1594081	HWSJHLHRHLEJPM-WLYUNCDWSA-N	218.320	1.539	5	40	BDBB	
CC(=O)N/C=C/c1ccccc1[N+](=O)[O-]	3845785	WJGPMPPKMVRJTO-VOTSOKGWSA-N	206.201	1.702	5	40	BDBB	
CCNS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1	37022070	GPGWMFTZWNCACD-UHFFFAOYSA-N	248.235	1.032	5	40	BDBB	
CN1C(=O)C(C)(C)N=C1c1ccc([N+](=O)[O-])cc1	24718226	KNYYCLPBJJPNFS-UHFFFAOYSA-N	247.254	1.592	5	40	BDBB	
Cc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1	79844506	MRVQHWLGKAVHRB-UHFFFAOYSA-N	227.132	1.720	5	40	BDBB	
COc1c(C)cc([N+](=O)[O-])cc1C(=O)O	40545599	HRXQWRURYAHEEI-UHFFFAOYSA-N	211.173	1.610	5	40	BDBB	
COc1cc2sc(N)nc2cc1[N+](=O)[O-]	20154412	AQIPCUMJMPWGRJ-UHFFFAOYSA-N	225.229	1.795	5	40	BDBB	
O=C(O)Cc1ccc([N+](=O)[O-])cc1Cl	22199906	BYVVWINDBFSBQK-UHFFFAOYSA-N	215.592	1.875	5	40	BDBB	in-vitro
C[C@H](O)CCN(C)c1ccc([N+](=O)[O-])nc1	78417986	GRUPREFFSGQJCQ-QMMMGPOBSA-N	225.248	1.197	5	40	BDBB	
CCOC(=O)c1nn(CC(C)C)cc1[N+](=O)[O-]	408715796	DUVUHBGAXGOKIR-UHFFFAOYSA-N	241.247	1.624	5	40	BDBB	
CCn1ncc([N+](=O)[O-])c1C(=O)NCC(C)C	72209497	GIYUBILASCRJJA-UHFFFAOYSA-N	240.263	1.197	5	40	BDBB	
CCOC(=O)c1ccc([N+](=O)[O-])cc1OC	45957482	CHTSRBLYVZWEQJ-UHFFFAOYSA-N	225.200	1.780	5	40	BDBB	
CO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	220887154	ZMUKUSPOMPSHQQ-VIFPVBQESA-N	225.200	1.237	5	40	BDBB	
Cc1nc([N+](=O)[O-])cn1CCc1ccncc1	1857777698	JMSOWYSXQBZYDE-UHFFFAOYSA-N	232.243	1.737	5	40	BDBB	
Cc1nnc(Sc2ccc([N+](=O)[O-])cn2)o1	7365893	NGRFFKVPXIDNEB-UHFFFAOYSA-N	238.228	1.832	5	40	BDBB	
COC(=O)CNc1ccccc1[N+](=O)[O-]	21003631	DCQOTHBVHDCEHW-UHFFFAOYSA-N	210.189	1.180	5	40	BDBB	
CC(C)[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)O	19754005	CHQDVCCSZLNKJA-QMMMGPOBSA-N	239.231	1.511	5	40	BDBB	
O=C(O)c1nc(-c2ccccc2[N+](=O)[O-])n[nH]1	95532214	XJJRSGDMQAJOMK-UHFFFAOYSA-N	234.171	1.078	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](c2cccs2)N1	88835	NXGSXROJOVXBSB-RCOVLWMOSA-N	226.257	1.345	5	40	BDBB	
C[C@@H]1CNCCN1Cc1cccc([N+](=O)[O-])c1	54374114	ZVHBQJJVMVFXRM-SNVBAGLBSA-N	235.287	1.389	5	40	BDBB	
O=C(O)c1cc(Br)c([N+](=O)[O-])o1	85395543	RQWSGKBGYFGZFN-UHFFFAOYSA-N	235.977	1.649	5	40	BDBB	
Cc1cc(N(C)C)c([N+](=O)[O-])cc1C=O	5124954	KALZBEHOCOKTQQ-UHFFFAOYSA-N	208.217	1.782	5	40	BDBB	
CCOC(=O)Nc1ccc([N+](=O)[O-])cc1O	34538894	NZEXUOZLXSEWRF-UHFFFAOYSA-N	226.188	1.869	5	40	BDBB	
COC(=O)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]	26898904	CVECQSXVBHHMBT-UHFFFAOYSA-N	226.144	1.290	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](C2CCCC2)N1	13992135	FBHUYEVWXVQWFZ-WCBMZHEXSA-N	212.249	1.101	5	40	BDBB	in-vitro
Cc1ccn2cc(C(=O)O)nc2c1[N+](=O)[O-]	40447986	YRHLCUBLOIXXQD-UHFFFAOYSA-N	221.172	1.249	5	40	BDBB	
O=[N+]([O-])c1ccccc1NC[C@@H]1CCCN1	53255032	YMUOJDPYCKPFNB-VIFPVBQESA-N	221.260	1.759	5	40	BDBB	
CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1[N+](=O)[O-]	4127894	ICYSFILFIMDAOE-UHFFFAOYSA-N	239.187	1.770	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1Cl)CCNCC2	29060903	NDFYZOYUHRVRJQ-UHFFFAOYSA-N	226.663	1.936	5	40	BDBB	
Cc1cccc(C[N+](C)(C)CCO)c1C	1600315	NLTHAXJUOUYICN-UHFFFAOYSA-N	208.325	1.872	5	40	BDBB	
CC1(C)C(=O)Nc2cc([N+](=O)[O-])c(O)cc21	59196206	GLGSULOUMYONRR-UHFFFAOYSA-N	222.200	1.530	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1CC(=O)O	3750870	TZQZNDOEOCOJFS-UHFFFAOYSA-N	211.173	1.231	5	40	BDBB	in-vitro
Cc1nn(CC(F)(F)F)cc1[N+](=O)[O-]	72334098	KFFATVDPKIIPFY-UHFFFAOYSA-N	209.127	1.662	5	40	BDBB	
COc1cc([N+](=O)[O-])c2[nH]c(=O)ccc2c1	17021311	IGCHHZZIFYTANC-UHFFFAOYSA-N	220.184	1.445	5	40	BDBB	
COC(=O)Cc1ccc([N+](=O)[O-])s1	35333498	BYXXCKXNNUMAJX-UHFFFAOYSA-N	201.203	1.372	5	40	BDBB	in-vitro
Nc1c([N+](=O)[O-])cc(-c2c[nH]cn2)cc1[N+](=O)[O-]	13152490	FXPXXRRXMGOFOY-UHFFFAOYSA-N	249.186	1.475	5	40	BDBB	
Cn1nc([N+](=O)[O-])cc1COc1ccccc1	72336340	LWULEXCAXFTFNE-UHFFFAOYSA-N	233.227	1.907	5	40	BDBB	
C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](N)C(=O)O	19898196	UGAGINQCEMIKQG-RCOVLWMOSA-N	224.216	1.110	5	40	BDBB	
NNc1c([N+](=O)[O-])cnc2ccccc12	16525279	SKRZKNWOHLTARM-UHFFFAOYSA-N	204.189	1.429	5	40	BDBB	
O=[N+]([O-])c1ccccc1CN1CCCNCC1	19389944	UNXJKBXWPLZQFA-UHFFFAOYSA-N	235.287	1.390	5	40	BDBB	
CCOP(=O)(CCC[N+](=O)[O-])OCC	1718956	CIOHICNVMKYVLA-UHFFFAOYSA-N	225.181	1.919	5	40	BDBB	
COc1cc(Cl)cc(C(=O)O)c1[N+](=O)[O-]	2586022	NUKXWIGUCWZDSG-UHFFFAOYSA-N	231.591	1.955	5	40	BDBB	
CCS(=O)(=O)Cc1ccc([N+](=O)[O-])o1	25539329	ZWQWLXYTXRJBEJ-UHFFFAOYSA-N	219.218	1.123	5	40	BDBB	
Nc1nc(Sc2ccccc2[N+](=O)[O-])n[nH]1	219702816	YPKNEHFLNNBXCR-UHFFFAOYSA-N	237.244	1.446	5	40	BDBB	
COc1cc([N+](=O)[O-])sc1C(=O)O	96511077	KSQRMNUWPWMSFH-UHFFFAOYSA-N	203.175	1.363	5	40	BDBB	
COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	95857920	FMXDVBRYDYFVGS-UHFFFAOYSA-N	243.131	1.420	5	40	BDBB	
O=C(O)c1ccc2cccnc2c1[N+](=O)[O-]	26443323	RHPFBOHVBUBKMS-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
CONC(=O)Nc1ccccc1[N+](=O)[O-]	4317431	QPBOEKIIFJJVDJ-UHFFFAOYSA-N	211.177	1.278	5	40	BDBB	
O=[N+]([O-])c1ccc(CCN2CCCNCC2)cc1	35677509	QVWRTKSALBQMRO-UHFFFAOYSA-N	249.314	1.433	5	40	BDBB	
C[C@H]1CNCCN1Cc1cccc([N+](=O)[O-])c1	54374115	ZVHBQJJVMVFXRM-JTQLQIEISA-N	235.287	1.389	5	40	BDBB	
O=[N+]([O-])c1cccnc1Sc1cccc[n+]1[O-]	15906909	ZIRKXGMRHFYXSD-UHFFFAOYSA-N	249.251	1.774	5	40	BDBB	
O=[N+]([O-])c1ccc(C2CCNCC2)nc1	2527202	CFGZKQZNAOGGKB-UHFFFAOYSA-N	207.233	1.457	5	40	BDBB	in-vitro
C[C@H](CC(C)(C)[N+](C)(C)C)[N+](C)(C)C	1636926	IOHZUJOEMGZVHB-LLVKDONJSA-N	202.386	1.956	5	40	BDBB	
Nc1nc([N+](=O)[O-])ccc1Br	71256961	UWHRIBVSCDBFDX-UHFFFAOYSA-N	218.010	1.335	5	40	BDBB	
Nc1ccc([C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	199777567	POJDACRITPTMOB-ZETCQYMHSA-N	235.243	1.171	5	40	BDBB	
COc1cc(-n2ccnc2)c([N+](=O)[O-])cc1OC	20228070	WCOKYCXLULCNQA-UHFFFAOYSA-N	249.226	1.798	5	40	BDBB	
C[N+]1([C@@H]2CC[C@@H]3CC[C@@H]2C3=O)CCCC1	100778042	VLPNZOYKFIEKFZ-SDDRHHMPSA-N	208.325	1.985	5	40	BDBB	
COc1ccc(-n2cnc([N+](=O)[O-])n2)cc1	199733964	KTCVJIZKCAZIDJ-UHFFFAOYSA-N	220.188	1.184	5	40	BDBB	
CN(C)CCOC(=O)c1cccc([N+](=O)[O-])c1	104840	VQDYTUAKUJNACF-UHFFFAOYSA-N	238.243	1.313	5	40	BDBB	
Cn1cc(COc2ccccc2[N+](=O)[O-])cn1	36617330	QUNIQLXOIGZXJD-UHFFFAOYSA-N	233.227	1.907	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(NCc2ccccc2)n1	95098553	YQWSTXQBFYDVSM-UHFFFAOYSA-N	232.243	1.940	5	40	BDBB	
CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	4905508	NPXSIVFVTZJERL-UHFFFAOYSA-N	244.272	1.430	5	40	BDBB	
CCc1nc(Cn2cnc([N+](=O)[O-])n2)cs1	48603234	DUMRYGPLFHFRNG-UHFFFAOYSA-N	239.260	1.254	5	40	BDBB	
NCc1cc(Br)ccc1[N+](=O)[O-]	83357752	MFTURLVFLSJTPF-UHFFFAOYSA-N	231.049	1.816	5	40	BDBB	
COc1cc([N+](=O)[O-])c(CN)cc1F	169800308	ZIOWVFKAGURIHH-UHFFFAOYSA-N	200.169	1.201	5	40	BDBB	
O=c1[nH]c(/C=C/c2ccco2)nc(O)c1[N+](=O)[O-]	8157022	WRDVZIDGMINMIY-ONEGZZNKSA-N	249.182	1.147	5	40	BDBB	
O=C1OCC/C1=C/c1cccc([N+](=O)[O-])c1	1747673	UCUHWEXTZBUIPQ-TWGQIWQCSA-N	219.196	1.925	5	40	BDBB	
O=[N+]([O-])c1ccc([C@H]2OC[C@H](CO)O2)cc1	3074154	IMPGLXDVAYTZLH-UWVGGRQHSA-N	225.200	1.001	5	40	BDBB	
Cc1cc(OCC(=O)O)c([N+](=O)[O-])cc1C	216907958	SWSIMDRWKHVZDR-UHFFFAOYSA-N	225.200	1.675	5	40	BDBB	
COC(=O)c1cc(NC(C)=O)cc([N+](=O)[O-])c1	5378308	VGVYXPPTWWOILX-UHFFFAOYSA-N	238.199	1.340	5	40	BDBB	
Cc1nn(C(=O)c2ccccc2F)cc1[N+](=O)[O-]	77063	RHDAIJYAWAPREM-UHFFFAOYSA-N	249.201	1.927	5	40	BDBB	
CC(=O)N1CCC(=O)Nc2ccc([N+](=O)[O-])cc21	4524618	QCAZREKATBDQDX-UHFFFAOYSA-N	249.226	1.290	5	40	BDBB	
C[N+](C)(C)C[C@H]1CCC[C@@H]1C[N+](C)(C)C	1631103	NVJZHGPRWSNXHO-CHWSQXEVSA-N	214.397	1.815	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CCCNC2)cc1	42782893	OTDTWBRUOXFRKW-SNVBAGLBSA-N	236.271	1.973	5	40	BDBB	
CCOC(=O)COc1ccc(C)nc1[N+](=O)[O-]	7735579	YTIBREUEBXXOTD-UHFFFAOYSA-N	240.215	1.240	5	40	BDBB	
CC(C)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C	8318645	KFRCJAIOZDAQIF-SSDOTTSWSA-N	212.253	1.785	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2ncc(Cl)cn2)c1	84483571	NAPBTEQMSQPVFD-UHFFFAOYSA-N	225.595	1.224	5	40	BDBB	
O=C1CCCc2ccc([N+](=O)[O-])c(O)c21	5813067	AYORUTMZIUZUQO-UHFFFAOYSA-N	207.185	1.819	5	40	BDBB	
Nc1nccc(-c2ccccc2[N+](=O)[O-])n1	15020421	QDSQFKJSHHJGEG-UHFFFAOYSA-N	216.200	1.634	5	40	BDBB	
O=[N+]([O-])c1cc2c(cc1[N+](=O)[O-])OCO2	20428688	KAKKXKBQUBETST-UHFFFAOYSA-N	212.117	1.232	5	40	BDBB	in-vitro
COC(=O)c1ccc([C@H](C)[N+](C)(C)C)o1	506664	IOKDMKGPWZXEHN-QMMMGPOBSA-N	212.269	1.833	5	40	BDBB	
CONC(=O)CCNc1ccccc1[N+](=O)[O-]	58366191	CGVHUEGDTJSVOY-UHFFFAOYSA-N	239.231	1.074	5	40	BDBB	
COC(=O)Cc1cc([N+](=O)[O-])ccc1OC	106679882	YUFWGEOSGATKJZ-UHFFFAOYSA-N	225.200	1.319	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	95836817	UTSIJAUINHNDGM-UHFFFAOYSA-N	239.153	1.660	5	40	BDBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@@H]2C3=O)CCCC1	100778046	VLPNZOYKFIEKFZ-SRVKXCTJSA-N	208.325	1.985	5	40	BDBB	
Cc1nnc(COc2cccnc2[N+](=O)[O-])o1	7549868	KVAUWCSDWOROAE-UHFFFAOYSA-N	236.187	1.260	5	40	BDBB	
Nc1c(O)cc([N+](=O)[O-])cc1Br	68675261	BQFCKIRFZPVBJL-UHFFFAOYSA-N	233.021	1.645	5	40	BDBB	
Cn1c(S)nnc1-c1ccccc1[N+](=O)[O-]	85392125	GQDNSQHPDKFEQQ-UHFFFAOYSA-N	236.256	1.679	5	40	BDBB	
O=C(O)c1cnc(Cl)c([N+](=O)[O-])c1Cl	40564698	OKCDFXJMQKCBKT-UHFFFAOYSA-N	236.998	1.995	5	40	BDBB	
Cc1cc(C(=O)O)nn1-c1ccccc1[N+](=O)[O-]	47957490	IJGCWRFYKHNFBW-UHFFFAOYSA-N	247.210	1.787	5	40	BDBB	
Cn1cc(C=O)c(-c2ccc([N+](=O)[O-])cc2)n1	36894416	BKLCGAXUHOFAOQ-UHFFFAOYSA-N	231.211	1.808	5	40	BDBB	in-vitro
Cc1cn([C@@H](C)CC(=O)O)nc1[N+](=O)[O-]	69760169	MRNATYICNGDOQT-LURJTMIESA-N	213.193	1.135	5	40	BDBB	
COC(=O)c1[nH]c2ccccc2c1[N+](=O)[O-]	96345767	NAYCDJSBGXJJME-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	
CONC(=O)c1cccc(C)c1[N+](=O)[O-]	25820934	JNXMFUPSXVQWHA-UHFFFAOYSA-N	210.189	1.194	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(N)c1Br	238359359	AXSFASXZURDNPF-UHFFFAOYSA-N	247.048	1.948	5	40	BDBB	
NC(=O)/C(=C\c1ccc([N+](=O)[O-])o1)c1ccco1	1501	LYAHJFZLDZDIOH-VURMDHGXSA-N	248.194	1.807	5	40	BDBB	in-man
Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)n1	2795321	ACWSWBDLXQFIMG-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
C[C@H]1CNCCN1c1ccccc1[N+](=O)[O-]	54374873	YUYFTFHUUJEVSV-VIFPVBQESA-N	221.260	1.393	5	40	BDBB	
O=C(CNc1ccccc1[N+](=O)[O-])NC1CC1	7366654	CMJQBMNXNRPADM-UHFFFAOYSA-N	235.243	1.285	5	40	BDBB	
O=C(O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1	335375	QDXCLKKKDQFNQR-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
O=[N+]([O-])c1cccc(C2N3CCCCN23)c1	19169002	GDEXTJXCOGKQBM-UHFFFAOYSA-N	219.244	1.920	5	40	BDBB	
C[C@@H](N)c1n[nH]c(-c2cc([N+](=O)[O-])ccc2O)n1	95534679	UXGXQBLEVNVSHC-RXMQYKEDSA-N	249.230	1.105	5	40	BDBB	
C[C@@H](O)[C@@H](C)Sc1ncccc1[N+](=O)[O-]	78582361	WNZURCNLMNEWTC-RNFRBKRXSA-N	228.273	1.851	5	40	BDBB	
CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1N	12738384	HRHKCKTWQFYWOD-UHFFFAOYSA-N	224.216	1.742	5	40	BDBB	
CN1CCn2c(nc3cc([N+](=O)[O-])ccc32)C1	13734546	JIAFYPMZZPUMIC-UHFFFAOYSA-N	232.243	1.390	5	40	BDBB	
O=[N+]([O-])c1cnn(CCC(F)(F)F)c1	71791960	YXXWAAYLXUWEQB-UHFFFAOYSA-N	209.127	1.744	5	40	BDBB	
O=[N+]([O-])c1ccc(CN(CCO)C2CC2)cc1	48347386	ZPDXZCGATGXFEI-UHFFFAOYSA-N	236.271	1.552	5	40	BDBB	
Cc1cc(Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1	199803988	GEERXOVRUNTOPB-UHFFFAOYSA-N	245.238	1.577	5	40	BDBB	
CCN(CC(=O)O)c1cccc([N+](=O)[O-])c1	38017293	DESUXXRJIJHRKL-UHFFFAOYSA-N	224.216	1.506	5	40	BDBB	
CC(C)(C)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	267255	ABGBFKDLXJWKGF-UHFFFAOYSA-N	248.238	1.989	5	40	BDBB	
O=C(O)C[C@@H](C[N+](=O)[O-])c1ccc(F)cc1	57517556	CRZUBFCVOITKNW-QMMMGPOBSA-N	227.191	1.661	5	40	BDBB	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)O	4294416	BIUAIXZQSATZOF-UHFFFAOYSA-N	227.220	1.324	5	40	BDBB	
CC1=CC=C[C@@H](Oc2ncnc(N)c2[N+](=O)[O-])C1	26802686	GCBUFHIXAUTWDG-MRVPVSSYSA-N	248.242	1.621	5	40	BDBB	
Cn1nccc1-c1ccc([N+](=O)[O-])cc1	71789017	RYDRFLGHCCWBPA-UHFFFAOYSA-N	203.201	1.995	5	40	BDBB	
CCOc1cc([N+](=O)[O-])cc(C=O)c1O	49997101	NGSRGRKMEWROLO-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	
O=[N+]([O-])c1ccc([C@@H]2OC[C@H](CO)O2)cc1	3074155	IMPGLXDVAYTZLH-VHSXEESVSA-N	225.200	1.001	5	40	BDBB	
COc1ccc(-c2nnc(C)o2)cc1[N+](=O)[O-]	12427709	XGPUCKDLVOAHKQ-UHFFFAOYSA-N	235.199	1.962	5	40	BDBB	
Cc1nc2cc([N+](=O)[O-])ccc2n1CCO	236893	CHMVSMUFSDELJB-UHFFFAOYSA-N	221.216	1.245	5	40	BDBB	
Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)O	26420210	KGXLBFZRGWRWNN-UHFFFAOYSA-N	247.210	1.694	5	40	BDBB	
CC(C)N(CCO)Cc1ccc([N+](=O)[O-])cc1	49802013	GKXKMVCWMFZEPU-UHFFFAOYSA-N	238.287	1.798	5	40	BDBB	
COCCCNc1nn(C(C)C)cc1[N+](=O)[O-]	95098548	MMYHGGQLOSAITP-UHFFFAOYSA-N	242.279	1.821	5	40	BDBB	
COc1cc(Br)cc(N)c1[N+](=O)[O-]	575719960	BSFBJLZPRJXDBS-UHFFFAOYSA-N	247.048	1.948	5	40	BDBB	
COc1cccc([N+](=O)[O-])c1CC(=O)O	14982955	WWZXCZMODVFKSK-UHFFFAOYSA-N	211.173	1.231	5	40	BDBB	in-vitro
CC[N+](C)(CC)C[C@@H]1C[C@H](C)OC1=O	1758019	NPFQMTANNZXFQC-UWVGGRQHSA-N	200.302	1.424	5	40	BDBB	
O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)O1	8782363	FFRQYGNUJIOICX-SECBINFHSA-N	225.225	1.883	5	40	BDBB	
OC12CC[N+](c3ccccc3)(CC1)CC2	68604028	OQETUXOTLDPDGS-UHFFFAOYSA-N	204.293	1.923	5	40	BDBB	
NC(=O)c1cccc([N+](=O)[O-])c1Cl	39169123	YKTHIYUTPYYKGA-UHFFFAOYSA-N	200.581	1.347	5	40	BDBB	
Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(N)=O	72190852	GCSHITZIDDQFHW-UHFFFAOYSA-N	246.226	1.188	5	40	BDBB	
Cc1nc(Cc2ccccc2[N+](=O)[O-])no1	96096199	NRPDWSIWNPLTSR-UHFFFAOYSA-N	219.200	1.877	5	40	BDBB	
O=[N+]([O-])[C@H]1CC=CN[C@H]1c1ccccc1	1700519	XYBPOQOEIHCJLO-QWRGUYRKSA-N	204.229	1.880	5	40	BDBB	
COc1cc(N)c2ncsc2c1[N+](=O)[O-]	4774242	YSWKJZFTQTYGLH-UHFFFAOYSA-N	225.229	1.795	5	40	BDBB	
COc1nn(CC(F)F)cc1[N+](=O)[O-]	72334120	MKXDZOYZLLAYFG-UHFFFAOYSA-N	207.136	1.065	5	40	BDBB	
CC[N+](C)(CC)C[C@H]1C[C@H](C)OC1=O	5339816	NPFQMTANNZXFQC-VHSXEESVSA-N	200.302	1.424	5	40	BDBB	
O=c1c([N+](=O)[O-])c(Cl)nc2ccccn12	973717	HRMUOPNLPLATOR-UHFFFAOYSA-N	225.591	1.256	5	40	BDBB	in-vitro
N[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1	50244067	XXAPXHVVMXESII-MRVPVSSYSA-N	225.223	1.271	5	40	BDBB	
COC[C@](C)(N)CNc1ccccc1[N+](=O)[O-]	72284422	MEZBKUXJXJTUFG-LLVKDONJSA-N	239.275	1.371	5	40	BDBB	
C/C=C(\C)C(=O)OC[C@@H]1CC[N+](C)([O-])C1	1735121	VCASXRNIMTULLQ-IREVPGTJSA-N	213.277	1.460	5	40	BDBB	
O=C(O)C[C@H](C(=O)O)c1ccccc1[N+](=O)[O-]	4697673	REWALNXOIYDJFF-ZETCQYMHSA-N	239.183	1.238	5	40	BDBB	in-vitro
C[C@@H](c1nc(C2CC2)no1)n1cc([N+](=O)[O-])cn1	97048021	RSSXPFITRVJAHN-LURJTMIESA-N	249.230	1.661	5	40	BDBB	
C[C@@H](Cn1ncc([N+](=O)[O-])c1C(F)F)C(=O)O	408716460	NHIBRPRWBLLOGA-BYPYZUCNSA-N	249.173	1.450	5	40	BDBB	
Cc1nn(C)c(Oc2cccnc2)c1[N+](=O)[O-]	78727565	LMCGOWGCTGIZAF-UHFFFAOYSA-N	234.215	1.824	5	40	BDBB	
C[C@@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C=O	4143806	BYARTMJTIRRZNS-SSDOTTSWSA-N	249.226	1.288	5	40	BDBB	
C[C@@H](CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	345369	USRRVEPWXBCMKZ-ZETCQYMHSA-N	237.211	1.888	5	40	BDBB	
CCOc1cc([N+](=O)[O-])c(N)cc1F	4452520	FLTNORJDSFQOLQ-UHFFFAOYSA-N	200.169	1.715	5	40	BDBB	
NC(=O)c1ncc(C(F)(F)F)cc1[N+](=O)[O-]	218273098	KYYLNFYKYIDHFG-UHFFFAOYSA-N	235.121	1.108	5	40	BDBB	
O=[N+]([O-])c1cc(CO)ccc1OCC1CC1	20468379	GGPFYOMQBVHQIE-UHFFFAOYSA-N	223.228	1.876	5	40	BDBB	
Cc1c([N+](=O)[O-])c(C(F)F)nn1[C@@H](C)C(=O)O	408716312	LHMZGKXXLKYCAC-BYPYZUCNSA-N	249.173	1.683	5	40	BDBB	
Cc1c([N+](=O)[O-])cc[n+]([O-])c1Br	3847025	CMFAWFOAOYIDEY-UHFFFAOYSA-N	233.021	1.299	5	40	BDBB	
Nc1ccc(CCC(=O)O)c([N+](=O)[O-])c1	3845786	RSRNSLSJZOFVNV-UHFFFAOYSA-N	210.189	1.194	5	40	BDBB	biogenic
O=C(O)c1cc([N+](=O)[O-])cc(Br)n1	71261633	YQBRMUXRAFVSPK-UHFFFAOYSA-N	247.004	1.451	5	40	BDBB	
Cc1cn(CC(F)(F)F)nc1[N+](=O)[O-]	72334108	ISQYAAMEDUWHSP-UHFFFAOYSA-N	209.127	1.662	5	40	BDBB	
O=C1CCC[C@@H]1[C@@H](C[N+](=O)[O-])C(F)(F)F	43464385	SIEJXCPEXVPLAQ-PHDIDXHHSA-N	225.166	1.811	5	40	BDBB	
O=Cc1coc2c([N+](=O)[O-])cccc2c1=O	85210653	PBTHIVFXYVXJAP-UHFFFAOYSA-N	219.152	1.514	5	40	BDBB	
C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1	15443289	VOCWNIASSFCCMH-QMMMGPOBSA-N	239.250	1.532	5	40	BDBB	
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2C3=O)CCCC1	393426	VLPNZOYKFIEKFZ-GRYCIOLGSA-N	208.325	1.985	5	40	BDBB	
Cc1nn(CC(F)F)c(C)c1[N+](=O)[O-]	12395596	CKZNARJMWZQIPS-UHFFFAOYSA-N	205.164	1.673	5	40	BDBB	
Cc1ncsc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	79108879	NWYPTVQDUYRLKP-PHDIDXHHSA-N	227.245	1.055	5	40	BDBB	
COC(=O)/C=C/c1ccc(OC)c([N+](=O)[O-])c1	113651554	VWAFUFNJBJNZLH-GQCTYLIASA-N	237.211	1.790	5	40	BDBB	
Nc1nc(=S)n2c(n1)nc(O)c1ccccc12	62711112	YQLNFNSHSFCYNN-UHFFFAOYSA-N	245.267	1.295	5	40	BDBB	
N=C(NO)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	228952143	BDCUIGAAVJKHRG-UHFFFAOYSA-N	249.148	1.918	5	40	BDBB	
Nc1[nH]nc(C2CCCCC2)c1[N+](=O)[O-]	96527762	DVVNKQDSBZLEGJ-UHFFFAOYSA-N	210.237	1.948	5	40	BDBB	
Cc1n[nH]c2oc(=O)c([N+](=O)[O-])c(C)c12	5687141	JKHKLFLRDZLKSQ-UHFFFAOYSA-N	209.161	1.041	5	40	BDBB	
Nn1cnc2cc3ccccc3cc2c1=O	1106	CZXUQBVMAUWSBX-UHFFFAOYSA-N	211.224	1.264	5	40	BDBB	
O=[N+]([O-])c1c(N2CCC2)nc2ccccn12	12629090	HMEYDQMWPXINOK-UHFFFAOYSA-N	218.216	1.453	5	40	BDBB	
NC(=O)c1ccc2cccc([N+](=O)[O-])c2n1	45895575	GXTOIZYHYAGDQE-UHFFFAOYSA-N	217.184	1.242	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(Br)n1	39416417	BHFRSRAZJCLLDY-UHFFFAOYSA-N	205.999	1.091	5	40	BDBB	in-vitro
O=Cc1ccc(N2CCCC2=O)cc1[N+](=O)[O-]	199761435	FUCMZFOCACFURM-UHFFFAOYSA-N	234.211	1.534	5	40	BDBB	
O=[N+]([O-])C[C@H]1CCCC2(C1)OCCO2	144780495	ABJZYRJMWWASNF-QMMMGPOBSA-N	201.222	1.196	5	40	BDBB	
O=[N+]([O-])c1ccc(CNc2ncccn2)cc1	37668684	ZUYLAIBQWHNNGZ-UHFFFAOYSA-N	230.227	1.997	5	40	BDBB	
Cc1c(-c2nnc(N)o2)cccc1[N+](=O)[O-]	19274414	SSXIWANRFKVZHK-UHFFFAOYSA-N	220.188	1.535	5	40	BDBB	
CN1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1	61997472	KJICJWSSVFRTPO-UHFFFAOYSA-N	237.259	1.463	5	40	BDBB	
C[N+]12CCC[C@@H]1[C@@H]1C[C@@H](C2)c2cccc(=O)n2C1	100767695	PDBKVEXJATVUPI-KZZCMMSASA-N	245.346	1.574	5	40	BDBB	
CCS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1C	96532777	NKKDRDPZUCXSPL-UHFFFAOYSA-N	243.284	1.838	5	40	BDBB	
CN(CCO)C(=O)Nc1cccc([N+](=O)[O-])c1	30947832	OQTMBINYBGITRE-UHFFFAOYSA-N	239.231	1.051	5	40	BDBB	
Cc1cc([N+](=O)[O-])n(CC(=O)c2ccccc2)n1	54926	JPJJWXAYDSYUFL-UHFFFAOYSA-N	245.238	1.983	5	40	BDBB	
Cc1cc(C(=O)NC2CC2)ccc1[N+](=O)[O-]	6271052	WKRBNESJVINTBB-UHFFFAOYSA-N	220.228	1.795	5	40	BDBB	
COC(=O)CCSc1ccc([N+](=O)[O-])cn1	44676159	XJNUQALOFBVOJH-UHFFFAOYSA-N	242.256	1.645	5	40	BDBB	
O=C(O)c1conc1-c1ccc([N+](=O)[O-])cc1	167942070	LEGJOBYBYBCNHH-UHFFFAOYSA-N	234.167	1.948	5	40	BDBB	
Cc1cc2ncn3c4ccccc4nc3n2n1	545761	LNHGKPMZABILOA-UHFFFAOYSA-N	223.239	1.839	5	40	BDBB	
CCOc1cccc([N+](=O)[O-])c1[N+](=O)[O-]	4127811	OTANELYCMMCQIT-UHFFFAOYSA-N	212.161	1.902	5	40	BDBB	
O=[N+]([O-])c1ccc(OCC2OCCO2)cc1	15041969	VXFGUJLPTYOQKS-UHFFFAOYSA-N	225.200	1.347	5	40	BDBB	
C[C@H]1Cc2cc3c(cc2C[N+]1(C)C)OCO3	1667105	WSYSROLVWRTJAU-VIFPVBQESA-N	220.292	1.936	5	40	BDBB	
Cc1c(C(=O)O)cnn1-c1ccc([N+](=O)[O-])cc1	3161262	SEVVEGUMNVXGLA-UHFFFAOYSA-N	247.210	1.787	5	40	BDBB	
CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])cn1	139218353	SFNKVVVWEZXQHW-UHFFFAOYSA-N	240.219	1.732	5	40	BDBB	
COC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2	149839308	WNLQVFDKMDHWGP-UHFFFAOYSA-N	239.183	1.039	5	40	BDBB	
Nc1ccc2c(c1[N+](=O)[O-])N1CCC2CC1	100717389	XJHNKTFBHRTLJC-UHFFFAOYSA-N	219.244	1.874	5	40	BDBB	
O=[N+]([O-])c1cn(Cc2nnsc2Cl)cn1	26123931	OCEUGNSIEXORQS-UHFFFAOYSA-N	245.651	1.345	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1Cn1ccnc1	70163093	SRSJHGSKUPGENW-UHFFFAOYSA-N	233.227	1.848	5	40	BDBB	
NNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	199543788	KJXCUMSMHIDHAR-UHFFFAOYSA-N	235.165	1.577	5	40	BDBB	
O=C(O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	51952500	VDGWJLCMLXSEPW-UHFFFAOYSA-N	220.184	1.703	5	40	BDBB	in-vitro
O=C1CC[C@H]([N+](=O)[O-])[C@@H]([C@H]2CC=CCC2)N1	1046042	CGLPKGVDOFMFCQ-ATZCPNFKSA-N	224.260	1.267	5	40	BDBB	
CCN1C(=O)Cc2cc([N+](=O)[O-])ccc21	34477554	JXVDFCIQUFWRBJ-UHFFFAOYSA-N	206.201	1.504	5	40	BDBB	
CC(=O)Nc1cc([N+](=O)[O-])cc(C)c1O	35225228	ZHAGCIGDVFNQSW-UHFFFAOYSA-N	210.189	1.567	5	40	BDBB	
COc1cc(Cl)c([N+](=O)[O-])cc1N	90527194	VJLQAJYDEDLSGO-UHFFFAOYSA-N	202.597	1.839	5	40	BDBB	
Nc1ccc2c(=O)c3ccc(N)cc3[nH]c2c1	6622608	KKKYRANCRKCGDB-UHFFFAOYSA-N	225.251	1.846	5	40	BDBB	in-vitro
CS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	19735965	OPQGIRJDDUJUQB-UHFFFAOYSA-N	235.648	1.652	5	40	BDBB	
C[N+]1(C)CC[C@@H](O)[C@H](c2ccccc2)C1	1593055	JDKZWVSCQZMZQO-QWHCGFSZSA-N	206.309	1.611	5	40	BDBB	
CCCCN(C)c1ncnc(N)c1[N+](=O)[O-]	3912621	APWMYFHITREBSU-UHFFFAOYSA-N	225.252	1.203	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(-c2nc3ccccc3[nH]2)n1	15943768	DIRQEWXMQUFGGS-UHFFFAOYSA-N	243.226	1.872	5	40	BDBB	
Nc1cc(Cl)c(NCCO)cc1[N+](=O)[O-]	38614408	QNJWQAYYVNKOKR-UHFFFAOYSA-N	231.639	1.235	5	40	BDBB	
Nc1nc2c3cccc4cccc(c(=O)n2n1)c43	361149	KDPOKPRIXXYGCF-UHFFFAOYSA-N	236.234	1.416	5	40	BDBB	
CCCCCC[N+]1(CCO)CCOCC1	3014629	XPHUTTYPQUCAPN-UHFFFAOYSA-N	216.345	1.406	5	40	BDBB	
O=C(Nc1cc[nH]n1)c1csc([N+](=O)[O-])c1	49449737	YSXPYWZCYWXSSF-UHFFFAOYSA-N	238.228	1.632	5	40	BDBB	
c1ccc2c(c1)ccc1c2nnc2nncn21	39368096	QXFUYNNAVNOVHM-UHFFFAOYSA-N	221.223	1.826	5	40	BDBB	
C[C@H]1Oc2cccc([N+](=O)[O-])c2NC1=O	38885090	KJLTZKFWTJOQFY-RXMQYKEDSA-N	208.173	1.314	5	40	BDBB	
C[C@@]1([N+](=O)[O-])C[Si](C)(C)C[C@]1(C)[N+](=O)[O-]	195812053	DSWIDAWDEVKGAV-OCAPTIKFSA-N	232.312	1.779	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(OCC(=N)N)c1	58077872	YPAKWFYCKCRMIK-UHFFFAOYSA-N	209.205	1.218	5	40	BDBB	
O=[N+]([O-])c1cc(OCC(F)F)ccc1O	169800305	WVNWATKHYZWJJY-UHFFFAOYSA-N	219.143	1.944	5	40	BDBB	
CCOC(=O)C(C)(C)c1[nH]cnc1[N+](=O)[O-]	13207653	HHASGHRRQJESIQ-UHFFFAOYSA-N	227.220	1.159	5	40	BDBB	
CC[N+]1([C@H]2CC[C@@H]3CC[C@@H]2[C@@H]3O)CCOCC1	104136600	RCYBRYYJLMVFBK-XDQVBPFNSA-N	240.367	1.403	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1N1CCNCC1	33711885	DGVRAWOHHPXSAQ-UHFFFAOYSA-N	237.259	1.013	5	40	BDBB	
COC(=O)C[C@H](C[N+](=O)[O-])c1ccccc1	38997709	ZJFQGMLHRHGKEV-SNVBAGLBSA-N	223.228	1.610	5	40	BDBB	in-vitro
O=C(O)/C=C/c1ccc(O)c([N+](=O)[O-])c1	2504916	HCGMDTLRKLJPHE-DUXPYHPUSA-N	209.157	1.398	5	40	BDBB	in-vitro
O=C(O)COc1ccc([N+](=O)[O-])c(F)c1	35359202	ITHOGDVBQQBPIZ-UHFFFAOYSA-N	215.136	1.197	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccc(S(=O)(=O)C(F)F)c1	95883666	QKNYWOHIGKHWHC-UHFFFAOYSA-N	237.183	1.591	5	40	BDBB	
NCCS[C@@H](O)c1ccc([N+](=O)[O-])cc1	3040752	BETQUCVLOBNDLR-SECBINFHSA-N	228.273	1.278	5	40	BDBB	
O=[N+]([O-])c1cccc([S@](=O)C(F)F)c1	28294755	VVMCOWPQRKCRSS-CQSZACIVSA-N	221.184	1.925	5	40	BDBB	
O=C(O)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	37222482	QYOFKUAUGXLRSW-UHFFFAOYSA-N	234.167	1.343	5	40	BDBB	
O=[N+]([O-])c1cccnc1N1CCN2CCC[C@H]2C1	247342508	SSVYWQCORLQPLT-JTQLQIEISA-N	248.286	1.274	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])sc1N	15020441	OVLUSSXPOANNKZ-UHFFFAOYSA-N	202.191	1.025	5	40	BDBB	
O=[N+]([O-])c1c(O)ncc(Br)c1O	5491119	PUAJVHSNEHQMNU-UHFFFAOYSA-N	234.993	1.164	5	40	BDBB	
CCOC(=O)Cc1ccc(N)cc1[N+](=O)[O-]	3845254	IECIICKYUQNXOZ-UHFFFAOYSA-N	224.216	1.283	5	40	BDBB	biogenic
O=[N+]([O-])c1ccc(C2=CCO2)c([N+](=O)[O-])c1	44563940	WSSRQPNYGZPCHD-UHFFFAOYSA-N	222.156	1.874	5	40	BDBB	
O=C1CCOc2ccc(O)c([N+](=O)[O-])c21	238663232	XYJWDQCZVCWITO-UHFFFAOYSA-N	209.157	1.266	5	40	BDBB	
NCCCOc1ccc([N+](=O)[O-])cc1Cl	1713200	GFKFSPCROXSLTN-UHFFFAOYSA-N	230.651	1.976	5	40	BDBB	
CN(N=O)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	6451967	JFMHTKDWZQAYAF-UHFFFAOYSA-N	226.148	1.621	5	40	BDBB	
CC(=O)Nc1ccc(C=O)c(O)c1[N+](=O)[O-]	96007014	RQZWUKQLFGUVON-UHFFFAOYSA-N	224.172	1.071	5	40	BDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1	5344473	JWXPYNYNEUYKOW-SNVBAGLBSA-N	235.243	1.285	5	40	BDBB	in-vitro
O=C(OC1CSC1)c1ccccc1[N+](=O)[O-]	97416	MAIJLNFBHYUTKN-UHFFFAOYSA-N	239.252	1.867	5	40	BDBB	
CN(CC(C)(C)O)c1ncccc1[N+](=O)[O-]	78727689	QRAHMUNZGCYUCR-UHFFFAOYSA-N	225.248	1.197	5	40	BDBB	
COC(=O)c1cc(C)cc([N+](=O)[O-])c1C	1686231	QXYKFVOZYSRLAE-UHFFFAOYSA-N	209.201	1.998	5	40	BDBB	
Cc1ccc(NC(=O)c2nc[nH]c2[N+](=O)[O-])cc1	5800773	WIWFXBMFUPVUOD-UHFFFAOYSA-N	246.226	1.879	5	40	BDBB	
O=[N+]([O-])c1cccc(Cn2ccnn2)c1	39298857	IZVYBOAHMLOLBO-UHFFFAOYSA-N	204.189	1.235	5	40	BDBB	
CNC(=O)COc1c(C)ccc([N+](=O)[O-])c1C	31459372	TVDJZAMWQHZAMN-UHFFFAOYSA-N	238.243	1.336	5	40	BDBB	
CCc1nc(N)nc(Cl)c1[N+](=O)[O-]	74942529	BEBNUNRPHUKYIN-UHFFFAOYSA-N	202.601	1.183	5	40	BDBB	
C[N+](C)(C)C[C@@H]1Cc2ccccc2C1=O	1638163	RIHHCDGMNDWXNT-NSHDSACASA-N	204.293	1.748	5	40	BDBB	
C[N+]1(Cc2nc3ccccc3[nH]2)CCOCC1	12523751	BMDZFSHGMCKUKW-UHFFFAOYSA-N	232.307	1.540	5	40	BDBB	
CC12C[C@]3(C)C[C@](C)(C1)C[N+](C)(C3)[C@@H]2O	13302689	KQJKMIVYPMDOFN-BFKVFCTQSA-N	210.341	1.981	5	40	BDBB	
O=C(O)C12C[C@@H]3C[C@@H](C1)CC([N+](=O)[O-])(C3)C2	100144944	VSRRAGQUKPLYMV-GHQHZXSUSA-N	225.244	1.687	5	40	BDBB	
CCC(=O)Nc1cccc([N+](=O)[O-])c1OC	1739842	NBQIMBKEDNFJBE-UHFFFAOYSA-N	224.216	1.952	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])c(SCCO)s1	2142983	FMJZSKDZSDSXRG-UHFFFAOYSA-N	247.297	1.943	5	40	BDBB	
O=[N+]([O-])c1cccc([C@@H]2NNC(=S)S2)c1	114506	GZGSKAPWVBYMNY-SSDOTTSWSA-N	241.297	1.719	5	40	BDBB	
O=c1ccc(-c2cccc([N+](=O)[O-])c2)n[nH]1	26420362	AFTJTAIZFQQYIN-UHFFFAOYSA-N	217.184	1.345	5	40	BDBB	in-vitro
COCCOc1ccc(F)cc1[N+](=O)[O-]	67800517	LDXTVXADCWVQIW-UHFFFAOYSA-N	215.180	1.759	5	40	BDBB	in-vitro
O=[N+]([O-])c1c(Br)cccc1CO	95930451	CGVQNXRJFYFTDX-UHFFFAOYSA-N	232.033	1.850	5	40	BDBB	
C[C@H](CC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	345371	USRRVEPWXBCMKZ-SSDOTTSWSA-N	237.211	1.888	5	40	BDBB	
CC[C@@H]1ON=C(c2ccccc2)[C@H]1[N+](=O)[O-]	4016978	RHJVAXCZJRZNJS-ONGXEEELSA-N	220.228	1.845	5	40	BDBB	
CC(C)S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	39320744	XJZMRQMOTCXRJD-UHFFFAOYSA-N	247.247	1.916	5	40	BDBB	
O=C(O)c1ncc([N+](=O)[O-])cc1Br	238710160	BDVXHFICIVVMCF-UHFFFAOYSA-N	247.004	1.451	5	40	BDBB	
Nc1cc(-c2ccccc2[N+](=O)[O-])no1	11851099	ATHKBNBCSNXZHX-UHFFFAOYSA-N	205.173	1.832	5	40	BDBB	
COc1ccc(-c2n[nH]cc2C=O)cc1[N+](=O)[O-]	40457356	XHQWKDOCRPMOBJ-UHFFFAOYSA-N	247.210	1.806	5	40	BDBB	
CC1([N+](=O)[O-])COC([C@@H]2CC=CCC2)OC1	1679843	PNAZXIPKYFXJFX-KPPDAEKUSA-N	227.260	1.751	5	40	BDBB	
CC(C)Oc1ccc(CN)cc1[N+](=O)[O-]	34960525	XMKJILOOKJJDSY-UHFFFAOYSA-N	210.233	1.841	5	40	BDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	88613690	YOKQNIITLXOXNG-UHFFFAOYSA-N	241.677	1.713	5	40	BDBB	
NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1	20521681	MCFRXOSUIPWFME-UHFFFAOYSA-N	235.287	1.518	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1OC1CCNCC1	51865649	HCOZYHJLNGCIID-UHFFFAOYSA-N	240.234	1.865	5	40	BDBB	
CC(C)(C(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408716415	MSPNOUBRDFCKQF-UHFFFAOYSA-N	249.173	1.549	5	40	BDBB	
N[C@@H]1COc2c(cc(Cl)cc2[N+](=O)[O-])C1	62720086	BDODHZJYDQSNBY-ZETCQYMHSA-N	228.635	1.510	5	40	BDBB	
COC(=O)c1cc(O)c(C)c([N+](=O)[O-])c1	34569111	RVLATZXOTOHQEW-UHFFFAOYSA-N	211.173	1.395	5	40	BDBB	in-vitro
Cc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-]	2734121	KIJHSPOEDDMVNL-UHFFFAOYSA-N	220.228	1.795	5	40	BDBB	
O=c1c([N+](=O)[O-])cccn1Cc1ccccc1	72280380	TUQKRKGETNUWGN-UHFFFAOYSA-N	230.223	1.805	5	40	BDBB	
Nc1cc([N+](=O)[O-])c(F)cc1C(=O)O	39084857	WVJVJQGXIAONSG-UHFFFAOYSA-N	200.125	1.014	5	40	BDBB	
Nc1c([N+](=O)[O-])ccc(F)c1C(=O)O	59080693	YXZBECCLWLWBKE-UHFFFAOYSA-N	200.125	1.014	5	40	BDBB	
CC(C)(C)Nc1ncc([N+](=O)[O-])c(N)n1	62022631	MFSWHSQGZPUBOT-UHFFFAOYSA-N	211.225	1.177	5	40	BDBB	
Nc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1	20153833	DQSHNMWDEQUSHK-UHFFFAOYSA-N	204.189	1.567	5	40	BDBB	
CC(C)Oc1cc(O)c(C=O)cc1[N+](=O)[O-]	50075677	YXLXQOFQVZPJMK-UHFFFAOYSA-N	225.200	1.900	5	40	BDBB	
O=[N+]([O-])c1ccc(C2=NCC=CCO2)cc1	1717366	ZACOHSSINHMROS-UHFFFAOYSA-N	218.212	1.928	5	40	BDBB	
O=C(O)c1nccc2c([N+](=O)[O-])cccc12	1727030	GKSMRXCKXZEYGU-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
Cc1nc(=N)oc2c1c(=O)n(C)c1ccccc21	3846458	KECFSUNKCVTFNS-UHFFFAOYSA-N	241.250	1.468	5	40	BDBB	
C[C@@H](C(=O)O)n1ncc([N+](=O)[O-])c1C(F)F	408716970	UCUJNVATESPLIG-VKHMYHEASA-N	235.146	1.375	5	40	BDBB	
COC(=O)c1cc(N)c([N+](=O)[O-])cc1C	39084189	CIOLBXFIRSNSRA-UHFFFAOYSA-N	210.189	1.272	5	40	BDBB	
O=[N+]([O-])c1ccc(OCC2CCNCC2)cc1	42782895	RMYAXTCHVAOLAN-UHFFFAOYSA-N	236.271	1.973	5	40	BDBB	
CC(=O)[C@H]1C[C@@](C)([N+](=O)[O-])CC[C@@]1(C)O	5712859	AMVMHQODMGEQGU-KXUCPTDWSA-N	215.249	1.162	5	40	BDBB	
C[C@H](N)c1n[nH]c(-c2ccccc2[N+](=O)[O-])n1	95534642	HBRCLAKFLVTKRV-LURJTMIESA-N	233.231	1.400	5	40	BDBB	
CCc1cc(O)c([N+](=O)[O-])cc1[N+](=O)[O-]	1705966	LAQLVAJTFUCYLF-UHFFFAOYSA-N	212.161	1.771	5	40	BDBB	
C[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)C1	48543901	DQRDROFKBAQJDH-ZETCQYMHSA-N	237.263	1.203	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1-n1cnnc1	70461683	PBBGLFJAORUQPK-UHFFFAOYSA-N	220.188	1.184	5	40	BDBB	
CCCNc1ccc([N+](=O)[O-])cc1-n1cnnc1	216750731	HNZBBASHLAROJH-UHFFFAOYSA-N	247.258	1.997	5	40	BDBB	
CCOC(=O)N(C)c1cccnc1[N+](=O)[O-]	252489317	JOCGYMBOUZXMNO-UHFFFAOYSA-N	225.204	1.583	5	40	BDBB	
O=C1CCc2cc([N+](=O)[O-])c(F)cc2N1	32625169	KKIGZYNYRMWCLY-UHFFFAOYSA-N	210.164	1.619	5	40	BDBB	in-vitro
c1ccc2c(c1)[nH]c1nc3nonc3nc12	51507	OJANGVKWCFHNAW-UHFFFAOYSA-N	211.184	1.647	5	40	BDBB	
O=C(O)c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2690352	QBIQLTOUDBEJCV-UHFFFAOYSA-N	246.562	1.855	5	40	BDBB	
COc1c(C)cc([N+](=O)[O-])c(C)c1C(N)=O	57339753	BYZVDAOWCUMHNR-UHFFFAOYSA-N	224.216	1.319	5	40	BDBB	
[O-][n+]1c(O)nnc2ccc3ccccc3c21	225622131	BXGGWEIECBQBAD-UHFFFAOYSA-N	213.196	1.122	5	40	BDBB	
Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-]	113691525	CYMDJHMDVUTLRA-UHFFFAOYSA-N	222.244	1.740	5	40	BDBB	in-vitro
CC(=O)NCCOc1ccc([N+](=O)[O-])cc1	1750817	RCBHQLKRWYVVIN-UHFFFAOYSA-N	224.216	1.110	5	40	BDBB	
CCOC(=O)[C@H]1CCC[N+]2(C)CCCC[C@@H]12	4023129	AYAOGAWAISPJGQ-VHBIQUBJSA-N	226.340	1.959	5	40	BDBB	
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCC2)n1	4828744	WMVLUXVXNIFDPD-UHFFFAOYSA-N	242.666	1.947	5	40	BDBB	
CCN1CC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	189883352	YGSWEFAPOPNQPA-LLVKDONJSA-N	235.243	1.045	5	40	BDBB	
N[C@@H](C(=O)O)c1cc(Cl)ccc1[N+](=O)[O-]	199810619	PBNLRCBRYBWKKX-SSDOTTSWSA-N	230.607	1.333	5	40	BDBB	
O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2O)n1	40517239	DSPUTYZFIRGJDL-JGVFFNPUSA-N	211.221	1.267	5	40	BDBB	
CCOC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1	34132958	MFBLAYNELIBQML-QMMMGPOBSA-N	239.227	1.925	5	40	BDBB	
COCc1n[nH]c(-c2ccc([N+](=O)[O-])cc2)n1	40175788	BQFZYJDTTLOICJ-UHFFFAOYSA-N	234.215	1.526	5	40	BDBB	
Cc1cc2c(c([N+](=O)[O-])c1)NC(=O)CC2	72242360	MANRCDQUVPJCLY-UHFFFAOYSA-N	206.201	1.788	5	40	BDBB	
CN(C)C(=S)c1cccc([N+](=O)[O-])c1	3173120	GBMJUCMAUOZPSD-UHFFFAOYSA-N	210.258	1.832	5	40	BDBB	
O=C1CCCN1CNc1ccc([N+](=O)[O-])cc1	4859458	CZQJMBFWBPHGLP-UHFFFAOYSA-N	235.243	1.587	5	40	BDBB	
CC[N+]1([C@@H]2CC[C@@H]3CC[C@@H]2[C@@H]3O)CCOCC1	104136599	RCYBRYYJLMVFBK-IGQOVBAYSA-N	240.367	1.403	5	40	BDBB	
O=[N+]([O-])c1cc(SCCO)cc([N+](=O)[O-])c1	4343594	UFNOXBTYOMAHDT-UHFFFAOYSA-N	244.228	1.587	5	40	BDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cnco1	224060700	SWVBQFQBFOTEGA-UHFFFAOYSA-N	233.183	1.835	5	40	BDBB	
O=c1ccc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	26420366	IKBFYMXTFYZVAS-UHFFFAOYSA-N	217.184	1.345	5	40	BDBB	
CN1C(=O)N/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O	3846989	NJXKKMWQUOZWAL-RMKNXTFCSA-N	247.210	1.117	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CO2)c([N+](=O)[O-])c1	1558016	HQMLRVISGWALJZ-ZETCQYMHSA-N	240.171	1.281	5	40	BDBB	
C[C@@H]1Cc2cc([N+](=O)[O-])cc(C(=O)O)c2O1	218820203	ZHXWYZYHSLZQAC-RXMQYKEDSA-N	223.184	1.616	5	40	BDBB	
C[C@H]1CN(C)CCN1Cc1ccccc1[N+](=O)[O-]	70037390	MGFDLYFQEWFRCE-NSHDSACASA-N	249.314	1.731	5	40	BDBB	
CCOc1cc(O)c(C(C)=O)cc1[N+](=O)[O-]	96291503	COOZMYFLPFYSDY-UHFFFAOYSA-N	225.200	1.902	5	40	BDBB	
COCc1n[nH]c(-c2ccccc2[N+](=O)[O-])n1	95532207	HIQIQSAVHJDRMG-UHFFFAOYSA-N	234.215	1.526	5	40	BDBB	
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N)n2)C1	167771973	DSBWMVFUMGZNGI-MRVPVSSYSA-N	236.275	1.808	5	40	BDBB	
Cc1nn(-c2ccccc2)c([N+](=O)[O-])c1[N+](=O)[O-]	5536271	PMLAZHPAHVRCBU-UHFFFAOYSA-N	248.198	1.997	5	40	BDBB	
CC(=O)N(C)c1cc([N+](=O)[O-])ccc1C	1719413	HLRIMLFMPFZBPE-UHFFFAOYSA-N	208.217	1.886	5	40	BDBB	
O=C(O)CCNCc1ccc([N+](=O)[O-])cc1	3026289	KBFJWCLSZJKFIF-UHFFFAOYSA-N	224.216	1.159	5	40	BDBB	
CN(CC(C)(C)O)c1ccccc1[N+](=O)[O-]	71908248	LMTZPHFWDXHJDQ-UHFFFAOYSA-N	224.260	1.802	5	40	BDBB	
O=C1NCCCCc2sc([N+](=O)[O-])cc21	5753750	WSNUKDDUGDESPN-UHFFFAOYSA-N	226.257	1.722	5	40	BDBB	
CC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C	87292	GRYHGXJSURODIQ-UHFFFAOYSA-N	246.226	1.687	5	40	BDBB	biogenic
CCN(CCO)Cc1cccc([N+](=O)[O-])c1	49754204	QQGCZIYTLMWIJW-UHFFFAOYSA-N	224.260	1.409	5	40	BDBB	
Cc1cnc(N(C)C[C@H](C)O)c([N+](=O)[O-])c1	85427050	ZOVLPNLRNDJUAL-QMMMGPOBSA-N	225.248	1.115	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc2cccnc12	5162168	FWUCNXBOHHWZQZ-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
CC(=O)Nc1snc(C)c1[N+](=O)[O-]	5758266	OGWKKBVTBYBCOW-UHFFFAOYSA-N	201.207	1.318	5	40	BDBB	
COC(=O)/C=C\c1cccc([N+](=O)[O-])c1	16891100	DKQXESBKFCYESZ-WAYWQWQTSA-N	207.185	1.781	5	40	BDBB	
O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])o1	375207	BUQOMEXWMPHRPO-UHFFFAOYSA-N	233.183	1.835	5	40	BDBB	
NC(=O)c1cccc2cccc([N+](=O)[O-])c12	57353815	WOSBUDYWESXHRR-UHFFFAOYSA-N	216.196	1.847	5	40	BDBB	
CC(C)N1C(=O)Cc2ccc([N+](=O)[O-])cc2C1=O	256053652	SHAYRFJKCFLLSO-UHFFFAOYSA-N	248.238	1.528	5	40	BDBB	
N[C@@H](Cc1c[nH]c2c([N+](=O)[O-])cccc12)C(=O)O	6567327	BAAGPHWSKFTJTK-QMMMGPOBSA-N	249.226	1.031	5	40	BDBB	
O=[N+]([O-])c1cccc(-n2cc(F)cn2)c1O	1857794426	CASKJZYDOIFPAT-UHFFFAOYSA-N	223.163	1.625	5	40	BDBB	
C[C@H]1COCCN1c1ccc([N+](=O)[O-])nc1	73588242	OPFQNEYMBKNBFW-QMMMGPOBSA-N	223.232	1.215	5	40	BDBB	
Cn1nc([N+](=O)[O-])cc1Br	953126665	BQOXVGYPQWWZNA-UHFFFAOYSA-N	205.999	1.091	5	40	BDBB	
C[C@@H]1CNCCN1C(=O)c1ccc([N+](=O)[O-])cc1	54370655	MTEYNBJQZLKPSB-SECBINFHSA-N	249.270	1.029	5	40	BDBB	
CCCCN(C)c1nc(N)ncc1[N+](=O)[O-]	5446013	LMZZCLOUHFOSDL-UHFFFAOYSA-N	225.252	1.203	5	40	BDBB	
O=[N+]([O-])c1ccc(Sc2ncc[nH]2)nc1	78469543	FANDOHPXMJAUHL-UHFFFAOYSA-N	222.229	1.864	5	40	BDBB	
CCOc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-]	96315993	GFTUVGJUSLOULH-UHFFFAOYSA-N	227.176	1.484	5	40	BDBB	
O=[N+]([O-])c1cc(O)c(Cl)c([N+](=O)[O-])c1	32622829	QBSCFQUZRNTSSJ-UHFFFAOYSA-N	218.552	1.862	5	40	BDBB	
CCC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCO2	1595707	GZCAMEIZVBNVGK-UHFFFAOYSA-N	239.183	1.639	5	40	BDBB	
[O-][N+]1(CC[N+]2([O-])CCCCC2)CCCCC1	1608453	VHFJBAOBJDUUAL-UHFFFAOYSA-N	228.336	1.983	5	40	BDBB	in-vitro
C[N+](C)(C)C[C@@H]1CCC[C@H]1C[N+](C)(C)C	1631102	NVJZHGPRWSNXHO-STQMWFEESA-N	214.397	1.815	5	40	BDBB	
O=c1c([N+](=O)[O-])cccn1Cc1cccc(F)c1	72280382	KKLUDIBVHNXUQI-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
CN(C)c1cc(N)c(Cl)cc1[N+](=O)[O-]	45891187	KKGGKEKOBNZUCV-UHFFFAOYSA-N	215.640	1.896	5	40	BDBB	
C[C@@H]1Oc2cccc([N+](=O)[O-])c2NC1=O	38885092	KJLTZKFWTJOQFY-YFKPBYRVSA-N	208.173	1.314	5	40	BDBB	
Nc1cc(C(=O)O)c(F)cc1[N+](=O)[O-]	128276080	HRPXUDHQMQEJFH-UHFFFAOYSA-N	200.125	1.014	5	40	BDBB	
COc1cc(O)c(C(=O)O)cc1[N+](=O)[O-]	169800252	SGJMZHXWMUSUBE-UHFFFAOYSA-N	213.145	1.007	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(N)cc1N1CCOCC1	216863629	BWQDWFPGHMMPTN-UHFFFAOYSA-N	237.259	1.322	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCCN1	32911351	VOJPVCYTWXJKJB-UHFFFAOYSA-N	249.270	1.726	5	40	BDBB	
O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)O1	8782364	FFRQYGNUJIOICX-VIFPVBQESA-N	225.225	1.883	5	40	BDBB	
COc1ccc(OC)c([N+](=O)[O-])c1C(=O)O	38284279	FWXKXSMYSALLCF-UHFFFAOYSA-N	227.172	1.310	5	40	BDBB	
CC(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	20496202	PFIDZJJWHUEEAM-UHFFFAOYSA-N	248.198	1.603	5	40	BDBB	
CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1	47911118	ZEVQFEXNVZZJNM-UHFFFAOYSA-N	249.270	1.263	5	40	BDBB	
O=[N+]([O-])c1c(Cl)ncnc1-n1ccnc1	40448193	DNXIPPFWVGQSTO-UHFFFAOYSA-N	225.595	1.224	5	40	BDBB	
CCn1nc(C(F)(F)F)cc1[N+](=O)[O-]	12396713	PYWUTUNKHLBVMS-UHFFFAOYSA-N	209.127	1.830	5	40	BDBB	
C[N+]1(CCOCc2ccccc2)CCOCC1	3066121	ZWHOUMSOGXZBQE-UHFFFAOYSA-N	236.335	1.680	5	40	BDBB	
Cc1ccc(OCC(=N)N)c([N+](=O)[O-])c1	58477977	ZZLYFYUOFRZTAG-UHFFFAOYSA-N	209.205	1.218	5	40	BDBB	
COC[C@@H](O)CNc1ccc([N+](=O)[O-])c(C)c1	71271425	AGIKGVJBQCRBFB-JTQLQIEISA-N	240.259	1.322	5	40	BDBB	
O=[N+]([O-])c1cc(Br)c(O)c(CO)c1	4050525	QHCPKYKJLPTBGA-UHFFFAOYSA-N	248.032	1.555	5	40	BDBB	
COc1ccc2oc(N)c([N+](=O)[O-])c2c1	4506100	IPVWUKQGCQBNNE-UHFFFAOYSA-N	208.173	1.932	5	40	BDBB	
O=[N+]([O-])c1cnn(CCOc2ccccc2)c1	67799395	SLRQNRHOWRJXDN-UHFFFAOYSA-N	233.227	1.870	5	40	BDBB	
C[C@@H](Cn1cc([N+](=O)[O-])c(C(F)F)n1)C(=O)O	408717426	ZUQAIFKLCUDCJH-BYPYZUCNSA-N	249.173	1.450	5	40	BDBB	
O=[N+]([O-])c1ccccc1OCC1CCNCC1	42782904	SVJZXTDZALYYRB-UHFFFAOYSA-N	236.271	1.973	5	40	BDBB	
O=C(O)[C@@H]1COc2ccc([N+](=O)[O-])cc2C1	40162404	NZZVJUVOFZCXIW-ZETCQYMHSA-N	223.184	1.231	5	40	BDBB	
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N	40564705	NTNJJLYBWLJZBS-UHFFFAOYSA-N	245.622	1.402	5	40	BDBB	
C/C=C/C1OCC(CC)([N+](=O)[O-])CO1	1586479	PJTUIAHVKHAQKP-HWKANZROSA-N	201.222	1.361	5	40	BDBB	
O=[N+]([O-])c1ccccc1OC[C@@H]1CCCNC1	42782902	BGCMJHWSOXRZHS-SNVBAGLBSA-N	236.271	1.973	5	40	BDBB	
Cc1ccc2c(=O)c([N+](=O)[O-])c[nH]c2c1	147745827	UHNGNAKCLOWVMQ-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	
Cc1cccc2c(=O)c([N+](=O)[O-])c[nH]c12	16698022	QXRFLACAYRMCOS-UHFFFAOYSA-N	204.185	1.745	5	40	BDBB	
COc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]c1=O	32911396	KMUFSJBYIDLSDP-UHFFFAOYSA-N	247.210	1.354	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc(O)[nH]2)cc1	1647262	NDTKZJMWHPUVQG-UHFFFAOYSA-N	206.161	1.086	5	40	BDBB	
C[C@@H](CO)Nc1ccc([N+](=O)[O-])c2cnccc12	35205665	GQRGGCCHOSCDBA-QMMMGPOBSA-N	247.254	1.936	5	40	BDBB	
Cc1nc(N2CCCO2)ccc1[N+](=O)[O-]	96502638	YLYXSRIPRFANHY-UHFFFAOYSA-N	209.205	1.440	5	40	BDBB	
Cn1ncc(NC(=O)OC(C)(C)C)c1[N+](=O)[O-]	1548918952	VZSDUMAXZXKPGI-UHFFFAOYSA-N	242.235	1.675	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1/C=C\C(=O)O	16955085	KAXCXSIBSOTTRN-HYXAFXHYSA-N	223.184	1.701	5	40	BDBB	
O=[N+]([O-])c1cc(I)ccn1	21982024	PXUUFQDUIYMEGH-UHFFFAOYSA-N	249.995	1.594	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])nn1C(C)C	72339701	VLLKLJXBWLORSD-UHFFFAOYSA-N	213.193	1.159	5	40	BDBB	
O=[N+]([O-])c1n[nH]c(Sc2ccccc2)n1	95116195	DXXTXUZTWRYFDW-UHFFFAOYSA-N	222.229	1.864	5	40	BDBB	
O=[N+]([O-])c1cc(CO)cnc1Br	238728454	BNLZZPCTZHFMSZ-UHFFFAOYSA-N	233.021	1.245	5	40	BDBB	
C[C@@H](N)c1nc(-c2ccc(O)c([N+](=O)[O-])c2)n[nH]1	61844037	YLUARJMJNAQJPW-RXMQYKEDSA-N	249.230	1.105	5	40	BDBB	
COCCCN(C)c1ccc([N+](=O)[O-])cn1	66372037	MIACURHAVYWQOW-UHFFFAOYSA-N	225.248	1.463	5	40	BDBB	
O=[N+]([O-])c1cccnc1SCCO	35082343	STIGXMFVNBEONW-UHFFFAOYSA-N	200.219	1.074	5	40	BDBB	
O=[N+]([O-])c1ccc2[nH]cc(CCO)c2c1	137666806	FDBNRZJTIDHFTQ-UHFFFAOYSA-N	206.201	1.611	5	40	BDBB	
O=Cc1oc2cc([N+](=O)[O-])ccc2c1O	100554608	JNTYASVRRPOOPC-UHFFFAOYSA-N	207.141	1.859	5	40	BDBB	
O=C(O)CCc1cc(F)ccc1[N+](=O)[O-]	35688520	GLEBYEUPLNOEDZ-UHFFFAOYSA-N	213.164	1.751	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCOCC2)s1	4716691	KHVVBNIJZRLCTK-UHFFFAOYSA-N	214.246	1.493	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(NCc2ccco2)n1	95098531	CUOXVGKVQYONHF-UHFFFAOYSA-N	222.204	1.533	5	40	BDBB	
Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-]	4224498	XWJNZVRWZJENTG-UHFFFAOYSA-N	245.242	1.579	5	40	BDBB	
Cc1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	62719657	QIBGSVROXZMNKW-UHFFFAOYSA-N	234.215	1.600	5	40	BDBB	
COC(=O)c1c([N+](=O)[O-])cnn1C(C)C	72339692	ZETGPKPUVRMDBP-UHFFFAOYSA-N	213.193	1.159	5	40	BDBB	
COC(=O)c1ccc([N+](=O)[O-])cc1OC	34481666	TVOXZWILIMTOIT-UHFFFAOYSA-N	211.173	1.390	5	40	BDBB	
COC(=O)C(=O)c1c[nH]c2c([N+](=O)[O-])cccc12	157970028	PKSOIRGERMPPLC-UHFFFAOYSA-N	248.194	1.432	5	40	BDBB	
CCn1nnnc1NCc1ccc([N+](=O)[O-])cc1	8340068	UVHMMVNXKDZZEI-UHFFFAOYSA-N	248.246	1.213	5	40	BDBB	
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1	32931969	JPZQCAVWBQZOSO-ZJUUUORDSA-N	220.228	1.599	5	40	BDBB	
COc1ccc2c(c1)[n+]([O-])c1ccccc1[n+]2[O-]	4692635	KEQNUKOWWOSBSJ-UHFFFAOYSA-N	242.234	1.268	5	40	BDBB	
O=C(O)C[C@H](C[N+](=O)[O-])c1cccc(F)c1	217536336	VSLBQYPDDBWCSS-MRVPVSSYSA-N	227.191	1.661	5	40	BDBB	
COc1cccc([C@@H](CC(=O)O)C[N+](=O)[O-])c1	57529597	SUIRTDYSHLDGEC-VIFPVBQESA-N	239.227	1.530	5	40	BDBB	
COC(=O)c1cc(O)c(F)c([N+](=O)[O-])c1	1857793543	KMNRORLUVZAZME-UHFFFAOYSA-N	215.136	1.226	5	40	BDBB	
COC(=O)c1c(C=O)cccc1[N+](=O)[O-]	1596256	UFSGWOAUSVQOQB-UHFFFAOYSA-N	209.157	1.194	5	40	BDBB	
O=[N+]([O-])c1cccc(CNC[C@@H]2CCCO2)c1	2554121	XJMGDFZISCNQAG-LBPRGKRZSA-N	236.271	1.863	5	40	BDBB	
Nc1n[nH]c2c(Cl)cc([N+](=O)[O-])cc12	42684512	NTJSXPXNGMVYCV-UHFFFAOYSA-N	212.596	1.707	5	40	BDBB	in-vitro
C[C@@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1	34538926	LWBKCZGKJDVOHV-SSDOTTSWSA-N	225.200	1.132	5	40	BDBB	
O=[N+]([O-])c1c(Cl)ncnc1N1CCCC1	4826951	RBMLQBRZMAOTRI-UHFFFAOYSA-N	228.639	1.638	5	40	BDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1	16199800	HRTIQBFBRZUGIY-UHFFFAOYSA-N	235.243	1.529	5	40	BDBB	
CC[C@H](C)Nc1ncc([N+](=O)[O-])c(N)n1	70644113	DBSUVWOAMNDHMH-YFKPBYRVSA-N	211.225	1.177	5	40	BDBB	
O=[N+]([O-])c1ccc(SCCO)nc1	35083108	QRXFWNAZDAMHGI-UHFFFAOYSA-N	200.219	1.074	5	40	BDBB	
O=[N+]([O-])c1cc2nc(O)oc2cc1[N+](=O)[O-]	4775362	ZEKIPJPTYRBHPF-UHFFFAOYSA-N	225.116	1.350	5	40	BDBB	
CCOC(=O)c1c(C)nc2ccc([N+](=O)[O-])cn12	20358018	SESKONWMKGZKOO-UHFFFAOYSA-N	249.226	1.728	5	40	BDBB	
COc1cc(Cl)c2nonc2c1[N+](=O)[O-]	4859388	MFEDKUVPKFZVDV-UHFFFAOYSA-N	229.579	1.793	5	40	BDBB	
CCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OC	4832187	WOEKPLDWONEFOX-UHFFFAOYSA-N	242.187	1.910	5	40	BDBB	
CCCn1cc([N+](=O)[O-])c(C(=O)OCC)n1	408715691	CMPUOLCKCNMJQF-UHFFFAOYSA-N	227.220	1.378	5	40	BDBB	
COc1ccc(/C=C/C(=O)O)c([N+](=O)[O-])c1	83311987	KTRSXFHYDOWXPT-HWKANZROSA-N	223.184	1.701	5	40	BDBB	
CCOC(=O)c1cc(OC)cc([N+](=O)[O-])c1	85221374	CBICIWBUDRQIBK-UHFFFAOYSA-N	225.200	1.780	5	40	BDBB	
NCc1ccc([C@H]2CCNC(=O)C2)c([N+](=O)[O-])c1	199775771	SIBDYZUWBXCDJP-VIFPVBQESA-N	249.270	1.047	5	40	BDBB	
c1ccc2c(c1)ccc1c2nnc2nnnn21	1564346	LBZGWVJKQHHMEE-UHFFFAOYSA-N	222.211	1.221	5	40	BDBB	
CCOC(=O)Nc1ccc(N)cc1[N+](=O)[O-]	59078334	HDEBGAGNWSBAOY-UHFFFAOYSA-N	225.204	1.745	5	40	BDBB	in-vitro
O=Cc1ccc([N+](=O)[O-])c2ncccc12	72206541	BDASYKDHFQXSSL-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	
NCC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	169801744	YBGDMKWJCTWAGG-UHFFFAOYSA-N	248.160	1.755	5	40	BDBB	
O=[N+]([O-])C1([N+](=O)[O-])C2CC3CC(C2)CC1C3	19327009	LLYKIMPMZLMAOC-UHFFFAOYSA-N	226.232	1.692	5	40	BDBB	
COC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	73836099	ZHFCDELFRWLNKC-MRVPVSSYSA-N	239.227	1.787	5	40	BDBB	
CC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O	497489	FVEDBMWGSMTGTQ-UHFFFAOYSA-N	247.206	1.833	5	40	BDBB	biogenic
CCNC(=O)c1cccc([N+](=O)[O-])c1C	5456605	VGILSJOFSYDYLW-UHFFFAOYSA-N	208.217	1.653	5	40	BDBB	
O=[N+]([O-])c1ccc(NCC2CCNCC2)nc1	40434835	DCXJDXMVEXZATG-UHFFFAOYSA-N	236.275	1.401	5	40	BDBB	
CCOC(=O)[C@@H]1CCC[N+]2(C)CCCC[C@H]12	6783872	AYAOGAWAISPJGQ-QAYQGLBKSA-N	226.340	1.959	5	40	BDBB	
Cc1ccc([C@H](N)P(=O)(O)O)cc1[N+](=O)[O-]	3329307	DQYCDZNZYYPHFZ-MRVPVSSYSA-N	246.159	1.038	5	40	BDBB	
O=[N+]([O-])c1ccn(-c2cnc3ccccc3n2)n1	65592774	CVCZYUPBIJPGNT-UHFFFAOYSA-N	241.210	1.724	5	40	BDBB	
O=C(NC1CC1)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990469	VSNFAXWXZVCBDT-UHFFFAOYSA-N	246.266	1.905	5	40	BDBB	
NC(=O)c1cccc(Cl)c1[N+](=O)[O-]	39271605	MCRCSTFZVNYBHR-UHFFFAOYSA-N	200.581	1.347	5	40	BDBB	in-vitro
Cc1nn2cnc3ccc(Cl)cc3c2nc1=O	75093418	JNYHSWMJXDERRI-UHFFFAOYSA-N	246.657	1.600	5	40	BDBB	
COc1cc(C(=O)O)cc(F)c1[N+](=O)[O-]	116834140	PXQRXFVLYSGNEL-UHFFFAOYSA-N	215.136	1.441	5	40	BDBB	
CCOC(Cn1ccc([N+](=O)[O-])n1)OCC	12395683	OGVTVQJZAJCKNT-UHFFFAOYSA-N	229.236	1.190	5	40	BDBB	
O=C(O)c1ccc([N+](=O)[O-])c2ncccc12	62702347	UUEGQMBBRCJYBI-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
O=[N+]([O-])c1nccc(C(F)(F)F)c1O	307296632	RZQBIPGERICIJV-UHFFFAOYSA-N	208.095	1.714	5	40	BDBB	
Nc1ncc(Br)c(F)c1[N+](=O)[O-]	299889809	OZTGLQASKWFCJS-UHFFFAOYSA-N	236.000	1.474	5	40	BDBB	
C[N+](C)(C)Cc1ccc(N2C(=O)C=CC2=O)cc1	2379147	ZROGCTVOCDHUKJ-UHFFFAOYSA-N	245.302	1.322	5	40	BDBB	in-vitro
Nc1cc(-n2cccn2)c(F)cc1[N+](=O)[O-]	12926579	GRMJVAQREPBDOV-UHFFFAOYSA-N	222.179	1.502	5	40	BDBB	in-vitro
CCNCc1ccc(NC)c([N+](=O)[O-])c1	78442940	PWWVTDYJQXADRO-UHFFFAOYSA-N	209.249	1.746	5	40	BDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1ccc(F)cc1	14676008	FVPVMWNWGPORHB-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
CN1C=Cc2ccccc2[C@H]1C[N+](=O)[O-]	31669913	YMIXPQDJQDJFKQ-LLVKDONJSA-N	204.229	1.921	5	40	BDBB	
Cc1c([N+](=O)[O-])ccc([N+](=O)[O-])c1[N+](=O)[O-]	95696893	LFCALAUEQXYQIV-UHFFFAOYSA-N	227.132	1.720	5	40	BDBB	
O=Cc1ccc(N2CCOCC2)cc1[N+](=O)[O-]	95081359	DXCHDWUUUUEPKB-UHFFFAOYSA-N	236.227	1.244	5	40	BDBB	
C[C@@](Cl)(CO[C@H]1CCCCO1)[N+](=O)[O-]	34586430	XXIXCGZPUSLGPY-YUMQZZPRSA-N	223.656	1.761	5	40	BDBB	in-vitro
CCOC(=O)C[C@@H](C)[C@H](CC)[N+](=O)[O-]	1696835	UZHUGGMTFKMZBV-SFYZADRCSA-N	203.238	1.631	5	40	BDBB	
O=C(O)c1cccn2c(=O)c3ccccc3nc12	801649	ILCIRAGSNQDBPD-UHFFFAOYSA-N	240.218	1.546	5	40	BDBB	
COC(=O)C[C@H](N)c1cccc([N+](=O)[O-])c1	15440691	WCYSVIMUYDWOPM-VIFPVBQESA-N	224.216	1.158	5	40	BDBB	in-vitro
O=C(O)CCc1ccc([N+](=O)[O-])c(F)c1	34543976	XQDGEYKAIQZAAA-UHFFFAOYSA-N	213.164	1.751	5	40	BDBB	
O=Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	39247942	NUBDABBFPSPVHP-UHFFFAOYSA-N	219.156	1.457	5	40	BDBB	in-vitro
O=C(O)c1cc([N+](=O)[O-])nn1CC(F)(F)F	72209682	VADIWCDNOBUMPN-UHFFFAOYSA-N	239.109	1.052	5	40	BDBB	
CCOCCCNc1nn(CC)cc1[N+](=O)[O-]	95098509	MPWAIVNYWIMCNI-UHFFFAOYSA-N	242.279	1.650	5	40	BDBB	
OBc1nc2ccccc2c2ccccc12	231967716	OVBJODFFTWHYLR-UHFFFAOYSA-N	207.041	1.357	5	40	BDBB	
O=[N+]([O-])c1cnc2cc(-c3ccccn3)nn2c1	584906315	XQQLIWFNYJUTOA-UHFFFAOYSA-N	241.210	1.700	5	40	BDBB	
COc1c(C(N)=O)cc(C)c(C)c1[N+](=O)[O-]	57340079	NUPMNXLMFYYXIZ-UHFFFAOYSA-N	224.216	1.319	5	40	BDBB	
C[C@@H]1CC(=O)Nc2ccc([N+](=O)[O-])cc2N1C	4004775	BEOZEQFRINONEL-SSDOTTSWSA-N	235.243	1.762	5	40	BDBB	
CC1(C)CC([N+](C)(C)CCO)CC(C)(C)N1O	2565827	KFJJJSRCJLCRCE-UHFFFAOYSA-N	245.387	1.466	5	40	BDBB	
COC[C@H](N)Cc1ccc([N+](=O)[O-])cc1	63026380	XJEUXIUXTYQFJS-SECBINFHSA-N	210.233	1.111	5	40	BDBB	
CCOc1ccc([N+](=O)[O-])cc1CC(=O)OC	106679885	PGKLSPSFYANZMH-UHFFFAOYSA-N	239.227	1.709	5	40	BDBB	
CN(C)/C=C/c1ccc2c(nnn2C)c1[N+](=O)[O-]	52525345	PHWVAURKJJEJNK-VOTSOKGWSA-N	247.258	1.409	5	40	BDBB	
O=C(Nc1nncs1)c1ccc([N+](=O)[O-])o1	16972378	QCBJGANOPFMEKA-UHFFFAOYSA-N	240.200	1.292	5	40	BDBB	
Nc1cc2c(cc1[N+](=O)[O-])OC(F)(F)O2	22057465	LTOFLIJPFCURIU-UHFFFAOYSA-N	218.115	1.499	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc2c(cc1NC1CC1)OCO2	217726200	SKGRHJPODRMTNW-UHFFFAOYSA-N	222.200	1.898	5	40	BDBB	
O=[N+]([O-])c1cc(Br)cn2ncnc12	888084637	OZHYNZLYMGEOJK-UHFFFAOYSA-N	243.020	1.400	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NCc1ccco1	32627561	XAEUCUPZXDUBEV-UHFFFAOYSA-N	222.204	1.533	5	40	BDBB	in-vitro
O=C1CCN(c2ncccc2[N+](=O)[O-])CC1	19437727	BOBGISYVOBYUKA-UHFFFAOYSA-N	221.216	1.159	5	40	BDBB	in-vitro
Cc1ccc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1	99333	DLQZVKNZVDCCIV-JQWIXIFHSA-N	234.255	1.591	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC(O)CC2)c(F)c1	15443729	OHJPBJCNSVQUJC-UHFFFAOYSA-N	240.234	1.695	5	40	BDBB	
COC(CNCc1ccc([N+](=O)[O-])cc1)OC	37389046	HNQOXEWDGGMRJA-UHFFFAOYSA-N	240.259	1.303	5	40	BDBB	
CCNC(=O)OCc1ccccc1[N+](=O)[O-]	16681728	GKUVBDLUJYQXHB-UHFFFAOYSA-N	224.216	1.841	5	40	BDBB	
O=C(O)/C=C/c1ccc(F)c([N+](=O)[O-])c1	2386142	CQDUDTCHWSHVKT-DUXPYHPUSA-N	211.148	1.832	5	40	BDBB	in-vitro
O=C(O)CCCNCc1ccc([N+](=O)[O-])cc1	21951699	NRNRJXBAMSLMOV-UHFFFAOYSA-N	238.243	1.549	5	40	BDBB	
CCNC(=O)CNc1cccc([N+](=O)[O-])c1C	9339013	DYMJVRRVVOTOMS-UHFFFAOYSA-N	237.259	1.451	5	40	BDBB	
O=C(O)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	17111357	SUXYOODICVJISM-UHFFFAOYSA-N	229.575	1.516	5	40	BDBB	
CC1=C([N+](=O)[O-])[C@H](c2ccccc2)NC(=O)N1	78724	RDHOORIHIGDOCT-VIFPVBQESA-N	233.227	1.549	5	40	BDBB	biogenic
COCCNc1cccc(F)c1[N+](=O)[O-]	37420457	BBVGANBEJPKKHX-UHFFFAOYSA-N	214.196	1.792	5	40	BDBB	
O=C1NC(S)=N/C1=C/c1ccc([N+](=O)[O-])cc1	187173	BVELKCKHIGDJDW-VMPITWQZSA-N	249.251	1.351	5	40	BDBB	
COC(=O)CCCNc1ncccc1[N+](=O)[O-]	20405289	PVJANZWQINAFQX-UHFFFAOYSA-N	239.231	1.355	5	40	BDBB	
CC(=O)n1cc2cc([N+](=O)[O-])ccc2n1	1715982	ORIGJAVPNXBIBN-UHFFFAOYSA-N	205.173	1.605	5	40	BDBB	
Nc1cc([N+](=O)[O-])ccc1OC(F)F	2559325	ZLWYRUPJFBLFJZ-UHFFFAOYSA-N	204.132	1.778	5	40	BDBB	in-vitro
O=C1OCCN1c1ccc([N+](=O)[O-])cc1	8716946	HQHDWXOWQVUKNQ-UHFFFAOYSA-N	208.173	1.551	5	40	BDBB	in-vitro
NC1CCN(c2cccc(F)c2[N+](=O)[O-])CC1	37420995	ZMDLKUPVSMKKOU-UHFFFAOYSA-N	239.250	1.661	5	40	BDBB	
N=C(N)c1c(F)ccc([N+](=O)[O-])c1F	84193961	YRTDDBIVBXYQEX-UHFFFAOYSA-N	201.132	1.157	5	40	BDBB	
O=[N+]([O-])c1cn(CNc2ccccn2)cn1	15954019	KKNBSRDZXAMPNY-UHFFFAOYSA-N	219.204	1.256	5	40	BDBB	
C[N+]1(CCC(=O)c2ccccc2)CCOCC1	1572952	OALDZOFUYGSDOE-UHFFFAOYSA-N	234.319	1.736	5	40	BDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1	55386859	QDQBVJOKKHNYEX-UHFFFAOYSA-N	249.201	1.813	5	40	BDBB	
Cn1c(O)c([N+](=O)[O-])c(=O)c2ccccc21	9186825	CXTJBGFUCIHFKL-UHFFFAOYSA-N	220.184	1.152	5	40	BDBB	
N=c1nc(O)c2cc([N+](=O)[O-])ccc2s1	9354443	DVNODYDWKZZBKS-UHFFFAOYSA-N	223.213	1.390	5	40	BDBB	
Cn1nc2ccc(Cl)c([N+](=O)[O-])c2n1	218256841	LDFZJSVGEYOOPW-UHFFFAOYSA-N	212.596	1.530	5	40	BDBB	
O=[N+]([O-])c1ccc(SC2CCNCC2)nc1	91366451	QFRXZWWQHIJCSQ-UHFFFAOYSA-N	239.300	1.834	5	40	BDBB	
O=C(O[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1	107011541	UMUYAUZIMSRRLR-JTQLQIEISA-N	237.211	1.541	5	40	BDBB	
C[N+](C)(C)[C@@H](c1ccccc1)P(=O)(O)O	1720888	CSLMBGKJFFHYAQ-SNVBAGLBSA-O	230.224	1.569	5	40	BDBB	
CC(=O)CCc1cc2c(cc1[N+](=O)[O-])OCO2	4782781	ZEDRNJMTGPWKKD-UHFFFAOYSA-N	237.211	1.845	5	40	BDBB	
CCOC(=O)c1cn2ccc(C)c([N+](=O)[O-])c2n1	34361354	XLNJPNHNTLBCKS-UHFFFAOYSA-N	249.226	1.728	5	40	BDBB	
COC(=O)CCC[N+]12CCC(CC1)CC2	45221371	NSCKASWUWREJNO-UHFFFAOYSA-N	212.313	1.570	5	40	BDBB	
NNc1cc([N+](=O)[O-])ccc1Br	82345121	YGKPMXOMDNPDHO-UHFFFAOYSA-N	232.037	1.643	5	40	BDBB	
N[C@@H](C(=O)O)c1cc([N+](=O)[O-])ccc1Cl	199809354	SZZZHQRPXLTHAW-SSDOTTSWSA-N	230.607	1.333	5	40	BDBB	
CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1	1620864	ODNSPFZFMYOBLW-UXBLZVDNSA-N	232.195	1.911	5	40	BDBB	
Cc1cccnc1Nc1ncnc(N)c1[N+](=O)[O-]	3912733	IXBJEHDWQLJIBW-UHFFFAOYSA-N	246.230	1.414	5	40	BDBB	
CCOc1n[nH]c2ccc([N+](=O)[O-])cc12	72226529	VJZKLARZVHRPRB-UHFFFAOYSA-N	207.189	1.870	5	40	BDBB	
NNc1nc2ccccc2cc1[N+](=O)[O-]	26441135	DERASAFMHXNKGC-UHFFFAOYSA-N	204.189	1.429	5	40	BDBB	
C[C@@H](CC(=O)O)n1nc([N+](=O)[O-])cc1C1CC1	408715746	DCRDHQOMLWRLRS-LURJTMIESA-N	239.231	1.704	5	40	BDBB	
COCc1nc2cc([N+](=O)[O-])ccc2o1	216761215	LFQKZNMADBENTC-UHFFFAOYSA-N	208.173	1.882	5	40	BDBB	
CCOC(=O)Nc1cc([N+](=O)[O-])ccc1O	218052263	AGVJAEDRZSYFTI-UHFFFAOYSA-N	226.188	1.869	5	40	BDBB	
O=C1CCc2cc([N+](=O)[O-])cc3c2N1CCC3	5459005	UZPBBIYWJBECQJ-UHFFFAOYSA-N	232.239	1.820	5	40	BDBB	
COC(=O)c1c[nH]nc1-c1cccc([N+](=O)[O-])c1	1776011366	QQPLXAMMSCJNJK-UHFFFAOYSA-N	247.210	1.772	5	40	BDBB	
CC[N+](C)(CC)CCn1nnc2ccccc21	5469392	NGVVBZKJTLDSQF-UHFFFAOYSA-N	233.339	1.918	5	40	BDBB	
CCOC(=O)c1cn2cccc([N+](=O)[O-])c2n1	480122	YDLKKFCMWQRERX-UHFFFAOYSA-N	235.199	1.419	5	40	BDBB	
CC(=O)OCc1ccoc1C[N+](C)(C)C	3638912	HANQUPCXRBBXAS-UHFFFAOYSA-N	212.269	1.549	5	40	BDBB	
O=c1c2ccccc2n2c(=O)oc3cccc1c32	16525192	CEABSAIIQSDGRK-UHFFFAOYSA-N	237.214	1.997	5	40	BDBB	
O=C(NC1CC=CC1)c1ccc(O)c([N+](=O)[O-])c1	97374914	MGHHYWURADNEFW-UHFFFAOYSA-N	248.238	1.749	5	40	BDBB	
N[C@H](Cc1c[nH]c2c([N+](=O)[O-])cccc12)C(=O)O	2022425	BAAGPHWSKFTJTK-MRVPVSSYSA-N	249.226	1.031	5	40	BDBB	
C[N+]1(C[C@H](O)c2ccccc2)CCOCC1	6519786	IRELKPHNANAQBL-ZDUSSCGKSA-N	222.308	1.197	5	40	BDBB	
O=[N+]([O-])c1c(-n2ccnc2)nc2sccn12	9338091	SZLOFYHYBXPRPJ-UHFFFAOYSA-N	235.228	1.490	5	40	BDBB	
CC(=O)n1ncc2cc([N+](=O)[O-])c(C)cc21	40566589	WQERPSOIKDWETJ-UHFFFAOYSA-N	219.200	1.913	5	40	BDBB	
O=C1NC(S)=N/C1=C/c1cccc([N+](=O)[O-])c1	18044460	YLAMPWFIFGRNCQ-VMPITWQZSA-N	249.251	1.351	5	40	BDBB	
Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1C	57339861	NKYDZCJWAMXPMU-UHFFFAOYSA-N	211.173	1.615	5	40	BDBB	
O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1F	64220105	WPVIWZWBRURGLA-UHFFFAOYSA-N	204.088	1.781	5	40	BDBB	
CCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	35588009	FUNDOTGVFNEYRC-UHFFFAOYSA-N	234.255	1.890	5	40	BDBB	
CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1	304783	QRBOMDOFHIYOCJ-ZCFIWIBFSA-N	212.205	1.716	5	40	BDBB	
CC(C)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	3188585	RWZOQTMDWLCAPO-UHFFFAOYSA-N	248.238	1.847	5	40	BDBB	
Nc1cc([N+](=O)[O-])ccc1OCC(F)F	72209532	KKJMEDANBJCANM-UHFFFAOYSA-N	218.159	1.821	5	40	BDBB	
O=Cc1cc(N2CCOCC2)ccc1[N+](=O)[O-]	15779433	KDPBSDXZXZCLNA-UHFFFAOYSA-N	236.227	1.244	5	40	BDBB	
CCS(=O)(=O)Cc1ccsc1[N+](=O)[O-]	96532759	YRTUISSDNZBHFL-UHFFFAOYSA-N	235.286	1.591	5	40	BDBB	
COC(=O)c1ccn2c([N+](=O)[O-])cnc2c1	97463344	FSKZMOLLOXQTRE-UHFFFAOYSA-N	221.172	1.029	5	40	BDBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C	30288766	UQSYQOVKCAOROK-UHFFFAOYSA-N	244.272	1.154	5	40	BDBB	
CN(C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1	12480727	CEQVOOGLHNALOH-UHFFFAOYSA-N	248.242	1.706	5	40	BDBB	in-vitro
NC(=O)CCCC(=O)c1cccc([N+](=O)[O-])c1	1657061	NLEJEOALUPNOOA-UHFFFAOYSA-N	236.227	1.433	5	40	BDBB	
C[N+]1(C)C[C@H]2CC[C@H]1[C@H]1CC[C@@H]2[N+](C)(C)C1	101042049	JUUGPMYMGXCLOV-CRWXNKLISA-N	224.392	1.710	5	40	BDBB	
C[C@@H](NCc1cccc([N+](=O)[O-])c1)C(=O)O	35388789	FYMBIKJYQVYYMJ-SSDOTTSWSA-N	224.216	1.158	5	40	BDBB	
Nc1c(C(=O)O)cnn1-c1ccccc1[N+](=O)[O-]	137316928	DYDVXNJAMMXMDA-UHFFFAOYSA-N	248.198	1.061	5	40	BDBB	
Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccco2)n1	1888901266	PIPNWWHNSIIALM-JTQLQIEISA-N	235.243	1.959	5	40	BDBB	
C[N+](C)(C)C[C@H]1Cc2ccccc2C1=O	5940141	RIHHCDGMNDWXNT-LLVKDONJSA-N	204.293	1.748	5	40	BDBB	
Cc1ccc(C(=O)n2cccn2)cc1[N+](=O)[O-]	6278676	MBFBFZUELXYREA-UHFFFAOYSA-N	231.211	1.788	5	40	BDBB	
CN(C)CCNCc1cccc([N+](=O)[O-])c1	20056959	QAHRWCIPSQYHBY-UHFFFAOYSA-N	223.276	1.246	5	40	BDBB	
Cc1cc(-n2cnc([N+](=O)[O-])n2)nc(C2CC2)n1	96447882	HIAZSJPRWZWMIC-UHFFFAOYSA-N	246.230	1.151	5	40	BDBB	
CCn1ncc([N+](=O)[O-])c1Br	258563508	RTPYNXAUYBXGCW-UHFFFAOYSA-N	220.026	1.574	5	40	BDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC1	57676155	GICRERFSKKBAJK-UHFFFAOYSA-N	236.227	1.206	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)nc1	24660043	MWDDCGZNPYCEBU-LLVKDONJSA-N	248.286	1.274	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2cnc3nonc3n2)c1	845949	PKTSKXRMOHAION-UHFFFAOYSA-N	243.182	1.588	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc2cc(C(N)=O)c(=O)oc12	9236170	BMFONIKIHZYDAA-UHFFFAOYSA-N	248.194	1.109	5	40	BDBB	
O=C(O)CCC(=O)Nc1ccccc1[N+](=O)[O-]	4662566	NHNBCVAABWTEBE-UHFFFAOYSA-N	238.199	1.398	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](O)C1	95948159	IYZVXYHAVLTSLB-MRVPVSSYSA-N	226.207	1.305	5	40	BDBB	
CCCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	13515547	VSNFQQXVMPSASB-JTQLQIEISA-O	246.327	1.269	5	40	BDBB	endogenous,in-man
C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(N)=O	35149143	MHSUXQDINJZDAG-YFKPBYRVSA-N	243.650	1.534	5	40	BDBB	
CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	4524439	XQQKIPRHOORRRL-VOTSOKGWSA-N	220.228	1.744	5	40	BDBB	
CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	5505800	NNCCOMRWEUWBKC-UHFFFAOYSA-N	238.199	1.096	5	40	BDBB	
O=C1CCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N1	71613842	QPKRLMNDXKBONX-UHFFFAOYSA-N	237.171	1.388	5	40	BDBB	
Cc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	40164185	JFWHEXDSGKTWPU-UHFFFAOYSA-N	204.189	1.688	5	40	BDBB	
CNc1nc(Cl)cc(C)c1[N+](=O)[O-]	230556103	OFLGMWPMVSXEIN-UHFFFAOYSA-N	201.613	1.993	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1NCCO	33605366	DZFVBIGUJAYIFJ-UHFFFAOYSA-N	212.205	1.008	5	40	BDBB	
Cc1ccc(C[N+]23CCN(CC2)CC3)cc1	383286	GLPMFSLFTQXMJG-UHFFFAOYSA-N	217.336	1.641	5	40	BDBB	
CC[N+]1([C@H]2CC[C@H]3CC[C@@H]2C3=O)CCOCC1	1761987	MXWPXGWUDJCQTO-AGIUHOORSA-N	238.351	1.611	5	40	BDBB	
COc1c2c(cc(C=O)c1[N+](=O)[O-])OCO2	34384734	XZNXGGHGXIAORV-UHFFFAOYSA-N	225.156	1.145	5	40	BDBB	
CCCNc1ccc(-n2cnnc2)cc1[N+](=O)[O-]	216751934	NGBJCBHUXUEGAL-UHFFFAOYSA-N	247.258	1.997	5	40	BDBB	
CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	45164016	WEFPZRYLYMDVLI-UHFFFAOYSA-N	249.270	1.555	5	40	BDBB	
O=[N+]([O-])c1cc[n+]([O-])c(Nc2ccccc2)c1	1703087	VYMGMTYXCZOLHD-UHFFFAOYSA-N	231.211	1.972	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)O)c1	19513889	YPGHSCYRNRGHAJ-UHFFFAOYSA-N	225.200	1.757	5	40	BDBB	
O=C1CCN(Cc2ccccc2[N+](=O)[O-])CC1	19515281	GMJCPIHTEYUGIM-UHFFFAOYSA-N	234.255	1.760	5	40	BDBB	
C[N+](C)([O-])Cc1ccccc1C[N+](C)(C)[O-]	1608454	NJUZCJRAXPXVMC-UHFFFAOYSA-N	224.304	1.835	5	40	BDBB	
O=Cc1cnc(-c2cccc([N+](=O)[O-])c2)nc1	6882828	BMVOZDPIWJUCFP-UHFFFAOYSA-N	229.195	1.864	5	40	BDBB	
O=[N+]([O-])c1cccnc1NCCn1ccnc1	25673630	IVLMXDDXVUBFSO-UHFFFAOYSA-N	233.231	1.298	5	40	BDBB	
CCCN1C(=O)COc2cc([N+](=O)[O-])ccc21	11691861	RCMLNOPPCUSOKE-UHFFFAOYSA-N	236.227	1.730	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2nc([N+](=O)[O-])n[nH]2)c1	95116204	NGLKJOZBEWWSRB-UHFFFAOYSA-N	235.159	1.288	5	40	BDBB	
CCSc1cc([N+](=O)[O-])ccc1C(N)=O	32824	DCLDUWKDRPOGDI-UHFFFAOYSA-N	226.257	1.806	5	40	BDBB	
Cc1ccc(OC[C@@H]2CCNC2)c([N+](=O)[O-])c1	42773436	VALCPKCJKGMDBB-SNVBAGLBSA-N	236.271	1.892	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC(O)C2)c(Cl)c1	57839089	HCYCQVVHVIFBSU-UHFFFAOYSA-N	228.635	1.429	5	40	BDBB	
N[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O	9970343	XKDUODGOACYEEU-SECBINFHSA-N	249.226	1.031	5	40	BDBB	in-vitro
CCc1cc(=O)c2cc([N+](=O)[O-])ccc2[nH]1	34156006	VGEGFHWVTAAKFB-UHFFFAOYSA-N	218.212	1.999	5	40	BDBB	
O[C@@H]1C[N+]2(Cc3ccccc3)CCC1CC2	520255	VHDQBALIKCWKKJ-SHARSMKWSA-N	218.320	1.788	5	40	BDBB	
CC[C@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1	10091466	CKYAFKJAARQSBD-ZETCQYMHSA-N	237.259	1.705	5	40	BDBB	
NCc1cc(F)c(Br)cc1[N+](=O)[O-]	169800518	LPEQNLGIBXZGAH-UHFFFAOYSA-N	249.039	1.955	5	40	BDBB	
CCC[C@@]1([N+](=O)[O-])CC[C@](C)(O)[C@H](C(C)=O)C1	5731878	LHIKMPKGTVKURF-SDDRHHMPSA-N	243.303	1.942	5	40	BDBB	
O=c1c([N+](=O)[O-])c(O)oc2ccccc12	100169986	SLXZSRMEGWRHRH-UHFFFAOYSA-N	207.141	1.407	5	40	BDBB	
O=c1o[nH]c2c1cnc1cc([N+](=O)[O-])ccc12	100023673	RZTYBHOXBBJYGZ-UHFFFAOYSA-N	231.167	1.578	5	40	BDBB	
CCOc1cc(C(=O)O)c([N+](=O)[O-])cc1OC	4207158	HVTHICJFQQKQDW-UHFFFAOYSA-N	241.199	1.700	5	40	BDBB	
COc1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12	95882075	SKAKTZMQMZMWKS-UHFFFAOYSA-N	220.184	1.445	5	40	BDBB	
CCN(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1	38017892	QYCJCMSQOGIMAY-UHFFFAOYSA-N	238.243	1.501	5	40	BDBB	
O=C(O)[C@H]1N=Nc2ccc([N+](=O)[O-])cc21	199563819	WRKLKSUNRUCEDU-ZETCQYMHSA-N	207.145	1.818	5	40	BDBB	
COc1cc(Cl)c(C(N)=O)cc1[N+](=O)[O-]	143964261	HJKPKVHQEQAZFV-UHFFFAOYSA-N	230.607	1.356	5	40	BDBB	
CCNC(=S)Nc1ccc([N+](=O)[O-])cn1	13838273	LEKOQVIOOCTMDO-UHFFFAOYSA-N	226.261	1.296	5	40	BDBB	
CC1=NN(c2ccccc2)[C@@H](C)[C@H]1[N+](=O)[O-]	96652	LHJCCNGHUYYUFA-ONGXEEELSA-N	219.244	1.916	5	40	BDBB	
C[N+]1(C)C[C@H]2CC[C@H]1[C@@H]1CC[C@@H]2[N+](C)(C)C1	101042053	JUUGPMYMGXCLOV-MQYQWHSLSA-N	224.392	1.710	5	40	BDBB	
O=C(O[C@H]1CCOC1)c1ccccc1[N+](=O)[O-]	107018891	RLFAJFDAXXVXOX-QMMMGPOBSA-N	237.211	1.541	5	40	BDBB	
CCOC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	1598727	FSOMTKWIEYZQMG-ZJUUUORDSA-N	237.211	1.598	5	40	BDBB	
O=[N+]([O-])c1cccc(Cl)c1NCCO	39220099	ZCDAQUOUYFPEKC-UHFFFAOYSA-N	216.624	1.652	5	40	BDBB	
CCCc1nn(C)c(C(=O)OCC)c1[N+](=O)[O-]	1235000	KCQWFZQMMAVRHG-UHFFFAOYSA-N	241.247	1.458	5	40	BDBB	
O=c1[nH]c2cc3ccccc3cc2c(=O)o1	1635486	ZFOZSUKBPRAEMD-UHFFFAOYSA-N	213.192	1.635	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1)OCCOCCO2	228947126	IKCIBHSTGBTMED-UHFFFAOYSA-N	225.200	1.383	5	40	BDBB	
NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-]	97107160	HYOMIEADPVXVLW-UHFFFAOYSA-N	246.675	1.826	5	40	BDBB	
CC1(C)NN=C([N+](=O)[O-])[C@@H]1c1ccccc1	5742376	PUNQLAYZKUPNCC-VIFPVBQESA-N	219.244	1.742	5	40	BDBB	
CCOc1ccc(SN)c([N+](=O)[O-])c1	90481	KVVIODCAYJARDF-UHFFFAOYSA-N	214.246	1.959	5	40	BDBB	
Cc1noc(C)c1Cn1cc([N+](=O)[O-])cn1	24547758	RPSODSGIRVGXBF-UHFFFAOYSA-N	222.204	1.444	5	40	BDBB	
Nc1cc(C(=O)O)c([N+](=O)[O-])cc1F	50029446	WNZMDEZSMNZQMK-UHFFFAOYSA-N	200.125	1.014	5	40	BDBB	
CC(C)(C)[C@@H](CO)Nc1ncccc1[N+](=O)[O-]	78821675	PVGPLBNWWYNIDM-SECBINFHSA-N	239.275	1.809	5	40	BDBB	
O=[N+]([O-])c1cccc(CNC[C@H]2CCCO2)c1	15416797	XJMGDFZISCNQAG-GFCCVEGCSA-N	236.271	1.863	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H]([C@H]2CC=CCC2)N1	13468599	CGLPKGVDOFMFCQ-QXEWZRGKSA-N	224.260	1.267	5	40	BDBB	
CC(C)Oc1nn([C@H](C)C(=O)O)cc1[N+](=O)[O-]	408715728	CYBSLYBHOSMZIJ-ZCFIWIBFSA-N	243.219	1.224	5	40	BDBB	
COc1ccc(/C=C/[N+](=O)[O-])c(OC)c1	56918	NUMXHEUHHRTBQT-AATRIKPKSA-N	209.201	1.951	5	40	BDBB	
Cc1nc([N+](=O)[O-])cn1CC(=O)OC(C)C	376518	YLVHIQDMYCQABO-UHFFFAOYSA-N	227.220	1.051	5	40	BDBB	
Cc1c(C(=O)O)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	19872712	OKNMMXSNHQCDPF-UHFFFAOYSA-N	240.171	1.818	5	40	BDBB	
COc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]	8703242	YSVAEULYDDSWIE-UHFFFAOYSA-N	213.149	1.094	5	40	BDBB	
CC(=O)Oc1c([N+](=O)[O-])ccc2c1OCCO2	5291949	UHDDBOKWVWEUBX-UHFFFAOYSA-N	239.183	1.291	5	40	BDBB	
NCCOc1ccc([N+](=O)[O-])cc1Cl	1717005	VWEDYWYYEBFIBU-UHFFFAOYSA-N	216.624	1.586	5	40	BDBB	
C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](N)C(=O)O	19898195	UGAGINQCEMIKQG-MUWHJKNJSA-N	224.216	1.110	5	40	BDBB	
Cc1cc(OCC(=O)O)cc(C)c1[N+](=O)[O-]	346046	QCAHSDRBXHJRNP-UHFFFAOYSA-N	225.200	1.675	5	40	BDBB	
O=C(O)c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1	51170624	INJFFHQKNQTVIJ-UHFFFAOYSA-N	233.183	1.683	5	40	BDBB	
COc1ccc2[nH]cc(C(=O)O)c2c1[N+](=O)[O-]	96034524	NWLZOVOLNDYNPJ-UHFFFAOYSA-N	236.183	1.783	5	40	BDBB	in-vitro
C[C@H](NCc1cccc([N+](=O)[O-])c1)C(=O)O	35388787	FYMBIKJYQVYYMJ-ZETCQYMHSA-N	224.216	1.158	5	40	BDBB	
CCN(c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)O	225003132	ZUGWXGATSINGMB-QMMMGPOBSA-N	238.243	1.894	5	40	BDBB	
O=[N+]([O-])c1cccc(CO)c1Br	34416710	XWMVYVPXQRUCMG-UHFFFAOYSA-N	232.033	1.850	5	40	BDBB	
COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	146861150	NIIPWVYXFPJSDR-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	
CCOC(=O)CCCCn1cnc([N+](=O)[O-])c1	96416330	DNJOVAXHZVWEIA-UHFFFAOYSA-N	241.247	1.525	5	40	BDBB	
Cc1c(O)nc(-c2cccc([N+](=O)[O-])c2)oc1=O	16265021	SAIVDAJLBZTVQD-UHFFFAOYSA-N	248.194	1.624	5	40	BDBB	
CC(=O)n1cnc2ccc([N+](=O)[O-])cc21	3163438	CQVBKEOMYSZGCE-UHFFFAOYSA-N	205.173	1.605	5	40	BDBB	
C[N+](C)(C)[C@H](c1ccccc1)P(=O)(O)O	6519637	CSLMBGKJFFHYAQ-JTQLQIEISA-O	230.224	1.569	5	40	BDBB	
CC(C)(CO)NCc1cccc([N+](=O)[O-])c1	6883174	ZBBFFPFOROZLSI-UHFFFAOYSA-N	224.260	1.455	5	40	BDBB	
CC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1	3515163	AKZFRDUHMMCRMY-UHFFFAOYSA-N	238.243	1.498	5	40	BDBB	
Cc1n[nH]c(-c2ccc([N+](=O)[O-])cc2)n1	40164186	IISXMUWXHRLGMT-UHFFFAOYSA-N	204.189	1.688	5	40	BDBB	
C[C@@H](CO)NC(=O)Nc1cccc([N+](=O)[O-])c1	35200080	KOJFWKHQILAPNP-ZETCQYMHSA-N	239.231	1.097	5	40	BDBB	
c1ccc2c(c1)nc1c3nonc3ncn21	32826	POHZAURHTBHGDS-UHFFFAOYSA-N	211.184	1.419	5	40	BDBB	
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCC1	253002	WFYRTMMCIGPRMC-YVECIDJPSA-N	210.341	1.776	5	40	BDBB	
O=C(O)COc1ccc([N+](=O)[O-])c2cccnc12	37489493	QYEJMQBTJAWJIM-UHFFFAOYSA-N	248.194	1.606	5	40	BDBB	in-vitro
Nc1ncnc(NCc2ccco2)c1[N+](=O)[O-]	3912526	PKXHMQNSKUWLGZ-UHFFFAOYSA-N	235.203	1.172	5	40	BDBB	
O=C(NCCCO)Nc1cccc([N+](=O)[O-])c1	18176902	XLSKEIYPMRSIFF-UHFFFAOYSA-N	239.231	1.099	5	40	BDBB	
Cc1ccccc1-c1c([N+](=O)[O-])cnn1CCO	96527490	OXVNPYOFMHGDOE-UHFFFAOYSA-N	247.254	1.759	5	40	BDBB	
NC(=O)CCCOc1ccccc1[N+](=O)[O-]	33433678	XLDACNKJXAPRKL-UHFFFAOYSA-N	224.216	1.239	5	40	BDBB	
CCOc1c(C=O)cc(OC)cc1[N+](=O)[O-]	225273817	FGYPPLHLUUMASJ-UHFFFAOYSA-N	225.200	1.815	5	40	BDBB	
O=C(O)c1cn[nH]c1Cc1ccccc1[N+](=O)[O-]	71980909	CUYQFLACUPKEBE-UHFFFAOYSA-N	247.210	1.607	5	40	BDBB	
Cn1nccc1-c1ccccc1[N+](=O)[O-]	91696007	HHTRZPPRLKTUMB-UHFFFAOYSA-N	203.201	1.995	5	40	BDBB	
NC(=S)c1ccc([N+](=O)[O-])cc1Cl	36533322	WWEACOALXBAQET-UHFFFAOYSA-N	216.649	1.882	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1O	3172332	YUIDCTJTNTXYFM-UHFFFAOYSA-N	218.552	1.862	5	40	BDBB	
O=C1c2cc([N+](=O)[O-])ccc2SC2=NCCN12	55513	HNVAZHADJCCCSV-UHFFFAOYSA-N	249.251	1.512	5	40	BDBB	
C[n+]1ccn(Cc2ccc([N+](=O)[O-])cc2)c1	1673645	GZWMLNWJKSOARQ-UHFFFAOYSA-N	218.236	1.269	5	40	BDBB	
CN(C)c1c([N+](=O)[O-])c(=O)oc2ccccc12	3895940	QWKFOYWSBKPTHC-UHFFFAOYSA-N	234.211	1.767	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2ccc(Cl)cn2)c1	90345828	POAUVAZSLDHJHT-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
C[N@@+]12CCC[C@@H]1[C@H]1C[C@H](C2)c2cccc(=O)n2C1	263586040	PDBKVEXJATVUPI-RKCSVJPLSA-N	245.346	1.574	5	40	BDBB	biogenic
C[C@H](Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)O	5929896	MTVSAEYQYDFDBZ-ZCFIWIBFSA-N	246.244	1.241	5	40	BDBB	
O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCNC1	42775672	MHTLBDONZKAGML-MRVPVSSYSA-N	242.662	1.989	5	40	BDBB	
O=[N+]([O-])C[C@H](SCCO)c1ccc(O)cc1	2474407	PNNYUNVGSFVFRD-JTQLQIEISA-N	243.284	1.436	5	40	BDBB	
CCOc1ccc(-c2cc(N)[nH]n2)cc1[N+](=O)[O-]	5525830	BMJJGQZYDDBLMM-UHFFFAOYSA-N	248.242	1.966	5	40	BDBB	
O=[N+]([O-])c1ncccc1NCCN1CCCC1	5389866	ICTPDFMBWUIJCW-UHFFFAOYSA-N	236.275	1.498	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](O)C2)c(F)c1	32923275	ONZKPOIEYFXTQB-VIFPVBQESA-N	240.234	1.695	5	40	BDBB	
C[N+](C)(C)Cc1cnc2ccc(F)cn12	94992574	JWRUXRYYKQMKDM-UHFFFAOYSA-N	208.260	1.680	5	40	BDBB	
CNC(=S)NNc1ccc([N+](=O)[O-])cc1	4829129	HOYCXBAZZYFVNL-UHFFFAOYSA-N	226.261	1.016	5	40	BDBB	
C[N+](C)(C)Cc1n[nH]c(=O)c2ccccc12	1395663	GEWCCYQXZOKJRF-UHFFFAOYSA-O	218.280	1.129	5	40	BDBB	
C/C(=C\c1cc([N+](=O)[O-])ccc1O)CO	40545419	AOFZYHJHUFXHJE-QPJJXVBHSA-N	209.201	1.696	5	40	BDBB	
CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	5536816	BTBHLIOYIHLJOW-UHFFFAOYSA-N	239.187	1.770	5	40	BDBB	
CC(=O)OCc1cc2c(cc1[N+](=O)[O-])OCO2	1649302	SRYOQHSXNKSURI-UHFFFAOYSA-N	239.183	1.387	5	40	BDBB	
O=c1ccccn1-c1ccc([N+](=O)[O-])cc1	44460306	GHNIJTDEWVCPBV-UHFFFAOYSA-N	216.196	1.746	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1N1CCCO1	195560370	NAPNEHYQTRVSNF-UHFFFAOYSA-N	209.205	1.440	5	40	BDBB	
O=[N+]([O-])c1cccc2c1nc1ccccc1[n+]2[O-]	5519651	PHABEUFGWJWKRX-UHFFFAOYSA-N	241.206	1.930	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1O	165666095	DCDLQSPXADOKBJ-UHFFFAOYSA-N	231.591	1.740	5	40	BDBB	
CNc1nc(Cl)nc(C)c1[N+](=O)[O-]	4087420	PXSQHPDRGYDOGZ-UHFFFAOYSA-N	202.601	1.388	5	40	BDBB	
CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cn1	58245141	RSMFUQXVWIRUMF-JTQLQIEISA-N	225.248	1.563	5	40	BDBB	
COc1cc([N+](=O)[O-])c(CC(=O)O)cc1F	169800310	WWCTZJLHZWRRQT-UHFFFAOYSA-N	229.163	1.370	5	40	BDBB	
O=C(O)CCSc1ncccc1[N+](=O)[O-]	19442396	PVTGTBLGUXJRAU-UHFFFAOYSA-N	228.229	1.557	5	40	BDBB	
COc1ccc(F)c([N+](=O)[O-])c1C(=O)O	1857791417	GFOYWYIHMQIGLN-UHFFFAOYSA-N	215.136	1.441	5	40	BDBB	
O=C1CCC[C@@H]1[C@H](C[N+](=O)[O-])C(F)(F)F	43464389	SIEJXCPEXVPLAQ-RITPCOANSA-N	225.166	1.811	5	40	BDBB	
COc1cc(F)c([N+](=O)[O-])c(-n2ccnc2)c1	92583356	KEGVMKQPUCBSEC-UHFFFAOYSA-N	237.190	1.928	5	40	BDBB	
CCOC(=O)c1c(C)oc(=O)c([N+](=O)[O-])c1C	1665847	KXASAKVOYQQSMB-UHFFFAOYSA-N	241.199	1.342	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	22124607	IRKCYPMJNYIJOB-UHFFFAOYSA-N	224.216	1.447	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c2nccnc2c1	217718188	CHEJCTSHHFWKML-UHFFFAOYSA-N	233.183	1.325	5	40	BDBB	
NCc1cccc([N+](=O)[O-])c1Br	169800449	CCGZCZWPFBTHPQ-UHFFFAOYSA-N	231.049	1.816	5	40	BDBB	
CCOC(=O)C(=O)Cc1ccccc1[N+](=O)[O-]	104140224	AKWXORMMOJRIBI-UHFFFAOYSA-N	237.211	1.270	5	40	BDBB	
O=C1CCCN1C(=O)c1ccccc1[N+](=O)[O-]	264402	MXJHINFPMQLYCL-UHFFFAOYSA-N	234.211	1.357	5	40	BDBB	
O=C(NCC1CC1)c1ccc([N+](=O)[O-])cc1	26202749	NADCXRFHDGYXBD-UHFFFAOYSA-N	220.228	1.735	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])OCCO2	4837597	CISZIDGSNBVSLB-UHFFFAOYSA-N	226.144	1.274	5	40	BDBB	
O=C(O)C1(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	67801570	SDRFNFYHSBDMFV-UHFFFAOYSA-N	235.195	1.642	5	40	BDBB	
C[C@H]1NC(=O)N(c2ccccc2[N+](=O)[O-])C1=O	40546392	DUOJQRDGZRJPRD-ZCFIWIBFSA-N	235.199	1.040	5	40	BDBB	
O=[N+]([O-])c1cnn2ccc(C(F)F)nc12	238853377	JNJFREQXMFFEPO-UHFFFAOYSA-N	214.131	1.575	5	40	BDBB	
COc1cc(CO)c([N+](=O)[O-])c(OC)c1OC	1571046	QUYJMJKAYOXDOT-UHFFFAOYSA-N	243.215	1.113	5	40	BDBB	
Cc1nnc2nc3c(nn12)c1ccccc1n3C	1731280	UXHOLPARXQTOFH-UHFFFAOYSA-N	238.254	1.473	5	40	BDBB	
NNCc1ccc(Cl)c([N+](=O)[O-])c1	199544892	LLXRWHJLXPPDKM-UHFFFAOYSA-N	201.613	1.212	5	40	BDBB	
C[C@@H](N)c1n[nH]c(-c2ccccc2[N+](=O)[O-])n1	95534643	HBRCLAKFLVTKRV-ZCFIWIBFSA-N	233.231	1.400	5	40	BDBB	
O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1F	37285941	RTKDILVULFKIMN-UHFFFAOYSA-N	224.191	1.626	5	40	BDBB	
O=C1CCCC[C@H]1n1ccc([N+](=O)[O-])n1	75110644	CFIXFLHFRWDSGP-SSDOTTSWSA-N	209.205	1.476	5	40	BDBB	in-vitro
O=Cc1c(N2CCOCC2)cccc1[N+](=O)[O-]	95081116	XWQANXAGUSPWGR-UHFFFAOYSA-N	236.227	1.244	5	40	BDBB	
Cc1n[nH]c(C)c1CNc1ccc([N+](=O)[O-])cn1	58307403	ATNQUMWPIBHQKR-UHFFFAOYSA-N	247.258	1.942	5	40	BDBB	
CCOC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1	49374313	HAPKSNABPNGVAR-QMMMGPOBSA-N	238.243	1.958	5	40	BDBB	
O=C1NC2(CCC2)N[C@H]1c1cccc([N+](=O)[O-])c1	90661479	JXISYQMKVPPPJF-JTQLQIEISA-N	247.254	1.236	5	40	BDBB	
O=C(O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	32627523	KZHHALAAVBNCLT-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	in-vitro
Cc1ncsc1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	79108873	NWYPTVQDUYRLKP-WDSKDSINSA-N	227.245	1.055	5	40	BDBB	
C[C@@H]1O[C@H]1COC(=O)c1ccc([N+](=O)[O-])cc1	3644598	BPOPJHHLTDEVBN-XVKPBYJWSA-N	237.211	1.539	5	40	BDBB	
CS[C@H]1C(=O)Nc2ccc([N+](=O)[O-])cc21	104202131	PJHFXDUFTXOAMP-MRVPVSSYSA-N	224.241	1.951	5	40	BDBB	
COC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-]	29753842	MCILWQJVQABHJC-UHFFFAOYSA-N	224.216	1.447	5	40	BDBB	
O=C(O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	3887756	IKTICLQCJRBVRS-UHFFFAOYSA-N	222.200	1.867	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccccc1N1CC[C@@H](O)C1	61707395	JDWQVNNJWQAGHE-MRVPVSSYSA-N	208.217	1.166	5	40	BDBB	
COc1ccc2c(O)ncnc2c1[N+](=O)[O-]	888088124	MPFNGFMMLVUHMP-UHFFFAOYSA-N	221.172	1.252	5	40	BDBB	
COC(C[N+](=O)[O-])(OC)c1ccccc1	339691	FRHUCZZODGXCMX-UHFFFAOYSA-N	211.217	1.409	5	40	BDBB	
Cc1ccc(Cn2cnnc2[N+](=O)[O-])cc1	44973229	JLEFWQYDNHHAEU-UHFFFAOYSA-N	218.216	1.543	5	40	BDBB	
C[N+]1(C)C[C@H]2CC[C@H]1[C@@H]1CC[C@H]2[N+](C)(C)C1	101042046	JUUGPMYMGXCLOV-SYQHCUMBSA-N	224.392	1.710	5	40	BDBB	
Cc1nn([C@@H](C)CC(=O)O)cc1[N+](=O)[O-]	408717019	UWGGOYWJJHIHAI-YFKPBYRVSA-N	213.193	1.135	5	40	BDBB	
CN(CCCC(=O)O)c1cccc([N+](=O)[O-])c1	35367388	SCTZSTKUXNQCML-UHFFFAOYSA-N	238.243	1.896	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)N(C)OC	40464807	GDSQNSVAMLPFIB-UHFFFAOYSA-N	240.215	1.237	5	40	BDBB	
COc1ccc(C[N+]23CCN(CC2)CC3)cc1	387542	HUYWQBGCVZLVSM-UHFFFAOYSA-N	233.335	1.341	5	40	BDBB	
O=c1c2ccccc2nc2ccc(Cl)nn12	36433	HLPUHRDKWNPCCO-UHFFFAOYSA-N	231.642	1.896	5	40	BDBB	
O=[N+]([O-])c1cccc([C@H]2NNC(=S)S2)c1	114502	GZGSKAPWVBYMNY-ZETCQYMHSA-N	241.297	1.719	5	40	BDBB	
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCC1	4184575	WFYRTMMCIGPRMC-MROQNXINSA-N	210.341	1.776	5	40	BDBB	
CNc1ccc(C(=O)N(C)OC)cc1[N+](=O)[O-]	12538235	ZRHAFKWNPFEQPV-UHFFFAOYSA-N	239.231	1.270	5	40	BDBB	
Cc1ccc(N2CCN(C)CC2)cc1[N+](=O)[O-]	116439565	ADKNCFVNZFZEFG-UHFFFAOYSA-N	235.287	1.655	5	40	BDBB	
CCN(CCN)Cc1cccc([N+](=O)[O-])c1	79420702	UTKPPZARSATDLH-UHFFFAOYSA-N	223.276	1.375	5	40	BDBB	
O=[N+]([O-])[C@H]1C[C@@H]1c1nc(-c2ccccn2)no1	78773847	KXLAALQGXPRWOC-XPUUQOCRSA-N	232.199	1.264	5	40	BDBB	
CC(C)(C)c1cc2n(n1)C1=NCC[N@@+]1(C)C=N2	247694026	YCLMSDNXVONSGO-KRWDZBQOSA-N	232.311	1.518	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	34415462	HAULHUKZHBBGEM-UHFFFAOYSA-N	208.217	1.863	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1)C=CS2(=O)=O	149435672	DBSOUBWMAOIBPM-UHFFFAOYSA-N	211.198	1.353	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N	141130114	SVKISRAJLSOKLR-UHFFFAOYSA-N	230.607	1.617	5	40	BDBB	
O=[N+]([O-])c1cccc(CNC2COC2)c1	71792170	OUVXUNHUNFPPQR-UHFFFAOYSA-N	208.217	1.083	5	40	BDBB	
Cc1cc([N+](=O)[O-])nn1Cc1ccn(C(C)C)n1	193874567	WJRGGUYEQXQJQC-UHFFFAOYSA-N	249.274	1.925	5	40	BDBB	
COc1c(C(N)=O)cc([N+](=O)[O-])c(C)c1C	57339781	YHFUKCSVTNRCCH-UHFFFAOYSA-N	224.216	1.319	5	40	BDBB	
O=Cc1ccc2ncccc2c1[N+](=O)[O-]	26439113	PLPBGGBSIOLZOJ-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	
CC1CCN(c2c([N+](=O)[O-])ncn2C)CC1	4311983	IMAAZLIHNFONKW-UHFFFAOYSA-N	224.264	1.565	5	40	BDBB	
O=Cc1cncn1Cc1ccc([N+](=O)[O-])cc1	78447308	XPSKUOKYICJVPJ-UHFFFAOYSA-N	231.211	1.652	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CCCNC2)nc1	40434895	FCSQFWOMDYYMPS-SECBINFHSA-N	237.259	1.368	5	40	BDBB	
O=[N+]([O-])c1cccc2c(N3CC3)cnnc12	4758416	OKSWAVTWOUSYOX-UHFFFAOYSA-N	216.200	1.358	5	40	BDBB	
Cc1ccc(-c2nnn[nH]2)cc1[N+](=O)[O-]	31717285	FUERVLXXKBAATR-UHFFFAOYSA-N	205.177	1.083	5	40	BDBB	
Cc1cc(OCC(N)=O)c([N+](=O)[O-])cc1C	216907999	SOOHFHUZFPOKBX-UHFFFAOYSA-N	224.216	1.076	5	40	BDBB	
C[N+]1(C[C@H]2CCCCC2=O)CCOCC1	544789	JTNNLTBPOWHFHZ-LLVKDONJSA-N	212.313	1.223	5	40	BDBB	
NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	57351646	JNOMVYYUSRGBFY-UHFFFAOYSA-N	200.581	1.347	5	40	BDBB	
Cc1c(C[N+](C)(C)C)n2ccccc2[n+]1C	3407360	FJVBKUIIGOJSSE-UHFFFAOYSA-N	219.332	1.278	5	40	BDBB	
CC[C@@H](C)Nc1ncnc(N)c1[N+](=O)[O-]	4059564	QLKQFKNRTQZULE-RXMQYKEDSA-N	211.225	1.177	5	40	BDBB	
NC(=O)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	8053541	DVRHRWKWAWAVOL-VIFPVBQESA-N	249.270	1.297	5	40	BDBB	
Cc1ccn(Cc2ccon2)c(=O)c1[N+](=O)[O-]	84247991	BLDMEZURTUDVSV-UHFFFAOYSA-N	235.199	1.101	5	40	BDBB	
O=[N+]([O-])c1ccc(CSCCO)cc1	5715209	XGGZULGHPXYMOP-UHFFFAOYSA-N	213.258	1.820	5	40	BDBB	
CC(=O)Oc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	1693300	UVGXMMKJDGQAEB-UHFFFAOYSA-N	242.143	1.134	5	40	BDBB	
Cc1ncsc1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	79108881	NWYPTVQDUYRLKP-NTSWFWBYSA-N	227.245	1.055	5	40	BDBB	
COC[C@@H](C)Nc1ncccc1[N+](=O)[O-]	19980475	CTQNNQARGWFOQS-SSDOTTSWSA-N	211.221	1.437	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1-n1cncn1	70163662	QKZILTYNLOHILE-UHFFFAOYSA-N	208.152	1.315	5	40	BDBB	
CCOC(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-]	82046653	VOFZDDBVIFBHIJ-UHFFFAOYSA-N	239.183	1.470	5	40	BDBB	
Nc1cnccc1C(=O)c1cccc([N+](=O)[O-])c1	199711960	FGAANEODRMYWQG-UHFFFAOYSA-N	243.222	1.803	5	40	BDBB	
O=c1cc2oc3cc(=O)[nH]c4ccc([nH]1)c2c43	5531201	PEMNBCCQKXZNGW-UHFFFAOYSA-N	226.191	1.554	5	40	BDBB	
CN(CC(=O)O)c1ccc([N+](=O)[O-])cc1F	20474682	OQBBVIRVTTVWNR-UHFFFAOYSA-N	228.179	1.255	5	40	BDBB	
COc1cc([N+](=O)[O-])c(OC)c2c1OCO2	35327604	IJTDXDMPPIHKCQ-UHFFFAOYSA-N	227.172	1.341	5	40	BDBB	
O=C(O)c1cc(F)c(F)c([N+](=O)[O-])c1F	16158127	ZFJAWLRXFKLNKV-UHFFFAOYSA-N	221.090	1.710	5	40	BDBB	in-vitro
CCS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]	33606911	VFDSPCPEJJEKRS-UHFFFAOYSA-N	245.256	1.397	5	40	BDBB	
O=[N+]([O-])[C@@H]1C[C@@H]1c1nc(-c2ccccn2)no1	78773853	KXLAALQGXPRWOC-POYBYMJQSA-N	232.199	1.264	5	40	BDBB	
CC(C)N(CCN)Cc1ccc([N+](=O)[O-])cc1	79420712	BIYUUFNOSAHZEH-UHFFFAOYSA-N	237.303	1.764	5	40	BDBB	
CCc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1	226316004	ZJEDTXJIBDDRHA-UHFFFAOYSA-N	249.314	1.909	5	40	BDBB	
CCOC(=O)Cn1cc(Cl)c([N+](=O)[O-])n1	1300495	PJYGVEZLPZKIHO-UHFFFAOYSA-N	233.611	1.008	5	40	BDBB	
Nc1cc(C(F)(F)F)cc([N+](=O)[O-])c1N	4058928	WQRYZWVAWJMKPB-UHFFFAOYSA-N	221.138	1.778	5	40	BDBB	in-vitro
C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CCN1	15443287	VOCWNIASSFCCMH-MRVPVSSYSA-N	239.250	1.532	5	40	BDBB	
COc1cc(NC(C)=O)ccc1[N+](=O)[O-]	34139747	ROIFYZDOQOPGNG-UHFFFAOYSA-N	210.189	1.562	5	40	BDBB	in-vitro
CC(C)(N)CNc1ccccc1[N+](=O)[O-]	71893764	KPSCUJFWZHWWOB-UHFFFAOYSA-N	209.249	1.744	5	40	BDBB	
CCOC(=O)c1cnc2ccc([N+](=O)[O-])cn12	89202028	UMWNBGBLWMOELE-UHFFFAOYSA-N	235.199	1.419	5	40	BDBB	
CCN1C(=O)Cc2ccc([N+](=O)[O-])cc2C1=O	256052440	NIKSXGBYTBKTET-UHFFFAOYSA-N	234.211	1.140	5	40	BDBB	
O=[N+]([O-])c1cnccc1-c1ccncc1[N+](=O)[O-]	15781687	YWAJLBQBSMYGII-UHFFFAOYSA-N	246.182	1.960	5	40	BDBB	
CN(C)CCCOc1ccc([N+](=O)[O-])cn1	61997506	AYHJQPSQEULXRZ-UHFFFAOYSA-N	225.248	1.320	5	40	BDBB	
O=C(NCC1CC1)c1ccc([N+](=O)[O-])o1	44231892	RXMCARVWDVZYPT-UHFFFAOYSA-N	210.189	1.328	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1O[C@@H]1CCNC1	14632285	DGLKVXPUUSOJFV-SECBINFHSA-N	238.243	1.344	5	40	BDBB	
Cc1ncc([N+](=O)[O-])n1CC(=O)OC(C)C	68933661	ZLRSPYDMIFETQV-UHFFFAOYSA-N	227.220	1.051	5	40	BDBB	
CCOC(=O)c1cc(Cl)ncc1[N+](=O)[O-]	72190671	VXTKSUGJWMHWKD-UHFFFAOYSA-N	230.607	1.820	5	40	BDBB	
Cc1nnc(-c2ccccc2[N+](=O)[O-])o1	95951672	LRWVJCBSTHPQNV-UHFFFAOYSA-N	205.173	1.953	5	40	BDBB	
c1ccc2c(c1)ccc1nn3nnnc3nc12	5604971	KDSUSTCEMCEPGD-UHFFFAOYSA-N	222.211	1.221	5	40	BDBB	
CCOc1nc(C)c([N+](=O)[O-])c(OCC)n1	1581316	HZAXPJJFHFQYMY-UHFFFAOYSA-N	227.220	1.491	5	40	BDBB	
O=[N+]([O-])[C@H]1CC=CN[C@@H]1c1ccccc1	1700520	XYBPOQOEIHCJLO-WDEREUQCSA-N	204.229	1.880	5	40	BDBB	
C[C@@H](Cc1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	2519383	PBIZBFZIPYSPNN-ZETCQYMHSA-N	210.189	1.803	5	40	BDBB	
COC(=O)c1ccc(-n2cccn2)c([N+](=O)[O-])c1	1397289	AXPWKQIABGEOOK-UHFFFAOYSA-N	247.210	1.567	5	40	BDBB	
CCOc1cc(Cl)c(C(N)=O)cc1[N+](=O)[O-]	225726672	RIFLZCXCVJEFOK-UHFFFAOYSA-N	244.634	1.746	5	40	BDBB	
CC(C)(C)c1c([N+](=O)[O-])cnc(O)c1[N+](=O)[O-]	675081803	MPOGGBVZUVCNEF-UHFFFAOYSA-N	241.203	1.901	5	40	BDBB	
Cc1[nH]c2ccc(F)cc2c(=O)c1[N+](=O)[O-]	44628773	SYCGSPQBESHXBL-UHFFFAOYSA-N	222.175	1.884	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2cc[nH]c2c1	3669529	ZDIBNKJWLUKNHH-UHFFFAOYSA-N	207.145	1.984	5	40	BDBB	in-vitro
N=C1NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S1	4311668	KQCJDRGWZYGLDG-VMPITWQZSA-N	249.251	1.733	5	40	BDBB	
OCC1=CC[N+]2(Cc3ccccc3)CC[C@H](O)[C@@H]12	6240283	MPDVSGSUYGUBLA-QMRHZFGWSA-N	246.330	1.069	5	40	BDBB	
CCOC(=O)/C=C/c1ccc(O)c([N+](=O)[O-])c1	35741597	XJVLXEOZJDFGOB-GQCTYLIASA-N	237.211	1.877	5	40	BDBB	
Cc1nn(CCC(=O)O)c(C(F)F)c1[N+](=O)[O-]	408715687	CLIPQGZPRABRMP-UHFFFAOYSA-N	249.173	1.512	5	40	BDBB	
O=[N+]([O-])c1cnn(-c2nc3ccccc3[nH]2)c1	40216555	CSMAYUNTXQQIOV-UHFFFAOYSA-N	229.199	1.657	5	40	BDBB	
Nc1nc(NCc2ccccc2)ncc1[N+](=O)[O-]	48543819	XBVJXBKFIRBQJX-UHFFFAOYSA-N	245.242	1.579	5	40	BDBB	
O=[N+]([O-])c1cc2nccnc2cc1[N+](=O)[O-]	5280674	MRCFKNAXRGITFV-UHFFFAOYSA-N	220.144	1.446	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1SC1=NCCS1	13216962	SZOFRUVPZXTIAA-UHFFFAOYSA-N	244.301	1.523	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])ccc1NCCCO	48013136	CDYOXWKUDGTJFZ-UHFFFAOYSA-N	240.215	1.087	5	40	BDBB	
Cc1ncc([N+](=O)[O-])c(N)c1Br	98175567	LENIDTMLZBHDCR-UHFFFAOYSA-N	232.037	1.643	5	40	BDBB	
CCCn1nc([N+](=O)[O-])cc1Br	953126723	XAIPJMAFILYOEW-UHFFFAOYSA-N	234.053	1.964	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC[C@@H](CCO)C2)cc1	78366041	HPGXTVMKPMMTIG-JTQLQIEISA-N	236.271	1.804	5	40	BDBB	
C[N+]1(C)CCO[C@@](O)(c2ccc(F)cc2)C1	162678	LPMKRPCHDMXLAH-GFCCVEGCSA-N	226.271	1.077	5	40	BDBB	
CS(=O)(=O)[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1	96510118	PLZYWCRLGTYBFP-NXEZZACHSA-N	241.268	1.495	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@H]([C@H]2C[C@H]3C=C[C@H]2C3)N1	238854112	MURDSWGYWHGJMH-NDCWEZFPSA-N	236.271	1.123	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(Br)n1	675031505	LQWBGPOBBPPENJ-UHFFFAOYSA-N	220.026	1.574	5	40	BDBB	
CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cn1	75094632	WUFVQDFUVXHJLB-VIFPVBQESA-N	237.259	1.463	5	40	BDBB	
O=C(Nc1ncc([N+](=O)[O-])s1)C(F)F	4712809	QYDQZAUNZDQKMX-UHFFFAOYSA-N	223.160	1.255	5	40	BDBB	
Cc1c([N+](=O)[O-])c2onc(C)c2[n+]([O-])c1C	5921232	CPSCKCLVJBWBIV-UHFFFAOYSA-N	223.188	1.295	5	40	BDBB	
CC(C)(C)c1cc2n(n1)C1=NCC[N+]1(C)C=N2	2148904	YCLMSDNXVONSGO-UHFFFAOYSA-N	232.311	1.518	5	40	BDBB	
C[N+](C)(CCO)CCCCOc1ccccc1	3205221	LDPKFDMXMNTIKZ-UHFFFAOYSA-N	238.351	1.914	5	40	BDBB	
O=[N+]([O-])c1cnc(Br)c([N+](=O)[O-])c1	21981881	DTSYPWHCOVBOLN-UHFFFAOYSA-N	247.992	1.661	5	40	BDBB	
O=[N+]([O-])c1ccc(Cl)c2c(O)ncnc12	95863224	IUHHPBONKCSYOJ-UHFFFAOYSA-N	225.591	1.897	5	40	BDBB	
C=CS(=O)(=O)c1ccccc1[N+](=O)[O-]	35322395	NKCACQLHTNZVSX-UHFFFAOYSA-N	213.214	1.512	5	40	BDBB	
Cc1cc(=O)c2c(ccc3c(=O)cc(C)[nH]c32)[nH]1	5503880	FEGCUBWCNYCUCH-UHFFFAOYSA-N	240.262	1.986	5	40	BDBB	
Cn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cn1	14123036	XFRUHMOAIKVIPM-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
O=C(O)c1cc2nc[nH]c2cc1[N+](=O)[O-]	34295844	CHISOTCWJMFPPF-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc(CO)o2)cc1	8395174	CMNZUERSEXJJGS-UHFFFAOYSA-N	221.172	1.137	5	40	BDBB	
CCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	3159673	OLOUZLFUNQCQEA-UHFFFAOYSA-N	248.238	1.991	5	40	BDBB	
O=C(O)c1sc([N+](=O)[O-])cc1OC(F)F	96511078	QFMMSPNVTQHPFS-UHFFFAOYSA-N	239.155	1.956	5	40	BDBB	
Cc1c([N+](=O)[O-])c(Br)nn1C	5003710	RTXKNQIPFOHRQE-UHFFFAOYSA-N	220.026	1.399	5	40	BDBB	
CC(C)Cc1nn(C)c(C(=O)O)c1[N+](=O)[O-]	4294415	GIYYGHMYUNYGKY-UHFFFAOYSA-N	227.220	1.225	5	40	BDBB	
CC(=O)Nc1ccc(-c2c[nH]cn2)cc1[N+](=O)[O-]	4728698	CNMVOBDYQHOUCH-UHFFFAOYSA-N	246.226	1.943	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(NC(C)(CO)CO)c1	95965325	CWBIPOYQDATZGS-UHFFFAOYSA-N	240.259	1.058	5	40	BDBB	
N[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1	67800828	MMQZVQUWXQUDJP-ZETCQYMHSA-N	225.223	1.271	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2cc(Cl)cn2)nc1	12396586	QJSDVPSGRRYVEK-UHFFFAOYSA-N	224.607	1.829	5	40	BDBB	
Cc1nn2c([N+](=O)[O-])c(Cl)nc2s1	1317705	ZWELUDHOLGIEGV-UHFFFAOYSA-N	218.625	1.661	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])cc2cccnc12	26440698	LBLXXDILPCJCBI-UHFFFAOYSA-N	202.169	1.956	5	40	BDBB	
Nc1ncc([N+](=O)[O-])c(N2CCCCCC2)n1	5445325	HMAALAMLNLPGHM-UHFFFAOYSA-N	237.263	1.347	5	40	BDBB	
O=C(O)[C@H]1N=Nc2c1cccc2[N+](=O)[O-]	199806941	UIWJMHVXWMOUKA-ZETCQYMHSA-N	207.145	1.818	5	40	BDBB	
Cc1cc(Cl)nc(-n2cc([N+](=O)[O-])cn2)n1	95095494	UHXUNGQYOBOEBG-UHFFFAOYSA-N	239.622	1.532	5	40	BDBB	
[O-][n+]1c2ccccc2[n+]([O-])c2cc(Cl)ccc21	5699014	NFCIQNJPHBEHLU-UHFFFAOYSA-N	246.653	1.913	5	40	BDBB	
O=[N+]([O-])c1ccccc1CN1CCC[C@H]1CO	50114090	VEKCOKWUNDVROA-NSHDSACASA-N	236.271	1.552	5	40	BDBB	
C[n+]1cccc2c(=O)c3ccccc3oc21	1610819	SAESJUWCURJZTD-UHFFFAOYSA-N	212.228	1.771	5	40	BDBB	
O=[N+]([O-])c1c(NC2CC2)nc2sccn12	9198063	WUYGMPYNVZIKNQ-UHFFFAOYSA-N	224.245	1.878	5	40	BDBB	
CNC(=O)c1cc2cccc([N+](=O)[O-])c2oc1=O	4770675	DKQMMXOXGZYUBE-UHFFFAOYSA-N	248.194	1.061	5	40	BDBB	
COC(=O)CCC[N+]1(C)CCCCC1	45221399	LVRLIBKKHNKNAL-UHFFFAOYSA-N	200.302	1.570	5	40	BDBB	
O=[N+]([O-])c1ccc(NCCCCCO)nc1	20324385	JJCHORLQODYWRU-UHFFFAOYSA-N	225.248	1.564	5	40	BDBB	
NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	20136247	WAOPVQZYSMEWEE-UHFFFAOYSA-N	232.195	1.954	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2cc(CCO)on2)c1	585656280	BRJIGKVRCJZTPU-UHFFFAOYSA-N	234.211	1.785	5	40	BDBB	in-vitro
Nc1nc(NC2CCCCC2)ncc1[N+](=O)[O-]	4822314	HBCSXHJLFASOIQ-UHFFFAOYSA-N	237.263	1.712	5	40	BDBB	
COc1ccc(Cn2ccnn2)cc1[N+](=O)[O-]	128069896	CXBSAFKQNKCNJE-UHFFFAOYSA-N	234.215	1.243	5	40	BDBB	
CON(C)[S@@](=O)c1ccc([N+](=O)[O-])cc1	6375452	RGESYEFDEYCKJA-OAHLLOKOSA-N	230.245	1.111	5	40	BDBB	
CS(=O)(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	96510120	PLZYWCRLGTYBFP-VHSXEESVSA-N	241.268	1.495	5	40	BDBB	
C[C@@H](C(=O)O)N(C)c1cccc([N+](=O)[O-])c1	54054765	QBQBHXALYMHMHL-ZETCQYMHSA-N	224.216	1.504	5	40	BDBB	
CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	3897158	GPHHJHUXERLRCY-UHFFFAOYSA-N	236.187	1.942	5	40	BDBB	
Cc1nn(CN2CCCCC2)c(C)c1[N+](=O)[O-]	20028556	NWVVYNOOLSRCHI-UHFFFAOYSA-N	238.291	1.852	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H](C2CCCC2)N1	13992132	FBHUYEVWXVQWFZ-PSASIEDQSA-N	212.249	1.101	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc(Cl)cc(CO)c1O	34651086	GPKWEXOAODIYBU-UHFFFAOYSA-N	203.581	1.446	5	40	BDBB	
Cc1nn(C)c(NCC2CCC2)c1[N+](=O)[O-]	36749331	LBBVZZBUFRNKQS-UHFFFAOYSA-N	224.264	1.849	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1N1CCCCCC1	5026694	ZNPVMEVXEWHZAU-UHFFFAOYSA-N	224.264	1.709	5	40	BDBB	
Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1	15443378	IDOBTERZRKDEFW-UHFFFAOYSA-N	207.233	1.777	5	40	BDBB	
CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	39099851	IAEHMOJGQYVUOX-UHFFFAOYSA-N	212.161	1.902	5	40	BDBB	
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(Cl)n1	74942406	WBSTVUMPXZWEGS-UHFFFAOYSA-N	230.611	1.305	5	40	BDBB	
O=[N+]([O-])C[C@H](c1cccs1)n1cccn1	1888906511	CTLDMTWKGUGXGX-MRVPVSSYSA-N	223.257	1.811	5	40	BDBB	
C[n+]1c2ccccc2nc2c(O)cccc21	5699019	YNCMLFHHXWETLD-UHFFFAOYSA-O	211.244	1.918	5	40	BDBB	in-vitro
NCCSCc1ccc([N+](=O)[O-])cc1	19474096	AMUWIFGHSOSSSK-UHFFFAOYSA-N	212.274	1.787	5	40	BDBB	
O=[N+]([O-])c1ccc([C@H]2NNC(=S)S2)cc1	114496	BHLDLMHHOBEPIL-ZETCQYMHSA-N	241.297	1.719	5	40	BDBB	
CNc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	59489761	GDZGAEKKPASYGT-UHFFFAOYSA-N	241.159	1.243	5	40	BDBB	
Nc1cc(Br)c([N+](=O)[O-])cc1N	95932911	XGXKPRVKQPWQOY-UHFFFAOYSA-N	232.037	1.522	5	40	BDBB	
Cc1c(N)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1610399	FRXGFBPDRXHWHL-UHFFFAOYSA-N	211.177	1.702	5	40	BDBB	
O=[N+]([O-])c1ccc(-n2cccn2)c(F)c1	39186085	YNYHDGYGCYUVOE-UHFFFAOYSA-N	207.164	1.920	5	40	BDBB	
CC1(C)Oc2cccc([N+](=O)[O-])c2NC1=O	71405346	SYDFLNCVEDQAFJ-UHFFFAOYSA-N	222.200	1.704	5	40	BDBB	
COc1ccc(-c2cn[nH]c2)cc1[N+](=O)[O-]	78575682	KGEAXDWFZFKFSJ-UHFFFAOYSA-N	219.200	1.994	5	40	BDBB	
Nc1ncc(C(=O)c2ccccc2)cc1[N+](=O)[O-]	31719739	YNEHSMRTIXBASU-UHFFFAOYSA-N	243.222	1.803	5	40	BDBB	
CCOC(=O)c1c(OC)c([N+](=O)[O-])cn1C	136015754	BFTHXZKRUYELAD-UHFFFAOYSA-N	228.204	1.119	5	40	BDBB	
CN(CC(=O)O)c1ccc(Cl)cc1[N+](=O)[O-]	10012478	WCIBJZVOKHVXFZ-UHFFFAOYSA-N	244.634	1.769	5	40	BDBB	
O=C1OCC/C1=C\c1cccc([N+](=O)[O-])c1	1747671	UCUHWEXTZBUIPQ-RMKNXTFCSA-N	219.196	1.925	5	40	BDBB	
C[N+]12CCC(c3ccccc3)(CC1)[C@@H](O)C2	6519810	HWSJHLHRHLEJPM-NFOMZHRRSA-N	218.320	1.539	5	40	BDBB	
O=[N+]([O-])c1ccccc1Sc1ncn[nH]1	29185989	CSOYYIJUOQKZJD-UHFFFAOYSA-N	222.229	1.864	5	40	BDBB	
Cc1c[nH]c(=O)n1-c1ccccc1[N+](=O)[O-]	38342141	LLQAIWMRSMWDRS-UHFFFAOYSA-N	219.200	1.382	5	40	BDBB	in-vitro
CC[C@@H](N)COc1ccc([N+](=O)[O-])cc1	89261757	GWZZUAARCQZHDX-MRVPVSSYSA-N	210.233	1.711	5	40	BDBB	
C[C@@H]1NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	35149640	JVZVPERQYBCVHO-LURJTMIESA-N	235.199	1.040	5	40	BDBB	
NNc1cc(Cl)c([N+](=O)[O-])cc1O	199561982	UUKGNQQQSBQWNF-UHFFFAOYSA-N	203.585	1.239	5	40	BDBB	
CCOC(=O)C[C@@H](C=C(C)C)C[N+](=O)[O-]	96031839	JEZGGUXZVFNAAD-SECBINFHSA-N	215.249	1.799	5	40	BDBB	in-vitro
CC[C@H]([N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	1725621	ZXUBNAPNIFKMMX-SNVBAGLBSA-N	243.284	1.782	5	40	BDBB	
Cc1cc(OC[C@@H]2CCNC2)ccc1[N+](=O)[O-]	42773506	GMVIEYGAXXZULC-SNVBAGLBSA-N	236.271	1.892	5	40	BDBB	
O=C(NC1CCNCC1)c1cccc([N+](=O)[O-])c1	37116540	RLBIDXCMFYIGDH-UHFFFAOYSA-N	249.270	1.077	5	40	BDBB	
NN(F)c1ccc(F)c(F)c1[N+](=O)[O-]	64219850	IPWSQAWFODNIAR-UHFFFAOYSA-N	207.111	1.438	5	40	BDBB	
O=[N+]([O-])c1ncn(-c2ncnc3ccsc23)n1	96460532	QNIZGJURUKZZBL-UHFFFAOYSA-N	248.227	1.180	5	40	BDBB	
O=C1NCCCCc2scc([N+](=O)[O-])c21	1307223	HMZMMCZFSGYVLY-UHFFFAOYSA-N	226.257	1.722	5	40	BDBB	
O=[N+]([O-])c1ccc(OCC2CCNCC2)nc1	42783015	HCXRCUGMFMSGIO-UHFFFAOYSA-N	237.259	1.368	5	40	BDBB	
CNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	101548300	CFYAUGJHWXGWHI-UHFFFAOYSA-N	242.147	1.453	5	40	BDBB	
NNCc1ccc(Cl)cc1[N+](=O)[O-]	50442955	NDYWSSIIZZRHSO-UHFFFAOYSA-N	201.613	1.212	5	40	BDBB	
O=[N+]([O-])c1cccc(F)c1N1CCOCC1	67800471	RVPOFXBMBJKJJK-UHFFFAOYSA-N	226.207	1.571	5	40	BDBB	
CC(=O)n1ncc2c([N+](=O)[O-])cccc21	71623983	DNGGLOQORAHURH-UHFFFAOYSA-N	205.173	1.605	5	40	BDBB	
CC(C)n1cc([N+](=O)[O-])c(NC2CC2)n1	95098519	YSPPXWVLFGFKGF-UHFFFAOYSA-N	210.237	1.947	5	40	BDBB	
Cc1ccc([N+](=O)[O-])c(-c2cc(N)[nH]n2)c1	83842832	PKCIBINAFPGCGZ-UHFFFAOYSA-N	218.216	1.876	5	40	BDBB	
O=C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1	19868677	NNNCYELNJVIWSV-UHFFFAOYSA-N	238.218	1.903	5	40	BDBB	
C[N+]1(C[C@H]2COC3(CCCC3)O2)CCOCC1	202462	VPXQDJZXBXRASW-LBPRGKRZSA-N	242.339	1.149	5	40	BDBB	
CC(=O)Nc1nc(C)c([N+](=O)[O-])s1	4114285	PUSMJFAURVSIRF-UHFFFAOYSA-N	201.207	1.318	5	40	BDBB	
CCOc1cc2c(cc1[N+](=O)[O-])OCO2	139403877	WJIVOJPYACGTEX-UHFFFAOYSA-N	211.173	1.722	5	40	BDBB	
C[C@H](O)CNCc1ccc([N+](=O)[O-])cc1	8498024	MELZPPYLLIVSJH-QMMMGPOBSA-N	210.233	1.065	5	40	BDBB	
CC1=CC=C[C@H](Oc2ncnc(N)c2[N+](=O)[O-])C1	26802691	GCBUFHIXAUTWDG-QMMMGPOBSA-N	248.242	1.621	5	40	BDBB	
O=[N+]([O-])c1cc(CN2CCC[C@@H]2CO)cs1	95948536	BQTCFAJEGXDWLC-SECBINFHSA-N	242.300	1.613	5	40	BDBB	
O=[N+]([O-])c1ccc(Nc2cccc[n+]2[O-])cc1	239562603	FNKFSUGRNRYLQP-UHFFFAOYSA-N	231.211	1.972	5	40	BDBB	
COc1cc(OC)c([N+](=O)[O-])cc1[N+](=O)[O-]	3162430	FNFRSLVCFFJHEE-UHFFFAOYSA-N	228.160	1.520	5	40	BDBB	
COc1cc([C@H](C)O)c([N+](=O)[O-])cc1OC	502178	KMRZADDYRLREOY-LURJTMIESA-N	227.216	1.665	5	40	BDBB	biogenic
C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	2519384	WJUGEERCZOQFJC-ZETCQYMHSA-N	210.189	1.803	5	40	BDBB	
O=[N+]([O-])c1cccc(OC[C@@H]2CCCNC2)c1	14631321	PARVPNYLZOOZES-SNVBAGLBSA-N	236.271	1.973	5	40	BDBB	
O=C(O)[C@@]12C[C@@H]3C[C@@H](C[C@@]([N+](=O)[O-])(C3)C1)C2	100262118	VSRRAGQUKPLYMV-YDRMRZIKSA-N	225.244	1.687	5	40	BDBB	
O=C(O)CCc1nc2cc([N+](=O)[O-])ccc2[nH]1	5409223	UPLXRNJPINFWOL-UHFFFAOYSA-N	235.199	1.488	5	40	BDBB	
CC(C)[C@H](C)Nc1c([N+](=O)[O-])ncn1C	8318647	KFRCJAIOZDAQIF-ZETCQYMHSA-N	212.253	1.785	5	40	BDBB	
CC[C@H](C)n1cc([N+](=O)[O-])c(C(=O)OC)n1	408715284	ANQJYNVEDNWAOV-LURJTMIESA-N	227.220	1.549	5	40	BDBB	
O=C(O)C[C@@H]1CC(=O)c2cccc([N+](=O)[O-])c21	96345819	QQTGIEBIXVFMSZ-LURJTMIESA-N	235.195	1.740	5	40	BDBB	
CCOc1cc2[nH]ncc2cc1[N+](=O)[O-]	77052829	QIXSOYWBGCLBKY-UHFFFAOYSA-N	207.189	1.870	5	40	BDBB	
Cc1c(N2CCOC2=O)cccc1[N+](=O)[O-]	71790909	QLIOGVFKDIDCFG-UHFFFAOYSA-N	222.200	1.860	5	40	BDBB	in-vitro
COC[C@@](C)(N)CNc1ccccc1[N+](=O)[O-]	72284424	MEZBKUXJXJTUFG-NSHDSACASA-N	239.275	1.371	5	40	BDBB	
COCCOc1cc([N+](=O)[O-])sc1C(=O)O	96511080	XOPJDRMQOCSHHP-UHFFFAOYSA-N	247.228	1.380	5	40	BDBB	
Cc1c(C(=O)O)nc2ccc([N+](=O)[O-])cn12	309364179	ZVUYQDMEIRVMSP-UHFFFAOYSA-N	221.172	1.249	5	40	BDBB	
CN(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1	4685183	WRHFVPIHECFQPQ-UHFFFAOYSA-N	240.288	1.358	5	40	BDBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2C3=O)CCCC1	138757154	VLPNZOYKFIEKFZ-TUAOUCFPSA-N	208.325	1.985	5	40	BDBB	
Cc1cc2c(c([N+](=O)[O-])c1C)OCCO2	5362496	BAMGKHIMMAYXNT-UHFFFAOYSA-N	209.201	1.983	5	40	BDBB	
Cn1c(S)nc2cc([N+](=O)[O-])ccc2c1=O	100486860	WVDQKGQKETYBJM-UHFFFAOYSA-N	237.240	1.130	5	40	BDBB	
COc1cc(OC)c(OC)cc1/C=C/[N+](=O)[O-]	259987	DPZJDIXHUBSWDS-SNAWJCMRSA-N	239.227	1.960	5	40	BDBB	biogenic,in-vitro
O=[N+]([O-])c1n[nH]c(-c2ccc(F)cc2)n1	1030923	KPZFOCGDLDXPNJ-UHFFFAOYSA-N	208.152	1.519	5	40	BDBB	
C[N+](C)(CCS(=O)(=O)O)C1CCCCC1	1568286	CJRKTACFZUURRH-UHFFFAOYSA-O	236.357	1.283	5	40	BDBB	
CNc1nc2cc([N+](=O)[O-])ccc2n1C	63110944	TYXAEAOIWZOCSE-UHFFFAOYSA-N	206.205	1.523	5	40	BDBB	
O=[N+]([O-])c1ccc2nc(C3CCNCC3)[nH]c2c1	5887006	ORQGRXRMWXVWAP-UHFFFAOYSA-N	246.270	1.938	5	40	BDBB	
O=C1c2ccccc2C(=O)N1CCCC[N+](=O)[O-]	36373897	FKKOQCKFOUFYSF-UHFFFAOYSA-N	248.238	1.340	5	40	BDBB	
Cc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O	1715466	WCQZRBWBYHFDBL-UHFFFAOYSA-N	225.156	1.300	5	40	BDBB	
Cn1ncc2c([N+](=O)[O-])cc([N+](=O)[O-])cc21	59922942	NWDBQONHVRRTDY-UHFFFAOYSA-N	222.160	1.390	5	40	BDBB	
Cc1c([N+](=O)[O-])cc(N(C)C)cc1[N+](=O)[O-]	67321063	QHBXKNJHIVCAFJ-UHFFFAOYSA-N	225.204	1.877	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])cc1)c1ncco1	85651138	SOTWEQBYCNXMLO-UHFFFAOYSA-N	218.168	1.814	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2noc(O)n2)cc1	34128349	PEVIRNTUXQYRDH-UHFFFAOYSA-N	207.145	1.350	5	40	BDBB	in-vitro
COc1ccc([N+](=O)[O-])cc1N1CCOC1=O	71790372	ZJWARTJOUADBIR-UHFFFAOYSA-N	238.199	1.560	5	40	BDBB	
COc1cc(N[C@@H](C)CO)c([N+](=O)[O-])cc1F	91485270	JCKITERLUFWNMJ-LURJTMIESA-N	244.222	1.535	5	40	BDBB	
COC(=O)c1cc2[nH]ncc2cc1[N+](=O)[O-]	80521850	DEZHKDZFGIGNPH-UHFFFAOYSA-N	221.172	1.258	5	40	BDBB	
C=CS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-]	52120985	UBPZOLGSFKZLJL-UHFFFAOYSA-N	231.204	1.651	5	40	BDBB	
CC(=O)Nc1c([N+](=O)[O-])ccc(C)c1[N+](=O)[O-]	4127892	WKOVDGMKEUXMKG-UHFFFAOYSA-N	239.187	1.770	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC1	77323913	HRPGIFVGIMLDFT-UHFFFAOYSA-N	224.191	1.580	5	40	BDBB	
COc1cc(N2CC[C@@H](N)C2)ccc1[N+](=O)[O-]	91356027	JRIWVVGOWGJRLQ-MRVPVSSYSA-N	237.259	1.141	5	40	BDBB	
O=C(O)Cc1c[nH]c2c([N+](=O)[O-])cccc12	166800812	QLDXRQIBEFBFFJ-UHFFFAOYSA-N	220.184	1.703	5	40	BDBB	
O=[N+]([O-])c1ccccc1OC[C@@H]1CCNC1	42773584	PHHDCMKRUGJWTR-SECBINFHSA-N	222.244	1.583	5	40	BDBB	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C	46034024	BRRVHJJQNKFBOR-UHFFFAOYSA-N	244.272	1.154	5	40	BDBB	
O=[N+]([O-])c1ccnc(Br)c1F	306823437	QEBVNLSQEHSZHE-UHFFFAOYSA-N	220.985	1.891	5	40	BDBB	
O=C(O)c1cc(N2CCCC2)ccc1[N+](=O)[O-]	15443713	LNUUYCCKQBKIIJ-UHFFFAOYSA-N	236.227	1.893	5	40	BDBB	
Cc1nn(CCCCCO)c(C)c1[N+](=O)[O-]	51020238	ZEGGFLCQUAJWRA-UHFFFAOYSA-N	227.264	1.571	5	40	BDBB	
O=c1ccc([N+](=O)[O-])cn1Cc1cccc(F)c1	12805695	FELDUYYABSVSKM-UHFFFAOYSA-N	248.213	1.944	5	40	BDBB	
CCOC(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C	4294247	PFQXEXHEZQITFU-SSDOTTSWSA-N	227.220	1.224	5	40	BDBB	
Nc1ccc(OC(F)F)cc1[N+](=O)[O-]	31776307	FHRVMXFZUVYVPF-UHFFFAOYSA-N	204.132	1.778	5	40	BDBB	
CCn1nc([N+](=O)[O-])cc1C(F)(F)F	12396806	JKJGEHAKRPJGQI-UHFFFAOYSA-N	209.127	1.830	5	40	BDBB	
CCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C	5923801	BYETUEKWASFECB-UHFFFAOYSA-N	244.272	1.665	5	40	BDBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1	4773292	HZFREYKCBLRUCP-VHSXEESVSA-N	235.287	1.781	5	40	BDBB	
CC[C@@H](O)c1cc2c(cc1[N+](=O)[O-])OCCO2	4602365	DZUGNFDFHOHOMY-SECBINFHSA-N	239.227	1.809	5	40	BDBB	
CCNC(=O)CNc1cccc([N+](=O)[O-])c1	9322883	QWMCNSXMCPDDCX-UHFFFAOYSA-N	223.232	1.143	5	40	BDBB	
O=[N+]([O-])c1ccccc1CNC1COC1	82488559	VKUWVOMTTJAZNF-UHFFFAOYSA-N	208.217	1.083	5	40	BDBB	
CC(C)n1cc([N+](=O)[O-])c([N+](=O)[O-])n1	95098575	ZZQMGABXCQYGSM-UHFFFAOYSA-N	200.154	1.280	5	40	BDBB	
O=C(O)c1cnc2cccc([N+](=O)[O-])c2c1	1722734	NRLLDCUNEXQZDW-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	
CC[N+]1([C@@H]2CC[C@@H]3CC[C@@H]2C3=O)CCOCC1	104136605	MXWPXGWUDJCQTO-RWMBFGLXSA-N	238.351	1.611	5	40	BDBB	
CCOC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21	15081644	UMSSNTLFYVEQOH-UHFFFAOYSA-N	249.226	1.508	5	40	BDBB	
C[C@](O)(CC(=O)O)c1ccc([N+](=O)[O-])cc1	1555239	KJKUAEMIKPSAOU-JTQLQIEISA-N	225.200	1.277	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2cccc(F)c2)N1	13992161	QFAZBZJWJDQADR-KOLCDFICSA-N	238.218	1.422	5	40	BDBB	
COc1cccc2c1C(=O)O[C@H]2C[N+](=O)[O-]	384415	UIRLSHLUXAPCRI-QMMMGPOBSA-N	223.184	1.183	5	40	BDBB	
O=[N+]([O-])c1ccccc1-c1nnc(S)o1	20159250	WQXZNENNUXMGFT-UHFFFAOYSA-N	223.213	1.934	5	40	BDBB	
CC[C@](C)(O)CNc1ncccc1[N+](=O)[O-]	58195400	JCJWDPRLPLYEBZ-JTQLQIEISA-N	225.248	1.563	5	40	BDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1	48275908	NAMSIHWISBQROM-SSDOTTSWSA-N	228.273	1.881	5	40	BDBB	
C[N+]1(C)CCOc2ccc(C(=O)O)cc21	98095540	JPCBHPNQJYRHSS-UHFFFAOYSA-O	208.237	1.344	5	40	BDBB	
CNc1ccc2nsnc2c1[N+](=O)[O-]	16189473	ZBBWZYRPKXHRRU-UHFFFAOYSA-N	210.218	1.641	5	40	BDBB	
Cn1ccnc1SCn1cc([N+](=O)[O-])cn1	16972279	MGGRZMLPVLRHHR-UHFFFAOYSA-N	239.260	1.275	5	40	BDBB	
N[C@H](Cc1c([N+](=O)[O-])[nH]c2ccccc12)C(=O)O	32220500	RKGSEDQXZIKFOH-MRVPVSSYSA-N	249.226	1.031	5	40	BDBB	
Cc1ccnc(-n2ccnc2)c1[N+](=O)[O-]	70497255	ISBJODOTXYSYOL-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
COCc1ccc([N+](=O)[O-])cc1C(=O)O	72209183	QUGVTACBEAKQJA-UHFFFAOYSA-N	211.173	1.439	5	40	BDBB	
CCc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	70063305	ROMSVCMZBKSXEH-UHFFFAOYSA-N	225.200	1.621	5	40	BDBB	
O=[N+]([O-])/C=C/c1cnn(-c2ccccc2)n1	365925	XWAGGTZCMGAPQD-VOTSOKGWSA-N	216.200	1.515	5	40	BDBB	
O=C(NC1=NCCS1)c1ccc([N+](=O)[O-])o1	66698	PHCRJTVFCWFZKO-UHFFFAOYSA-N	241.228	1.020	5	40	BDBB	
CN(C)C[C@]1(c2ccccc2)CC[N+](C)(C)C1	4962470	FXEBVCSNTLJJLO-OAHLLOKOSA-N	233.379	1.966	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])ccc1-n1cccn1	26514481	SAPYOZQRCUOWPR-UHFFFAOYSA-N	217.184	1.593	5	40	BDBB	
CNC(=O)COc1ccc([N+](=O)[O-])cc1Cl	6062200	HPIBNXOOWXPOLZ-UHFFFAOYSA-N	244.634	1.373	5	40	BDBB	
Cc1ccnc(N2CCCO2)c1[N+](=O)[O-]	96502645	HZXVYBYFUOJHSL-UHFFFAOYSA-N	209.205	1.440	5	40	BDBB	
COc1ccc2[nH]c3c(ncn4cnnc34)c2c1	5911245	LMHGWAFKJBWKPF-UHFFFAOYSA-N	239.238	1.767	5	40	BDBB	
CCCCS(=O)(=O)C[N+](C)(CC)CC	1568278	BWMSXYSASWUKBX-UHFFFAOYSA-N	222.374	1.645	5	40	BDBB	
CCCOc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-]	4115582	JNCKATDBLLQARU-UHFFFAOYSA-N	241.203	1.874	5	40	BDBB	
C[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-]	71893738	YZOKGIGHRTVBCF-ZCFIWIBFSA-N	214.196	1.527	5	40	BDBB	
Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)O	71250943	ORWYNMNDNSUAGR-UHFFFAOYSA-N	216.580	1.529	5	40	BDBB	in-vitro
Cn1c2ccccc2n2c1nn1c(S)nnc12	33373571	PLCSNEHXTXAKHS-UHFFFAOYSA-N	244.283	1.157	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1SCCN(C)C	92675629	JSOIYQUOHANHTA-UHFFFAOYSA-N	241.316	1.952	5	40	BDBB	
CC1=NN(c2ccccc2)[C@H](C)[C@H]1[N+](=O)[O-]	96659	LHJCCNGHUYYUFA-KOLCDFICSA-N	219.244	1.916	5	40	BDBB	
CCOCC(=O)Nc1ncc([N+](=O)[O-])s1	4460328	HADOMBGXLMBQGR-UHFFFAOYSA-N	231.233	1.026	5	40	BDBB	
O=C1N=C(O)/C(=C\c2ccc([N+](=O)[O-])o2)N1	33631330	QFWCTABYNWDQLY-HWKANZROSA-N	223.144	1.208	5	40	BDBB	
O=[N+]([O-])c1ccc(CO)cc1Br	199713100	OOBHGTPHIIVFLQ-UHFFFAOYSA-N	232.033	1.850	5	40	BDBB	
O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccco1	5390873	SIINNNXUPNEKBK-UHFFFAOYSA-N	233.183	1.835	5	40	BDBB	
COCCNC(=O)Nc1ccccc1[N+](=O)[O-]	9256888	VINHGEYFQKZHOB-UHFFFAOYSA-N	239.231	1.363	5	40	BDBB	
CSc1nc([N+](C)(C)C)cc([N+](C)(C)C)n1	1681571	BUXKANOVZGPZKH-UHFFFAOYSA-N	242.392	1.592	5	40	BDBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)O	17417633	BPDRKPHFYJXKTB-RXMQYKEDSA-N	228.229	1.555	5	40	BDBB	
O=[N+]([O-])c1ccccc1NC[C@H]1CCCN1	53255034	YMUOJDPYCKPFNB-SECBINFHSA-N	221.260	1.759	5	40	BDBB	
Cc1cc(C(=O)Cn2cnc([N+](=O)[O-])c2)c(C)[nH]1	25586822	RSLABVXENNPSGH-UHFFFAOYSA-N	248.242	1.619	5	40	BDBB	
O=[N+]([O-])c1cccnc1NCC1CCNCC1	40434911	WJHBVMJHDMTRCL-UHFFFAOYSA-N	236.275	1.401	5	40	BDBB	
COc1cc(C(=O)O)cc([N+](=O)[O-])c1C	43386544	JZBPCFNVEBZSTB-UHFFFAOYSA-N	211.173	1.610	5	40	BDBB	in-vitro
O=C(O)c1ccc([N+](=O)[O-])c2cccnc12	26443317	HXHZCOASPJWXPP-UHFFFAOYSA-N	218.168	1.841	5	40	BDBB	in-vitro
COCCn1c(C)cc(Cl)c([N+](=O)[O-])c1=O	252500360	STASQJJFCYEGPW-UHFFFAOYSA-N	246.650	1.365	5	40	BDBB	
COC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1[N+](=O)[O-]	16189647	GQECTTSRFRRDHT-HOSYDEDBSA-N	246.222	1.112	5	40	BDBB	
CCOC(=O)CCCn1ccc([N+](=O)[O-])n1	72209601	HFDGCSRUJBLEDO-UHFFFAOYSA-N	227.220	1.135	5	40	BDBB	
O=[N+]([O-])c1cccc(O[C@H]2CCNC2)c1	14632276	SRLOKZSYXKQYDZ-JTQLQIEISA-N	208.217	1.336	5	40	BDBB	
CC(=O)NCCOc1ccc(C)c([N+](=O)[O-])c1	96191800	ADBWRUGFTHDCSF-UHFFFAOYSA-N	238.243	1.418	5	40	BDBB	
O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]	4714874	TXKLPRHOQGGDQY-UHFFFAOYSA-N	208.133	1.379	5	40	BDBB	in-vitro
Cc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1	99339	DLQZVKNZVDCCIV-PWSUYJOCSA-N	234.255	1.591	5	40	BDBB	
CCOc1c(C=O)cc(F)cc1[N+](=O)[O-]	225271005	XPALOSRPVNMUGL-UHFFFAOYSA-N	213.164	1.945	5	40	BDBB	
O=[N+]([O-])c1cccnc1N1CCC(CO)CC1	40444378	DATSLEILKRNRMZ-UHFFFAOYSA-N	237.259	1.199	5	40	BDBB	in-vitro
CC(=O)Nc1ccc([N+](=O)[O-])c2nonc12	4143821	XHIJYNJBIDVIND-UHFFFAOYSA-N	222.160	1.089	5	40	BDBB	
COCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5997883	ZDBFHNSBSQNPMA-UHFFFAOYSA-N	242.187	1.528	5	40	BDBB	
NC(=O)C1(c2cccc([N+](=O)[O-])c2)CC1	147457997	MNQJTFDCMDMQJE-UHFFFAOYSA-N	206.201	1.112	5	40	BDBB	
COc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1599069	XCHBHMOBNNBYAX-UHFFFAOYSA-N	212.161	1.820	5	40	BDBB	
CC[C@@H](C)NC(=O)c1ccc(N)c([N+](=O)[O-])c1	10091460	CKYAFKJAARQSBD-SSDOTTSWSA-N	237.259	1.705	5	40	BDBB	
O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)N1	32190880	ZCDGWKOHOOUVSP-VIFPVBQESA-N	224.241	1.456	5	40	BDBB	
C[S@@](=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	16970966	BMIAGKOMRMMSLT-HNNXBMFYSA-N	230.201	1.240	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@H]2CCCNC2)nc1	40434865	JXCQXEHHXLGBTD-VIFPVBQESA-N	223.232	1.121	5	40	BDBB	
Cc1nn(C)c(C(F)(F)F)c1[N+](=O)[O-]	2537791	MYJVIHDPURQXNY-UHFFFAOYSA-N	209.127	1.656	5	40	BDBB	
CCOC(=O)c1c([N+](=O)[O-])c(C)nn1CC	13623638	OYXIKFCQVWSVRG-UHFFFAOYSA-N	227.220	1.296	5	40	BDBB	
Cc1cc(C)n2nc([N+](=O)[O-])c([N+](=O)[O-])c2n1	4357636	LEUYGODKPKTIRH-UHFFFAOYSA-N	237.175	1.163	5	40	BDBB	
C[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1	61843973	OTZGDPWFEMEYPN-ZCFIWIBFSA-N	233.231	1.400	5	40	BDBB	
COc1ccc2c(N)c([N+](=O)[O-])cnc2c1	36138881	SMHTUQOSRKGMQR-UHFFFAOYSA-N	219.200	1.734	5	40	BDBB	
CC[C@@H](C(=O)O)n1ncc([N+](=O)[O-])c1C(F)F	408716616	OWYOSZRNWMYJEG-BYPYZUCNSA-N	249.173	1.765	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@H]2CCCNC2)cc1	42782892	WKAQCLQUGQACEV-NSHDSACASA-N	222.244	1.726	5	40	BDBB	
Cc1ncc([N+](=O)[O-])n1CC1(O)CCCCC1	96484725	ULQJYESSTRTZOC-UHFFFAOYSA-N	239.275	1.795	5	40	BDBB	
CC1=C([N+](=O)[O-])[C@H](c2ccc(O)cc2)NC(=O)N1	238054	DTRLZAWANIWTOV-VIFPVBQESA-N	249.226	1.254	5	40	BDBB	
O=C1N[C@H](Cc2ccc([N+](=O)[O-])cc2)CO1	2524855	CCEJPIYBVGYGEM-MRVPVSSYSA-N	222.200	1.246	5	40	BDBB	
COc1cnc(Br)c([N+](=O)[O-])c1	169804076	BRGJCJSKKQPHAE-UHFFFAOYSA-N	233.021	1.761	5	40	BDBB	
O=[N+]([O-])c1ccccc1P1(=O)OCCO1	1615676	MWZJKSYQLOVZJG-UHFFFAOYSA-N	229.128	1.460	5	40	BDBB	
O=C1CC(=O)OC(c2ccc([N+](=O)[O-])cc2)O1	1716754	WEFBPMUAXMHMIL-UHFFFAOYSA-N	237.167	1.084	5	40	BDBB	
CCOP1(=O)OCC(C)([N+](=O)[O-])CO1	4934176	WBCQZHXCGPLXJS-UHFFFAOYSA-N	225.137	1.213	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@H]2CCCNC2)cc1	42782894	OTDTWBRUOXFRKW-JTQLQIEISA-N	236.271	1.973	5	40	BDBB	
N=C(N)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1	199563342	PAAGADMJLQEFNW-UHFFFAOYSA-N	233.149	1.898	5	40	BDBB	
CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])cn1C	32903244	PWTIHUWMFJGKNF-UHFFFAOYSA-N	239.275	1.852	5	40	BDBB	
COc1c(Cl)cc([N+](=O)[O-])cc1C(=O)O	1723255	FZEVTPCZAKESII-UHFFFAOYSA-N	231.591	1.955	5	40	BDBB	
CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1	9466294	WMCUMQKYDDMDHE-UHFFFAOYSA-N	237.259	1.795	5	40	BDBB	
CC(=O)c1ccc(NC[C@H](C)O)c([N+](=O)[O-])c1	8177600	SDVZHOFOESVVKX-ZETCQYMHSA-N	238.243	1.590	5	40	BDBB	
CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F	42265999	PUOXJFSWIUYLBS-UHFFFAOYSA-N	248.235	1.032	5	40	BDBB	
C/C=C/C(=O)Oc1cc(C)[nH]c(=O)c1[N+](=O)[O-]	4248334	NEBWDQCPZFUXDB-ONEGZZNKSA-N	238.199	1.073	5	40	BDBB	
CC(C)CNC(=O)c1ccc([N+](=O)[O-])cc1	4590322	DPXAUDVSHNKGLR-UHFFFAOYSA-N	222.244	1.981	5	40	BDBB	
O=Cc1cnc(-c2ccc([N+](=O)[O-])cc2)nc1	8731039	GUXJUUFSUFYJNB-UHFFFAOYSA-N	229.195	1.864	5	40	BDBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc[nH]1	409304892	SWQMTEXCCGFFGO-ARJAWSKDSA-N	248.198	1.295	5	40	BDBB	
CC(C)c1ncc([N+](=O)[O-])n1C(=O)N(C)C	5633643	HPXNJOMTUJIFMW-UHFFFAOYSA-N	226.236	1.444	5	40	BDBB	
C[C@@H]([C@H](O)c1ccccc1)[N+](C)(C)CCO	1322477	ONKPVHPJNPSLEK-AAEUAGOBSA-N	224.324	1.177	5	40	BDBB	biogenic
C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H](C)O1	20421130	GFSGRMTXKGSLNZ-RKDXNWHRSA-N	237.259	1.603	5	40	BDBB	
CCNc1c([N+](=O)[O-])ccc2nonc12	4658765	WFSLENNUBRAKQR-UHFFFAOYSA-N	208.177	1.563	5	40	BDBB	
CCOC(=O)[C@@H](C)n1c([N+](=O)[O-])cnc1C	408975712	LUXAGZXIAUFTAX-ZCFIWIBFSA-N	227.220	1.224	5	40	BDBB	
Cc1cc(=O)n(CC(F)(F)F)cc1[N+](=O)[O-]	95416414	INYWHVMRDHRKDE-UHFFFAOYSA-N	236.149	1.627	5	40	BDBB	
C[C@H](Sc1ncccc1[N+](=O)[O-])C(=O)O	80926	MUDNTVKNHDLQJN-YFKPBYRVSA-N	228.229	1.555	5	40	BDBB	
NCCc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12	4294764	XXZAXZCPUWUTNP-UHFFFAOYSA-N	249.226	1.276	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CC2)c([N+](=O)[O-])c1	4365495	TVSWGBWBKSQDMI-UHFFFAOYSA-N	209.161	1.323	5	40	BDBB	
O=[N+]([O-])[C@H]1CCC[C@@H]2[C@@H]1CCC[C@H]2[N+](=O)[O-]	4533137	QTKVEILORHUNPS-FIRGSJFUSA-N	228.248	1.877	5	40	BDBB	
O=[N+]([O-])c1ccccc1N1CC(O)(C2CC2)C1	89667297	MFNJTIYXBMTDAO-UHFFFAOYSA-N	234.255	1.556	5	40	BDBB	
CCN1CCc2cc([N+](=O)[O-])ccc2C1	117620303	ZWWMEJPVFSLVRU-UHFFFAOYSA-N	206.245	1.973	5	40	BDBB	
Cc1nn(-c2cccnc2Cl)nc1[N+](=O)[O-]	89263609	GWBSQNLGLZSXFJ-UHFFFAOYSA-N	239.622	1.532	5	40	BDBB	
NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	82046855	IOLTVUWUQVKERR-UHFFFAOYSA-N	206.201	1.112	5	40	BDBB	
CCOC(=O)c1nc2ccc([N+](=O)[O-])cn2c1C	1504308217	WHKFVYIKVOQFOK-UHFFFAOYSA-N	249.226	1.728	5	40	BDBB	
O=[N+]([O-])C[C@@H](c1cccs1)n1cccn1	1888906512	CTLDMTWKGUGXGX-QMMMGPOBSA-N	223.257	1.811	5	40	BDBB	
Nc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]	4748127	BKTMGBPFFCRHST-UHFFFAOYSA-N	216.580	1.529	5	40	BDBB	
O=[N+]([O-])c1ccc(OC[C@H]2CCNC2)cc1	42773483	QYEVQNHPVRZPGD-VIFPVBQESA-N	222.244	1.583	5	40	BDBB	
Cc1ccc(-n2nc(C(=O)O)c([N+](=O)[O-])n2)cc1	89263360	RYGLHYIMLDWKRK-UHFFFAOYSA-N	248.198	1.182	5	40	BDBB	
CCOc1ncnc(Cl)c1[N+](=O)[O-]	977917	LVZXUUQVHLFRNL-UHFFFAOYSA-N	203.585	1.437	5	40	BDBB	
Nc1ccc(Br)nc1[N+](=O)[O-]	72188055	ZPTCUFQLPDXXGM-UHFFFAOYSA-N	218.010	1.335	5	40	BDBB	in-vitro
O=C(O)CCn1cc([N+](=O)[O-])c(C(F)F)n1	408715797	DUZFQOGMJMZEML-UHFFFAOYSA-N	235.146	1.204	5	40	BDBB	
O=C(O)CSc1c(F)cccc1[N+](=O)[O-]	81937818	ONSYTFOJBCXYCB-UHFFFAOYSA-N	231.204	1.911	5	40	BDBB	
COC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	73836098	ZHFCDELFRWLNKC-QMMMGPOBSA-N	239.227	1.787	5	40	BDBB	
COC(=O)c1ccc2cccc([N+](=O)[O-])c2n1	45954294	ZJSFNHZUYTYDFN-UHFFFAOYSA-N	232.195	1.930	5	40	BDBB	
NC(=S)c1ccc(OC(F)F)c([N+](=O)[O-])c1	85397026	MLAQVKFZWDHRQN-UHFFFAOYSA-N	248.210	1.830	5	40	BDBB	
CC[C@H](CO)Nc1ncccc1[N+](=O)[O-]	20324454	QFLBKHPMXRMHKE-SSDOTTSWSA-N	211.221	1.173	5	40	BDBB	
O=C(O)CSc1ncccc1[N+](=O)[O-]	169889	WBPUHBNGHSAAGT-UHFFFAOYSA-N	214.202	1.167	5	40	BDBB	biogenic,in-vitro
O=C(c1csc([N+](=O)[O-])c1)N1CCOCC1	42565737	UWCNVVQPBCWMKD-UHFFFAOYSA-N	242.256	1.129	5	40	BDBB	
O=[N+]([O-])c1cc(CO)cc(Br)c1O	8727714	HMNGTUJXCUQSBI-UHFFFAOYSA-N	248.032	1.555	5	40	BDBB	
COCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	69440211	WPNXQMHXJXZOGG-UHFFFAOYSA-N	248.242	1.500	5	40	BDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC1	12760945	MQIMUJATHBQCBY-UHFFFAOYSA-N	221.216	1.879	5	40	BDBB	
O=[N+]([O-])c1c2c(cc3c1C[C@@H](CO)C3)CCC2	2113474294	GPZUKFFJLZUJRQ-QMMMGPOBSA-N	233.267	1.791	5	40	BDBB	
CC(=O)COC(=O)Cc1ccc([N+](=O)[O-])cc1	3027947	GVHIFSIYBZUQMS-UHFFFAOYSA-N	237.211	1.270	5	40	BDBB	
O=[N+]([O-])c1c(NCCCO)nc2ccccn12	12627816	QNUZHIADKGWBPD-UHFFFAOYSA-N	236.231	1.037	5	40	BDBB	
O=C(O)c1cnc(-c2ccc([N+](=O)[O-])cc2)nc1	8731038	SOSUQOPJFAIMGT-UHFFFAOYSA-N	245.194	1.750	5	40	BDBB	
Cn1ccn(-c2cccc([N+](=O)[O-])c2)c1=O	30952849	PKUJTEBEWSEMBR-UHFFFAOYSA-N	219.200	1.084	5	40	BDBB	
CN(CC(=O)O)Cc1ccc([N+](=O)[O-])cc1	35304277	BAWOCZNKJQOYRD-UHFFFAOYSA-N	224.216	1.111	5	40	BDBB	
O=[N+]([O-])c1sccc1C[n+]1ccccc1	239563093	VSAWVLZBXARGIM-UHFFFAOYSA-N	221.261	1.992	5	40	BDBB	
CN(C)C(=O)N[C@H]1CCc2ccc([N+](=O)[O-])cc21	1736315	RVMQHSSUNBLCQT-NSHDSACASA-N	249.270	1.853	5	40	BDBB	
Cc1nn(CC(=O)O)c(C(F)F)c1[N+](=O)[O-]	408715690	CMMJJXCKUDPGFD-UHFFFAOYSA-N	235.146	1.122	5	40	BDBB	
NCc1ccc([N+](=O)[O-])cc1Br	37652692	VMXORVQLHXOZFI-UHFFFAOYSA-N	231.049	1.816	5	40	BDBB	in-vitro
CCONC(=O)c1cccc([N+](=O)[O-])c1C	12752555	NLBUEVJFTLSNBF-UHFFFAOYSA-N	224.216	1.585	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](O)C1	69491636	IYZVXYHAVLTSLB-QMMMGPOBSA-N	226.207	1.305	5	40	BDBB	
CC(=O)N1CCC(=O)c2cc([N+](=O)[O-])ccc21	14982003	OGSMJYXHZMOVED-UHFFFAOYSA-N	234.211	1.534	5	40	BDBB	
COc1cc([N+](=O)[O-])cc2c(C)cc(=O)[nH]c12	16979761	XJTIPGASOZPYCI-UHFFFAOYSA-N	234.211	1.753	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2c(O)nsc2c1	3664448	SZSGLTJRGBVOOH-UHFFFAOYSA-N	241.184	1.818	5	40	BDBB	
O=[N+]([O-])c1cc(F)ccc1N1CCCNCC1	15443225	HFLSWHSIIVSRPS-UHFFFAOYSA-N	239.250	1.534	5	40	BDBB	
Cc1cc(O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1600825	ROJUNUZENWQTJE-UHFFFAOYSA-N	212.161	1.825	5	40	BDBB	
C[C@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1	1685293	NCVICLUIKKDLGU-ZETCQYMHSA-N	206.201	1.760	5	40	BDBB	
O=C1C[C@H](C(=O)O)c2ccc([N+](=O)[O-])cc21	95094165	DSONKBUOHDTUQU-QMMMGPOBSA-N	221.168	1.349	5	40	BDBB	
O=[N+]([O-])c1cc(N2CCCCC2)cnc1O	1504308218	ZBGJAZRIPWYIGK-UHFFFAOYSA-N	223.232	1.686	5	40	BDBB	
COC(=O)c1ccc(C(C)=O)cc1[N+](=O)[O-]	118788068	RZOUDRADIAMCKG-UHFFFAOYSA-N	223.184	1.584	5	40	BDBB	
COC(=O)COc1ccc(C)c([N+](=O)[O-])c1	95438576	SVAHLMZQZMYCMX-UHFFFAOYSA-N	225.200	1.455	5	40	BDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1	15443160	CPSPDIOZYSRWAZ-MRVPVSSYSA-N	239.250	1.532	5	40	BDBB	
O=C(Nc1ccccc1O)c1[nH]ncc1[N+](=O)[O-]	269200	XUNFXBXMNBQXRJ-UHFFFAOYSA-N	248.198	1.276	5	40	BDBB	
C[C@H]1CNCCN1Cc1ccc([N+](=O)[O-])cc1	54373010	LHKSGIODIOZRRH-JTQLQIEISA-N	235.287	1.389	5	40	BDBB	
O=c1nc2sccn2c2ccc([N+](=O)[O-])cc12	4624536	USFHDXLPJZWSOE-UHFFFAOYSA-N	247.235	1.817	5	40	BDBB	
COCCCCn1cc([N+](=O)[O-])c(C)cc1=O	95416418	YJNOYRJCWNCFEA-UHFFFAOYSA-N	240.259	1.492	5	40	BDBB	
CCOCC(=O)N(C)c1cccc([N+](=O)[O-])c1	95973865	YASLZCABIJLCJA-UHFFFAOYSA-N	238.243	1.594	5	40	BDBB	
C[C@@H](O)CNc1ccc(O)cc1[N+](=O)[O-]	37593958	AVALIEPHWXVQNC-ZCFIWIBFSA-N	212.205	1.093	5	40	BDBB	
CCN1CC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	189883335	YGSWEFAPOPNQPA-NSHDSACASA-N	235.243	1.045	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1/C=C/C(=O)O	5053126	KAXCXSIBSOTTRN-HWKANZROSA-N	223.184	1.701	5	40	BDBB	
O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1F	1736007	FMVDUSBGCFWYGL-UHFFFAOYSA-N	204.088	1.781	5	40	BDBB	in-vitro
O=C1CC[C@@H]([N+](=O)[O-])[C@H]([C@H]2CC=CCC2)N1	101241	CGLPKGVDOFMFCQ-NGZCFLSTSA-N	224.260	1.267	5	40	BDBB	
Nc1cc([N+](=O)[O-])cc(Br)c1O	34498271	SLCFPRSRXASEMX-UHFFFAOYSA-N	233.021	1.645	5	40	BDBB	
COc1cc(N)c2ncccc2c1[N+](=O)[O-]	4822819	LRUSFAZZJFDYCC-UHFFFAOYSA-N	219.200	1.734	5	40	BDBB	
CC(=O)n1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O	409331052	DKGNDMJQJOASDH-UHFFFAOYSA-N	249.182	1.072	5	40	BDBB	
C[C@H](O)CNc1ccc(O)cc1[N+](=O)[O-]	37593957	AVALIEPHWXVQNC-LURJTMIESA-N	212.205	1.093	5	40	BDBB	
COc1cc(OC)c(/C=C/[N+](=O)[O-])cc1O	566152	ASLNTTFDBCWDJD-ONEGZZNKSA-N	225.200	1.657	5	40	BDBB	
CN(N)c1ccc(Cl)cc1[N+](=O)[O-]	4276805	HFQXJEUTSLSDEC-UHFFFAOYSA-N	201.613	1.558	5	40	BDBB	
Cc1cc(C(=O)O)nn1-c1ccc([N+](=O)[O-])cc1	8700447	UBFZTQOOPPTHPI-UHFFFAOYSA-N	247.210	1.787	5	40	BDBB	
O=[N+]([O-])c1cccnc1N1CCSCC1	20413154	SWNYGIWPDOFXMA-UHFFFAOYSA-N	225.273	1.543	5	40	BDBB	
CCOC(=N)c1cc([N+](=O)[O-])ccc1N	228917440	BKBWNEZMEFPQPT-UHFFFAOYSA-N	209.205	1.539	5	40	BDBB	
C[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O	20149766	FELSXTCZSJSHHZ-ZCFIWIBFSA-N	242.256	1.665	5	40	BDBB	
Cc1cccc([N+](=O)[O-])c1OCC(=O)O	8732292	BBYQHUJAVVDIRB-UHFFFAOYSA-N	211.173	1.367	5	40	BDBB	
CC(C)([C@@H](O)c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	3080637	GOTKUKFYSUDYKZ-VIFPVBQESA-N	240.215	1.684	5	40	BDBB	
C[C@@H]1S[C@@H](c2cccc([N+](=O)[O-])c2)NC1=O	13943148	ZRBDZCSETAATRB-WKEGUHRASA-N	238.268	1.845	5	40	BDBB	
CC1([N+](=O)[O-])COC(c2ccccc2)OC1	225829	DOQXGNKUXOJWPP-UHFFFAOYSA-N	223.228	1.767	5	40	BDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1	50131339	RBFUHWHGQQEGCL-UHFFFAOYSA-N	249.201	1.813	5	40	BDBB	
C[C@@H]1CNCCN1c1ccccc1[N+](=O)[O-]	54374871	YUYFTFHUUJEVSV-SECBINFHSA-N	221.260	1.393	5	40	BDBB	
CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	4015741	DEFXXVCWEHHUMC-UHFFFAOYSA-N	239.187	1.770	5	40	BDBB	
CC(=O)Nc1c([N+](=O)[O-])cc(O)cc1[N+](=O)[O-]	5698910	QPZXYNRAZUXIAW-UHFFFAOYSA-N	241.159	1.167	5	40	BDBB	
Cc1ccc(OC2CNC2)c([N+](=O)[O-])c1	42770044	CCBYPEAPXRXPBG-UHFFFAOYSA-N	208.217	1.254	5	40	BDBB	
CC(=O)c1ccc(NC[C@@H](C)O)c([N+](=O)[O-])c1	8177601	SDVZHOFOESVVKX-SSDOTTSWSA-N	238.243	1.590	5	40	BDBB	
COC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1	70590043	ZDNIHHPJWKFYHU-JTQLQIEISA-N	226.232	1.014	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nc3cncnc3[nH]2)cc1	17121985	XHUWNQDTKFBGFZ-UHFFFAOYSA-N	241.210	1.928	5	40	BDBB	
CN1CCN(c2ccc(F)c([N+](=O)[O-])c2)CC1	36108780	AQWWLNGQGSKVME-UHFFFAOYSA-N	239.250	1.486	5	40	BDBB	in-vitro
CC(CNC1CCCCC1)([N+](=O)[O-])[N+](=O)[O-]	19324981	NAXMHKJDAKLRTG-UHFFFAOYSA-N	231.252	1.178	5	40	BDBB	
O=C(O)[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1	20594119	LFUIGRHLASJTDI-VIFPVBQESA-N	236.183	1.172	5	40	BDBB	
NC(=O)c1ccc(OC(F)F)cc1[N+](=O)[O-]	5783189	FWCTXIKMFCCAGL-UHFFFAOYSA-N	232.142	1.295	5	40	BDBB	
O=[N+]([O-])c1ccc2nc(CO)ccc2c1	26438525	JDYYLMAWYVNLPY-UHFFFAOYSA-N	204.185	1.635	5	40	BDBB	
C[C@@H]1S[C@H](c2cccc([N+](=O)[O-])c2)NC1=O	9434370	ZRBDZCSETAATRB-QUBYGPBYSA-N	238.268	1.845	5	40	BDBB	
O=[N+]([O-])c1ccc2c([N+](=O)[O-])n[nH]c2c1	77010594	RKSNIPVJLBWEGU-UHFFFAOYSA-N	208.133	1.379	5	40	BDBB	
CCNc1ncnc2ccc([N+](=O)[O-])cc12	81588956	LVXFITAHKJVHQC-UHFFFAOYSA-N	218.216	1.970	5	40	BDBB	
CC(=O)OCC(=O)c1ccccc1[N+](=O)[O-]	16321698	RSPDFTOYBUUVST-UHFFFAOYSA-N	223.184	1.341	5	40	BDBB	
O=[N+]([O-])c1cnc(Br)cc1CCO	1772715319	VOOMKHWJGBWQQS-UHFFFAOYSA-N	247.048	1.287	5	40	BDBB	
O=C(O)COc1ccc([N+](=O)[O-])cc1F	1732239	GTFPUPQBBURCHR-UHFFFAOYSA-N	215.136	1.197	5	40	BDBB	
O=[N+]([O-])c1ccn(COc2ccccc2F)n1	4291282	OMKLRJWVPTXFHW-UHFFFAOYSA-N	237.190	1.967	5	40	BDBB	
COc1cc([N+](=O)[O-])c(NC(C)=O)cc1F	32222822	HFJPRWKLPNLION-UHFFFAOYSA-N	228.179	1.701	5	40	BDBB	in-vitro
CC(=O)[C@@H]1C[C@](C)([N+](=O)[O-])CC[C@@]1(C)O	5712642	AMVMHQODMGEQGU-IVZWLZJFSA-N	215.249	1.162	5	40	BDBB	
CCC[C@]1([N+](=O)[O-])CC[C@](C)(O)[C@H](C(C)=O)C1	5731877	LHIKMPKGTVKURF-SRVKXCTJSA-N	243.303	1.942	5	40	BDBB	
O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2	520256	VHDQBALIKCWKKJ-SLTAFYQDSA-N	218.320	1.788	5	40	BDBB	
Cc1c(C[N+](C)(C)C)n2ccsc2[n+]1C	3407357	KQZRSZSCBNOVMI-UHFFFAOYSA-N	225.361	1.340	5	40	BDBB	
O=[N+]([O-])c1ncn(CCc2ccccc2)n1	9142809	SBURHNKYMHPROC-UHFFFAOYSA-N	218.216	1.429	5	40	BDBB	
NNc1ccc([N+](=O)[O-])cc1Br	5756843	UHKGHIPUJRYJNE-UHFFFAOYSA-N	232.037	1.643	5	40	BDBB	
Cc1ccc([C@@H]2NCCC(=O)N2)cc1[N+](=O)[O-]	408736957	KFQWBAFPPKCPLJ-LLVKDONJSA-N	235.243	1.011	5	40	BDBB	
COc1ccc([N+](=O)[O-])c2c(C)cc(=O)[nH]c12	16979756	WHFUBVHILMWMTG-UHFFFAOYSA-N	234.211	1.753	5	40	BDBB	
O=C1COc2cc(F)c([N+](=O)[O-])cc2N1	34136083	MNUBUFBVOBPANC-UHFFFAOYSA-N	212.136	1.065	5	40	BDBB	
O=[N+]([O-])C[C@@H](SCCO)c1ccc(O)cc1	2474406	PNNYUNVGSFVFRD-SNVBAGLBSA-N	243.284	1.436	5	40	BDBB	
CON(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1	47219238	LPTOOTBXPCZWMJ-UHFFFAOYSA-N	224.216	1.537	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1-n1cccc1CO	223738040	IMYCMKGYJNPUHV-UHFFFAOYSA-N	248.238	1.886	5	40	BDBB	
Nc1c(Cl)cnc(Cl)c1[N+](=O)[O-]	91301647	KKSPBEHNIRVMDY-UHFFFAOYSA-N	208.004	1.879	5	40	BDBB	
CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1	2559544	ZYDCODASTCWZBP-UHFFFAOYSA-N	213.164	1.911	5	40	BDBB	
COCCOc1ccc(C(=O)O)cc1[N+](=O)[O-]	19266277	DDPDFCFYFNARNH-UHFFFAOYSA-N	241.199	1.318	5	40	BDBB	
CCN1C(=O)COc2cc([N+](=O)[O-])ccc21	11691862	MBSPMBIMMKKYMD-UHFFFAOYSA-N	222.200	1.340	5	40	BDBB	
O=[N+]([O-])c1cccc(O[C@@H]2CCNC2)c1	14632275	SRLOKZSYXKQYDZ-SNVBAGLBSA-N	208.217	1.336	5	40	BDBB	
CCCCn1ncc([N+](=O)[O-])c1C(=O)O	408716662	PIOMFRJFNCJWPX-UHFFFAOYSA-N	213.193	1.290	5	40	BDBB	
O=[N+]([O-])c1cccc(-n2nnnc2Cl)c1	72226022	NTTBAKIWBVPSAZ-UHFFFAOYSA-N	225.595	1.224	5	40	BDBB	
CC(=O)Nc1cc(C)c(N)cc1[N+](=O)[O-]	85366003	CCCXDIWJOCYHBR-UHFFFAOYSA-N	209.205	1.444	5	40	BDBB	
COc1ncc(Br)c(O)c1[N+](=O)[O-]	261506959	CYSUHSGNKATGGX-UHFFFAOYSA-N	249.020	1.467	5	40	BDBB	
NCC1(c2ccc([N+](=O)[O-])cc2)CCC1	11848925	IWCMSIICJYSZOA-UHFFFAOYSA-N	206.245	1.975	5	40	BDBB	
COc1cccc(/C=C/C(=O)O)c1[N+](=O)[O-]	2504994	MSMFTNWJLRPBHC-AATRIKPKSA-N	223.184	1.701	5	40	BDBB	
C[C@H]1CNCCN1CCc1ccc([N+](=O)[O-])cc1	54374341	DJJBWWMTXSWIMO-NSHDSACASA-N	249.314	1.431	5	40	BDBB	
CCOC(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C	4294248	PFQXEXHEZQITFU-ZETCQYMHSA-N	227.220	1.224	5	40	BDBB	
O=C(O)CCn1ncc2ccc([N+](=O)[O-])cc21	19385904	UXHLCFYVXHTHSO-UHFFFAOYSA-N	235.199	1.419	5	40	BDBB	in-vitro
C[C@@H](CC(=O)O)n1ncc([N+](=O)[O-])c1C(F)F	408715968	HIHMIQJQKYUXAF-BYPYZUCNSA-N	249.173	1.765	5	40	BDBB	
O=C(O)c1nc2cc([N+](=O)[O-])ccc2o1	98180608	MGLDVYFBVHZENI-UHFFFAOYSA-N	208.129	1.434	5	40	BDBB	
O=C1OCC/C1=C\c1ccc([N+](=O)[O-])cc1	177975	IYGVSTGAXJZLHE-VQHVLOKHSA-N	219.196	1.925	5	40	BDBB	
CC(C)NC(=O)Cc1ccccc1[N+](=O)[O-]	5392336	JEPOINMHSDMQNK-UHFFFAOYSA-N	222.244	1.662	5	40	BDBB	
CCc1nc(Cl)c([N+](=O)[O-])cc1C(=O)O	238277387	CXUJLEAQXRRAAT-UHFFFAOYSA-N	230.607	1.904	5	40	BDBB	
CC(=O)n1nc(C(F)(F)F)c([N+](=O)[O-])c1C	2526342	NXQGVQIRJFHWRT-UHFFFAOYSA-N	237.137	1.779	5	40	BDBB	
O=[N+]([O-])c1ccc(SCCO)c2nonc12	3467139	UPRLGHJIHPTVBV-UHFFFAOYSA-N	241.228	1.215	5	40	BDBB	
CN(N)c1ncc(Br)cc1[N+](=O)[O-]	199546081	NORXXHCVUXWILR-UHFFFAOYSA-N	247.052	1.062	5	40	BDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	22345669	UATJOMSPNYCXIX-UHFFFAOYSA-N	213.105	1.411	5	40	BDBB	in-vitro
CC(C)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	69621279	BRLWUCTXHXNSFD-UHFFFAOYSA-N	237.219	1.346	5	40	BDBB	
C[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1	32797157	YUQHTMGJSLCXNW-SSDOTTSWSA-N	239.231	1.097	5	40	BDBB	
O=C1NC(=O)c2cc([N+](=O)[O-])cc3cccc1c23	178815	CWVQFVQNUBOYEE-UHFFFAOYSA-N	242.190	1.632	5	40	BDBB	
COc1ccc([N+](=O)[O-])c2ccc(C(=O)O)nc12	1607923	NEIJJUTWFPUIIZ-UHFFFAOYSA-N	248.194	1.850	5	40	BDBB	
O=[N+]([O-])c1ccc([C@@H]2CNCCO2)cc1	36154825	SGUCKOYGKLBSOC-JTQLQIEISA-N	208.217	1.256	5	40	BDBB	in-vitro
CON(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl	70153371	JGXRAVBGXIZHEA-UHFFFAOYSA-N	244.634	1.882	5	40	BDBB	
Nc1cc(N)c2[nH]c(=O)c3ccccc3c2c1	16921928	HMIUWTTYFTYNGH-UHFFFAOYSA-N	225.251	1.846	5	40	BDBB	
CCOC(=O)[C@@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1	1598728	FSOMTKWIEYZQMG-VHSXEESVSA-N	237.211	1.598	5	40	BDBB	
O=[N+]([O-])c1cccc2[nH]c(CCCO)nc12	3899491	IZSYORJANNOZDS-UHFFFAOYSA-N	221.216	1.396	5	40	BDBB	
O=C(O)Cc1cc([N+](=O)[O-])c(O)cc1F	97447135	MKXLQZZAIPFYQT-UHFFFAOYSA-N	215.136	1.067	5	40	BDBB	
C[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccccc1	1589549	ARYWOYLHKLLIHV-ZETCQYMHSA-N	215.230	1.083	5	40	BDBB	
CCC(=O)n1cc2ccc([N+](=O)[O-])cc2n1	1715984	IOQDOCBNMCJDKE-UHFFFAOYSA-N	219.200	1.995	5	40	BDBB	
O=[N+]([O-])c1ccn(-c2nc3ccccc3o2)n1	65592716	GZJYVWYDGOIXQE-UHFFFAOYSA-N	230.183	1.922	5	40	BDBB	
COC(=O)c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1	1776011351	BEFGZXYRKZXSMI-UHFFFAOYSA-N	247.210	1.772	5	40	BDBB	
O=[N+]([O-])c1cccnc1NC1CCNCC1	20324486	VMIQVBUDYMBBBA-UHFFFAOYSA-N	222.248	1.154	5	40	BDBB	
CC(C)(O)CNC(=O)c1ccc([N+](=O)[O-])cc1	1710367	NSIIUMUYWPFXIH-UHFFFAOYSA-N	238.243	1.096	5	40	BDBB	
O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]	59229642	ONOWMDPHGJEBAZ-UHFFFAOYSA-N	213.105	1.411	5	40	BDBB	in-vitro
COc1cc(/C=C/[N+](=O)[O-])cc2c1OCO2	2519290	XMXLXUDKGGRTAW-NSCUHMNNSA-N	223.184	1.671	5	40	BDBB	
O=Cc1ccc(N2CCCC2=O)c([N+](=O)[O-])c1	199771031	MUTYMRFXYYKHCV-UHFFFAOYSA-N	234.211	1.534	5	40	BDBB	
O=Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1	15416332	QHFVYOOJFPNSRS-UHFFFAOYSA-N	217.184	1.593	5	40	BDBB	
CC(C)CNc1ncc([N+](=O)[O-])c(N)n1	48544132	MHUSSNHODSRFNM-UHFFFAOYSA-N	211.225	1.035	5	40	BDBB	
CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	4115622	LEDSXFUCNNKEDB-UHFFFAOYSA-N	249.270	1.263	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H]([C@@H]2C[C@H]3C=C[C@H]2C3)N1	100487455	MURDSWGYWHGJMH-GOVZDWNOSA-N	236.271	1.123	5	40	BDBB	
CO[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1O	89540919	NOWYLHKMLFFHLR-ZCFIWIBFSA-N	240.215	1.274	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])ccc1C(C)=O	136717597	NNUZGAKINKNCGB-UHFFFAOYSA-N	223.184	1.584	5	40	BDBB	
Nc1nnc(COc2ccc([N+](=O)[O-])cc2)o1	141987581	MUNRDZLXAUSMFN-UHFFFAOYSA-N	236.187	1.139	5	40	BDBB	
Cn1nc(C2CCCCC2)c([N+](=O)[O-])c1N	96527806	XJPQEZGHXJJSOT-UHFFFAOYSA-N	224.264	1.958	5	40	BDBB	
COC(=O)CSc1sccc1[N+](=O)[O-]	149615	WWNOILHYVBNIRQ-UHFFFAOYSA-N	233.270	1.921	5	40	BDBB	
Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1	971863	WTRLSMZHBYXIEA-UHFFFAOYSA-N	236.256	1.875	5	40	BDBB	
CC(C)(O)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1	66089596	BWDADZDXVSSGHX-UHFFFAOYSA-N	248.242	1.403	5	40	BDBB	
COC(=O)c1cc(N)c(Cl)c([N+](=O)[O-])c1	32918962	DNGLZBFIGKDACR-UHFFFAOYSA-N	230.607	1.617	5	40	BDBB	
COCc1cc([N+](=O)[O-])ccc1N[C@H](C)CO	97144421	QHUCCCDVRBYFSA-MRVPVSSYSA-N	240.259	1.534	5	40	BDBB	
CC(C)(C)C(=O)Cn1cnc([N+](=O)[O-])c1	12544621	TXMFNAOWEWLIEW-UHFFFAOYSA-N	211.221	1.407	5	40	BDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1Cl	163906	QGEACCYXLCMQFM-UHFFFAOYSA-N	214.608	1.608	5	40	BDBB	
O=[N+]([O-])c1cccc(-c2ccnc3ncnn23)c1	4736759	YVKUNWYNXIQFGX-UHFFFAOYSA-N	241.210	1.700	5	40	BDBB	
O=[N+]([O-])c1cc(CSC[C@H](O)CO)cs1	89764679	SMTQJDUPNFBCLI-SSDOTTSWSA-N	249.313	1.243	5	40	BDBB	
O=[N+]([O-])c1ccc([S@](=O)O)c([N+](=O)[O-])c1	34108027	KGHYRBRFQZUPSE-UHFFFAOYSA-N	232.173	1.084	5	40	BDBB	
COc1c(C(=O)O)ccn2cc([N+](=O)[O-])cc12	217656920	VQUSFPSZKGVFLR-UHFFFAOYSA-N	236.183	1.554	5	40	BDBB	
CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1	20324391	KBEKTNLLGLGMJM-ZETCQYMHSA-N	211.221	1.173	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1N[C@H](C)CCO	77226172	LHIDPYZLOZXHTG-MRVPVSSYSA-N	225.248	1.481	5	40	BDBB	
O=[N+]([O-])c1cccnc1NC[C@@H]1CCCO1	20024256	KLRBXKGXINREBS-QMMMGPOBSA-N	223.232	1.581	5	40	BDBB	
Nc1c([N+](=O)[O-])cnnc1-c1ccccc1	4114445	UKLNAKDYQHIOGL-UHFFFAOYSA-N	216.200	1.634	5	40	BDBB	
O=[N+]([O-])c1cc(-n2cnnc2)ccc1F	70461541	QDYZJAZUNARQSR-UHFFFAOYSA-N	208.152	1.315	5	40	BDBB	
Nc1nc(=O)c2cnc3ccc(F)cc3c2s1	19702772	SDCGNUYDFVHOAL-UHFFFAOYSA-N	247.254	1.926	5	40	BDBB	
Cc1c(NCC(=O)NC2CC2)cccc1[N+](=O)[O-]	9911265	ZJVDSPCHZGEYEM-UHFFFAOYSA-N	249.270	1.594	5	40	BDBB	
O=C(O)CCNCc1cccc([N+](=O)[O-])c1	36891902	YNQQROHEPQOJHT-UHFFFAOYSA-N	224.216	1.159	5	40	BDBB	
O=C(O)Cc1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1	72220756	RPAWAJODKWLKEK-UHFFFAOYSA-N	247.210	1.612	5	40	BDBB	
O=C(O)c1cnc2cc([N+](=O)[O-])ccc2c1O	5606478	HGHKRTOZDXYURD-UHFFFAOYSA-N	234.167	1.547	5	40	BDBB	
Nc1cc(C(=O)O)c([N+](=O)[O-])cc1Cl	59366665	OLWAMVNZYHLIMZ-UHFFFAOYSA-N	216.580	1.529	5	40	BDBB	
Cc1cc(C)c(-n2cnnc2)c([N+](=O)[O-])c1	70462814	HMWFCKUISHJPME-UHFFFAOYSA-N	218.216	1.792	5	40	BDBB	
C[C@](Cl)(CO[C@H]1CCCCO1)[N+](=O)[O-]	34586431	XXIXCGZPUSLGPY-JGVFFNPUSA-N	223.656	1.761	5	40	BDBB	in-vitro
Cn1ncc([N+](=O)[O-])c1N1CCCCC1	4729985	AYBJWQOPVRJOSD-UHFFFAOYSA-N	210.237	1.319	5	40	BDBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccon1	92547647	XZPOKTRBPGBTNK-UHFFFAOYSA-N	249.182	1.541	5	40	BDBB	
CCCCC[C@]1([N+](=O)[O-])COCN(C)C1	31925014	GMEAGYKVINHKIG-SNVBAGLBSA-N	216.281	1.502	5	40	BDBB	
Nc1n[nH]c2c([N+](=O)[O-])ccc(Cl)c12	40564645	IUSPKTIVYGCXMZ-UHFFFAOYSA-N	212.596	1.707	5	40	BDBB	
Cc1cc([N+](=O)[O-])cnc1N(C)CC[C@H](C)O	78416737	CACHROVLADCDEY-VIFPVBQESA-N	239.275	1.505	5	40	BDBB	
COc1ccc2oc3c(ccc[n+]3C)c(=O)c2c1	1610820	JIDZGBTTZJCTCJ-UHFFFAOYSA-N	242.254	1.779	5	40	BDBB	
CCOc1ccc([N+](=O)[O-])cc1N(C)C(C)=O	1705727	WVDNXZLGHXBTTM-UHFFFAOYSA-N	238.243	1.976	5	40	BDBB	
Cc1sc2cc([N+](=O)[O-])ccc2[n+]1C	2156532	KXRMONLWGVERSU-UHFFFAOYSA-N	209.250	1.942	5	40	BDBB	
COC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1	6824116	DBVLYSUNWRLNSO-SSDOTTSWSA-N	225.200	1.535	5	40	BDBB	
Cc1cc(Cn2c([N+](=O)[O-])cnc2C)no1	69740681	PSOAHUKVQZWILX-UHFFFAOYSA-N	222.204	1.444	5	40	BDBB	
O=C(O)C[C@@H](C[N+](=O)[O-])c1cccc(F)c1	217536245	VSLBQYPDDBWCSS-QMMMGPOBSA-N	227.191	1.661	5	40	BDBB	
O=[N+]([O-])c1ccccc1-n1cccc1CO	223738539	FZRYZSWHHOZQBZ-UHFFFAOYSA-N	218.212	1.878	5	40	BDBB	
CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	305102	AYMSQYWHOFXMCF-UHFFFAOYSA-N	214.608	1.608	5	40	BDBB	
CCOC(=O)CC[N+]1(C)CCCCC1	1556639	VHMKEKCCVAQACI-UHFFFAOYSA-N	200.302	1.570	5	40	BDBB	
CCOC(=O)c1cc2c(N)cc([N+](=O)[O-])cc2[nH]1	21982366	HIWNTCDZXGYDBQ-UHFFFAOYSA-N	249.226	1.835	5	40	BDBB	
CCOC(=O)c1nc2ccccn2c1[N+](=O)[O-]	36373601	MYRXPQNHKXKXMD-UHFFFAOYSA-N	235.199	1.419	5	40	BDBB	
O=Cc1ccc([N+](=O)[O-])c(N2CC(F)(F)C2)c1	95081148	HHSSTHHGYQDZET-UHFFFAOYSA-N	242.181	1.863	5	40	BDBB	
O=[N+]([O-])c1ccccc1O[C@H]1CCCNC1	42782901	VZOUXOOGUDTNEJ-VIFPVBQESA-N	222.244	1.726	5	40	BDBB	
CC(=O)N(C)CCOc1ccc([N+](=O)[O-])cc1	71405356	XASIWRBSHMCMEA-UHFFFAOYSA-N	238.243	1.452	5	40	BDBB	
CC(C)Oc1nn(CCC(=O)O)cc1[N+](=O)[O-]	408715753	DEVAKNOHNBOMII-UHFFFAOYSA-N	243.219	1.053	5	40	BDBB	
O=c1[nH]c(O)nc2cc(Cl)c([N+](=O)[O-])cc12	1606422	ZOCGHLGJCUHECJ-UHFFFAOYSA-N	241.590	1.190	5	40	BDBB	
CO[C@H]1O[C@@H](OC)c2ccc([N+](=O)[O-])cc21	1621457	GPXMTUUVYMYPHE-ZJUUUORDSA-N	225.200	1.915	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@H]([C@@H]2CC=CCC2)N1	4377634	CGLPKGVDOFMFCQ-KKZNHRDASA-N	224.260	1.267	5	40	BDBB	
CCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12	32796742	MZOOAAJOXXQMKX-UHFFFAOYSA-N	248.242	1.611	5	40	BDBB	
C[C@H]1Cc2cc([N+](=O)[O-])cc(C(=O)O)c2O1	218820275	ZHXWYZYHSLZQAC-YFKPBYRVSA-N	223.184	1.616	5	40	BDBB	
C[C@H](O)COC(=O)c1ccc([N+](=O)[O-])cc1	34538925	LWBKCZGKJDVOHV-ZETCQYMHSA-N	225.200	1.132	5	40	BDBB	
Nc1ccnn1-c1ccc([N+](=O)[O-])cc1	37245368	NORCOSFUIHPSGT-UHFFFAOYSA-N	204.189	1.363	5	40	BDBB	in-vitro
C[C@@H](C(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408716639	PBAIIDKBNVBPJZ-VKHMYHEASA-N	235.146	1.375	5	40	BDBB	
CNC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21	95097351	UUCYAEGPCIAFOP-UHFFFAOYSA-N	233.227	1.296	5	40	BDBB	
CCOC(=O)C(=O)Cc1sccc1[N+](=O)[O-]	1601594	MNXMZYYQLKQJHX-UHFFFAOYSA-N	243.240	1.331	5	40	BDBB	
O=C1CCCC(=O)N1Cc1ccc([N+](=O)[O-])cc1	95348308	FRAGOVMVAASSOM-UHFFFAOYSA-N	248.238	1.634	5	40	BDBB	in-vitro
C[C@@H]1Oc2ccc([N+](=O)[O-])cc2N(C)C1=O	5723213	DCBVQSIPKBRMKJ-LURJTMIESA-N	222.200	1.339	5	40	BDBB	
C[C@@H](COC(=O)c1ccccc1)[N+](=O)[O-]	1733905	KSAIPBINPVHIPW-QMMMGPOBSA-N	209.201	1.509	5	40	BDBB	
COc1ccc([S@@](=O)O)c([N+](=O)[O-])c1	39369802	BHPHSJAGLHXVAL-UHFFFAOYSA-N	217.202	1.184	5	40	BDBB	
C[C@@H](N)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	82751644	RSKKLOVGEVEZNZ-SSDOTTSWSA-N	247.258	1.323	5	40	BDBB	
O=C(O)CC(=O)c1ccccc1[N+](=O)[O-]	16449190	PJDGOXXKHPBMQA-UHFFFAOYSA-N	209.157	1.252	5	40	BDBB	
CC1(C)OC2(C=CC(C)([N+](=O)[O-])C=C2)OC1=O	1581389	MBYLKEOTDWNNLU-UHFFFAOYSA-N	239.227	1.196	5	40	BDBB	
COCCOc1ccc([N+](=O)[O-])cc1F	60806994	RAOQBDPJGWLCFC-UHFFFAOYSA-N	215.180	1.759	5	40	BDBB	
Cc1nc(COc2cccc([N+](=O)[O-])c2)no1	48388056	WHOWOZGQWFBRQV-UHFFFAOYSA-N	235.199	1.865	5	40	BDBB	
COC1=C[C@H](c2ccccc2[N+](=O)[O-])OC1=O	1728924	SFRJBLUSENMWQS-SECBINFHSA-N	235.195	1.723	5	40	BDBB	
N[C@@H](Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)O	6321328	LUAYFXQVDYRNFE-QMMMGPOBSA-N	244.634	1.203	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2CO)cc1	4520905	HCVBBVTZZJFVLA-LLVKDONJSA-N	222.244	1.556	5	40	BDBB	
CC(C)(CC(=O)O)c1ccc(N)c([N+](=O)[O-])c1	68675222	IQGVXFYKFNVCRJ-UHFFFAOYSA-N	238.243	1.929	5	40	BDBB	
C[C@H](NC(N)=O)c1ccccc1[N+](=O)[O-]	71617981	RPTYLMDRHRHLFE-LURJTMIESA-N	209.205	1.324	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(NCC(C)C)n1	95098536	JLLUSDGPAHQBSE-UHFFFAOYSA-N	212.253	1.879	5	40	BDBB	
CCOc1ccc(Cn2cnc([N+](=O)[O-])n2)nc1	83203580	UIMDXMGCZUHFFI-UHFFFAOYSA-N	249.230	1.028	5	40	BDBB	
O=C1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1	1714323	AYGLHNBZQHEGSR-YWEYNIOJSA-N	232.195	1.025	5	40	BDBB	
O=[N+]([O-])c1ccc2nc(C3CC3)nn2c1	82749393	ZPHOTSMBGWTEMG-UHFFFAOYSA-N	204.189	1.515	5	40	BDBB	
COc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N	5549988	RAGDZFDTRGPPFN-UHFFFAOYSA-N	213.149	1.094	5	40	BDBB	
Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1	100072632	PFURZMDZLVUZIB-UHFFFAOYSA-N	219.200	1.382	5	40	BDBB	
Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)O	44225023	KHXIPGBFCRIAME-UHFFFAOYSA-N	216.580	1.529	5	40	BDBB	
COC(=O)c1ccc(F)c([N+](=O)[O-])c1O	66325735	WCFZLXHYGBOJQT-UHFFFAOYSA-N	215.136	1.226	5	40	BDBB	
C[C@H](CC(=O)O)n1cc([N+](=O)[O-])c(C(F)F)n1	408715563	BSLLJRODYODDPW-SCSAIBSYSA-N	249.173	1.765	5	40	BDBB	
CC(C)([C@@H](O)c1ccc(F)cc1)[N+](=O)[O-]	526049376	BQDCKEYSOFYOKS-VIFPVBQESA-N	213.208	1.914	5	40	BDBB	
COc1ccc(-n2cnnc2)cc1[N+](=O)[O-]	70461538	IIIDIPUELOOWCT-UHFFFAOYSA-N	220.188	1.184	5	40	BDBB	
Nc1c(C(=O)O)cnn1-c1cccc([N+](=O)[O-])c1	75440114	MNVLIFWKCSLHBX-UHFFFAOYSA-N	248.198	1.061	5	40	BDBB	
CC(C)N(C)C(=O)Nc1ccncc1[N+](=O)[O-]	96500698	NPCCXZDAODCEGU-UHFFFAOYSA-N	238.247	1.862	5	40	BDBB	
O=[N+]([O-])c1ccc([C@H]2CNCCO2)cc1	36154828	SGUCKOYGKLBSOC-SNVBAGLBSA-N	208.217	1.256	5	40	BDBB	in-vitro
CC(C)/N=c1\ccccn1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	44408596	CGFCLQNOPOFDPJ-GOKIVBARSA-N	249.270	1.103	5	40	BDBB	
COc1sc(C(=O)O)cc1[N+](=O)[O-]	39085241	SDYMNGIZIXLJJM-UHFFFAOYSA-N	203.175	1.363	5	40	BDBB	
O=[N+]([O-])c1c2c(cc3c1C[C@H](CO)C3)CCC2	2113474293	GPZUKFFJLZUJRQ-MRVPVSSYSA-N	233.267	1.791	5	40	BDBB	
Cc1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1	2529765	MXGITBULPTZNHM-UHFFFAOYSA-N	217.202	1.150	5	40	BDBB	
Cn1c(S)nc2cc([N+](=O)[O-])ccc21	111856106	FZIAMXGBPCWMEX-UHFFFAOYSA-N	209.230	1.770	5	40	BDBB	
c1ccc(N2CC[N+]3(CCCC3)CC2)nc1	19702121	PDWBQXNXHUPCCT-UHFFFAOYSA-N	218.324	1.512	5	40	BDBB	
O=C(NCCCF)Nc1ccncc1[N+](=O)[O-]	97080961	ZWFKLRFVNHUDFW-UHFFFAOYSA-N	242.210	1.471	5	40	BDBB	
O=[N+]([O-])c1cccc(SNCCO)c1	1563328	NVFBDBQCGAEBHJ-UHFFFAOYSA-N	214.246	1.184	5	40	BDBB	
C[N+]1(C[C@@H](O)c2ccccc2)CCOCC1	1668340	IRELKPHNANAQBL-CYBMUJFWSA-N	222.308	1.197	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])cc2[nH]ccc12	43220633	PGBLJFAKGKGOCX-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	in-vitro
Cc1c(C)[n+]([O-])c(-c2cccc([N+](=O)[O-])c2)n1O	3190194	CRQGJIZFZAEXPX-UHFFFAOYSA-N	249.226	1.551	5	40	BDBB	
COCCNCc1cccc([N+](=O)[O-])c1	6169815	SFRPTLAPYFUORQ-UHFFFAOYSA-N	210.233	1.331	5	40	BDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccno1	10254016	ZWBPEPPZCZCARY-UHFFFAOYSA-N	233.183	1.835	5	40	BDBB	
COc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2	38540867	RQHQOJGLMDXOQX-UHFFFAOYSA-N	222.200	1.488	5	40	BDBB	in-vitro
O=[N+]([O-])c1cc([N+](=O)[O-])c2cn[nH]c2c1	4086015	XDUJSJUGOHAQFZ-UHFFFAOYSA-N	208.133	1.379	5	40	BDBB	in-vitro
COc1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1	16698150	WWYMTCLDNGUQFF-UHFFFAOYSA-N	220.184	1.445	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(C[C@@H](C)C(=O)O)n1	40447926	KDNGKYRXJNLXCR-ZCFIWIBFSA-N	240.215	1.262	5	40	BDBB	
CO[C@H]1O[C@@H](OC)c2cc([N+](=O)[O-])ccc21	1621460	GPXMTUUVYMYPHE-VHSXEESVSA-N	225.200	1.915	5	40	BDBB	
N[C@H](Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)O	6321330	LUAYFXQVDYRNFE-MRVPVSSYSA-N	244.634	1.203	5	40	BDBB	
CC(C)(C(N)=O)c1cccc([N+](=O)[O-])c1	82046564	KUNWLVWLBVXLTQ-UHFFFAOYSA-N	208.217	1.358	5	40	BDBB	
N[C@H](Cc1c[nH]c2cc([N+](=O)[O-])ccc12)C(=O)O	1692562	AWLWPSSHYJQPCH-SECBINFHSA-N	249.226	1.031	5	40	BDBB	in-vitro
O=Cc1ccc([N+](=O)[O-])c(Cl)c1C(=O)O	536954895	RBSWLICQKXDMOR-UHFFFAOYSA-N	229.575	1.759	5	40	BDBB	
C[C@H](Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)O	5929900	BMFORKAFSIKZRL-ZCFIWIBFSA-N	246.244	1.241	5	40	BDBB	
Cc1c(O)nc2cc([N+](=O)[O-])ccc2c1O	685937400	TUTUZLDVHRHQMX-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	
Cc1csc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])n1	47239775	MEGRFEMDMIRMFS-WDSKDSINSA-N	227.245	1.055	5	40	BDBB	
N=C(N)SCc1cccc([N+](=O)[O-])c1	5188919	HAGADBVKCDLEFJ-UHFFFAOYSA-N	211.246	1.721	5	40	BDBB	
CC(=O)n1ncc2ccc([N+](=O)[O-])cc21	1743481	WSXCTLIUIZUIPX-UHFFFAOYSA-N	205.173	1.605	5	40	BDBB	
O=[N+]([O-])c1cccnc1OCC1CCOCC1	67802479	DELVZEYAKPYHJR-UHFFFAOYSA-N	238.243	1.795	5	40	BDBB	
O=[N+]([O-])c1cc(-n2cccn2)cc([N+](=O)[O-])c1	15084453	XZXDFDQARZEDEW-UHFFFAOYSA-N	234.171	1.689	5	40	BDBB	
O=[N+]([O-])c1cc2nsnc2c2nsnc12	2067671	OGLXPZROGSBLDV-UHFFFAOYSA-N	239.241	1.604	5	40	BDBB	
OCC1=CC[N+]2(Cc3ccccc3)CC[C@@H](O)[C@H]12	5017993	MPDVSGSUYGUBLA-YSPPHNQVSA-N	246.330	1.069	5	40	BDBB	
C[N+]1(C)CCC[C@](O)(C(=O)c2ccccc2)C1	5385262	SGSHQDHMCOLJDQ-CQSZACIVSA-N	234.319	1.471	5	40	BDBB	
CCN1C(=O)[C@@H](C)Oc2cc([N+](=O)[O-])ccc21	11691857	ITIBRWMLVGOVRF-SSDOTTSWSA-N	236.227	1.729	5	40	BDBB	
NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	20136296	XNXANDLJYPLHOB-UHFFFAOYSA-N	234.255	1.892	5	40	BDBB	
Cn1ncc([N+](=O)[O-])c1NC(=O)c1ccco1	184412298	STAAXQAQOUQKED-UHFFFAOYSA-N	236.187	1.174	5	40	BDBB	
COCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5104470	DRKJJTLFMVDYLU-UHFFFAOYSA-N	241.203	1.561	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])ncn1Cc1ccccc1	16677906	PYRJLVPDLIDBNE-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
O=[N+]([O-])c1cccnc1NC1CCC(O)CC1	20559935	HENWAIVDBVYMHS-UHFFFAOYSA-N	237.259	1.705	5	40	BDBB	
O=[N+]([O-])c1cccc(CN2CCC[C@H]2CO)c1	50113931	KWXQVRVJFDDMAX-LBPRGKRZSA-N	236.271	1.552	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1-n1nnc2ccccc21	9219653	ADIKNQSXYRWEEN-UHFFFAOYSA-N	244.214	1.062	5	40	BDBB	
CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	95883485	DBFXVOLMGLPKMW-UHFFFAOYSA-N	235.287	1.737	5	40	BDBB	
O=[N+]([O-])c1ccccc1CSCCO	35205704	MJNVUOXCYDIUBX-UHFFFAOYSA-N	213.258	1.820	5	40	BDBB	
COc1cc(CC(C)(C)[N+](=O)[O-])ccc1O	72408204	JONYOTNJLSILKK-UHFFFAOYSA-N	225.244	1.999	5	40	BDBB	
CCOc1ccc([N+](=O)[O-])c(C(=O)O)c1	22214518	VMMWCLBSFKXENH-UHFFFAOYSA-N	211.173	1.692	5	40	BDBB	in-vitro
O=C(O)c1ccn2c(=O)c3ccccc3nc2c1	27859086	VYVYBMNHIVRPGG-UHFFFAOYSA-N	240.218	1.546	5	40	BDBB	
CC[C@@H]([N+](=O)[O-])S(=O)(=O)c1ccc(C)cc1	5599099	ZXUBNAPNIFKMMX-JTQLQIEISA-N	243.284	1.782	5	40	BDBB	
COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)OC	104816343	FUTHRNWZVKKSPQ-JTQLQIEISA-N	239.227	1.325	5	40	BDBB	
CCOc1ccc(CC(=O)O)cc1[N+](=O)[O-]	3750874	VAJLZGXUIFUUHK-UHFFFAOYSA-N	225.200	1.621	5	40	BDBB	
O=[N+]([O-])c1ccc2[nH]c3nc(S)nnc3c2c1	7036617	KYQSEWZQJVEUQY-UHFFFAOYSA-N	247.239	1.703	5	40	BDBB	
CCOC(=O)c1cnn2ccc([N+](=O)[O-])cc12	90470910	KJZWPZDSRYGTRT-UHFFFAOYSA-N	235.199	1.419	5	40	BDBB	
O=[N+]([O-])c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1	67796691	BKXUMOCJRVECDC-UHFFFAOYSA-N	248.198	1.748	5	40	BDBB	
COc1ccc(C(C)=O)c([N+](=O)[O-])c1OC	66325779	SLMBURGYPGSXJL-UHFFFAOYSA-N	225.200	1.815	5	40	BDBB	
CC(C)NC(=O)CNc1ccccc1[N+](=O)[O-]	7365714	YTPYQXRTELDRBD-UHFFFAOYSA-N	237.259	1.531	5	40	BDBB	
O=Cc1cc2c(cc1[N+](=O)[O-])OCCO2	3850587	GXHARUBNCVHGDM-UHFFFAOYSA-N	209.157	1.179	5	40	BDBB	biogenic,in-vitro
CC(=O)Nc1c(O)ccc([N+](=O)[O-])c1[N+](=O)[O-]	72260268	FBXNQEXQCGBWPX-UHFFFAOYSA-N	241.159	1.167	5	40	BDBB	
Cc1nc2ccc([N+](=O)[O-])cn2c1C(=O)O	19953108	WQIZDHFHJFLOOY-UHFFFAOYSA-N	221.172	1.249	5	40	BDBB	
COc1cc(C(=O)O)nc2ccc([N+](=O)[O-])cc12	40247	QXUIWGSCIJUQKI-UHFFFAOYSA-N	248.194	1.850	5	40	BDBB	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)O	4774486	MTVSAEYQYDFDBZ-LURJTMIESA-N	246.244	1.241	5	40	BDBB	
C[N+]1(C)[C@@H]2COC[C@@H]1CC(O)(c1ccccc1)C2	101043155	KDXXRMZSQOBKCE-KBPBESRZSA-N	248.346	1.512	5	40	BDBB	
C[C@@]1(Cn2cc([N+](=O)[O-])nc2Cl)CO1	34826084	SZMDGYNOADBVSR-SSDOTTSWSA-N	217.612	1.234	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])n(CC(F)(F)F)n1	72209691	FMMIKTKCCZXOCC-UHFFFAOYSA-N	239.109	1.052	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	95098486	SABNNEOXMWNHAL-UHFFFAOYSA-N	225.126	1.269	5	40	BDBB	
COCc1nc2ccc([N+](=O)[O-])cc2[nH]1	11735013	QCELJNOTPCZKRF-UHFFFAOYSA-N	207.189	1.618	5	40	BDBB	
Cc1nnc(-c2ccc(O)c([N+](=O)[O-])c2)o1	101205093	BXWINNBLGOLNLW-UHFFFAOYSA-N	221.172	1.659	5	40	BDBB	
COc1cc(C(N)=O)cc([N+](=O)[O-])c1Cl	1503997213	OGHNIYDWPIXGMG-UHFFFAOYSA-N	230.607	1.356	5	40	BDBB	
CCCn1cc([N+](=O)[O-])c(Br)n1	675032502	XYBZTWUCPOXXAG-UHFFFAOYSA-N	234.053	1.964	5	40	BDBB	
CC(=O)c1ncc([N+](=O)[O-])cc1Br	169800446	JSHJPRIMTYZVLP-UHFFFAOYSA-N	245.032	1.955	5	40	BDBB	
C[C@@](O)(CC(=O)O)c1ccc([N+](=O)[O-])cc1	8579238	KJKUAEMIKPSAOU-SNVBAGLBSA-N	225.200	1.277	5	40	BDBB	
O=c1[nH]c(O)nc2nc3ccccc3cc12	5117525	KWHWFTSHDPJOTG-UHFFFAOYSA-N	213.196	1.177	5	40	BDBB	in-vitro
O=[N+]([O-])C1(Cl)CCC(Cl)([N+](=O)[O-])CC1	1564082	XKGLUQQFSHYTCA-UHFFFAOYSA-N	243.046	1.984	5	40	BDBB	
N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1	50227752	QSZRYYRJYVORIT-SNVBAGLBSA-N	221.260	1.128	5	40	BDBB	
CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C	6979875	OEWPSULDCYJLSP-UHFFFAOYSA-N	223.232	1.020	5	40	BDBB	
Cc1nnc2ccc([N+](=O)[O-])cc2c1N	4552233	KPIXFCYJFVOTCC-UHFFFAOYSA-N	204.189	1.429	5	40	BDBB	
CN(C)CC[C@@H](O)c1ccc([N+](=O)[O-])cc1	6437084	OLLHTTSCHCHUGQ-LLVKDONJSA-N	224.260	1.580	5	40	BDBB	
O=C1CSc2cc([N+](=O)[O-])ccc2N1	5810511	OOICZQBVVODNDJ-UHFFFAOYSA-N	210.214	1.639	5	40	BDBB	
NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	20457745	UHIQIZHKFBGXFN-UHFFFAOYSA-N	235.287	1.518	5	40	BDBB	
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1	25311689	YXXVXDPZXWVOQT-UHFFFAOYSA-N	246.226	1.581	5	40	BDBB	
N=C(N)c1c[nH]c2ccc([N+](=O)[O-])cc12	22015803	JDPPZGHPLQRBHS-UHFFFAOYSA-N	204.189	1.360	5	40	BDBB	
CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	3188511	DIMVLSWEUOUYFE-UHFFFAOYSA-N	234.211	1.601	5	40	BDBB	
COc1cc([N+](=O)[O-])c(OC)cc1C(C)=O	1577980	CJOQYAAZHIEKPX-UHFFFAOYSA-N	225.200	1.815	5	40	BDBB	
CN1C(=O)Cc2cc([N+](=O)[O-])cc(F)c21	59697759	SZKVETRZYWTMOM-UHFFFAOYSA-N	210.164	1.253	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NCc1cccc(O)c1	49227840	RFYBPUNCSBIYKW-UHFFFAOYSA-N	248.242	1.646	5	40	BDBB	
Cc1cc(=O)[nH]c(-c2cccc([N+](=O)[O-])c2)n1	37504306	KARNKVSAHWHQJK-UHFFFAOYSA-N	231.211	1.654	5	40	BDBB	
Cn1nnc2c([N+](=O)[O-])c(Cl)ccc21	218255916	ONSUDSYZYRYKKY-UHFFFAOYSA-N	212.596	1.530	5	40	BDBB	
COC(=O)c1nn(C(C)C)cc1[N+](=O)[O-]	72339695	NYZVRMZHMLYEQW-UHFFFAOYSA-N	213.193	1.159	5	40	BDBB	
O=[N+]([O-])c1cccc([N+](=O)[O-])c1-n1cncn1	95116245	YTEBSHLMCKSUET-UHFFFAOYSA-N	235.159	1.084	5	40	BDBB	
NNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1	11567899	UPZRMKUKTKWQKL-UHFFFAOYSA-N	231.215	1.337	5	40	BDBB	
Cc1cc(O[C@H]2CCNC2)ccc1[N+](=O)[O-]	14632278	PRIBNNSMGXTXTJ-JTQLQIEISA-N	222.244	1.644	5	40	BDBB	
N=C(N)SCc1ccc(O)c([N+](=O)[O-])c1	20029198	XXWBWVYAPSRHPQ-UHFFFAOYSA-N	227.245	1.427	5	40	BDBB	
COC[C@H](C)NCc1ccccc1[N+](=O)[O-]	54991788	PVMCZLMYYOZXCK-VIFPVBQESA-N	224.260	1.719	5	40	BDBB	
C[C@@H](Nc1ccc([N+](=O)[O-])cn1)[C@H]1CCCO1	35216657	LYSGMXFNYDPMNZ-PSASIEDQSA-N	237.259	1.969	5	40	BDBB	
CNc1ccc([N+](=O)[O-])c(Cl)c1C(=O)O	536953772	JVHXTXCRHBTYBS-UHFFFAOYSA-N	230.607	1.988	5	40	BDBB	
CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)OC	34465597	IJFYCVWWJZYSKY-UHFFFAOYSA-N	240.215	1.362	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccccc1CNC1CCNCC1	50015629	INRZKCFJQVBLOG-UHFFFAOYSA-N	235.287	1.436	5	40	BDBB	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCO1	5765445	DEALXJORQWHYGS-SNVBAGLBSA-N	236.227	1.712	5	40	BDBB	
CCOC(=O)CSc1ncccc1[N+](=O)[O-]	34098825	ARPVEEBNSSEKNA-UHFFFAOYSA-N	242.256	1.645	5	40	BDBB	biogenic,in-vitro
CCOc1cc2[nH]ccc(=O)c2cc1[N+](=O)[O-]	1772715091	ZJSASGIWGPHAAD-UHFFFAOYSA-N	234.211	1.835	5	40	BDBB	
COc1cc(/C=C/C(=O)O)cc([N+](=O)[O-])c1O	1747230	PQFQIWNHGCVXIB-NSCUHMNNSA-N	239.183	1.407	5	40	BDBB	
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)O	4245179	XEQLRISLKFDSEK-UHFFFAOYSA-N	240.215	1.368	5	40	BDBB	
COc1ccc(OC)c([C@@H](O)C[N+](=O)[O-])c1	96300564	QRPRIJUIJFISJN-VIFPVBQESA-N	227.216	1.014	5	40	BDBB	in-vitro
CN(Cc1cccc([N+](=O)[O-])c1)c1cnn(C)c1	81091093	GGGZUBSVCSPFRW-UHFFFAOYSA-N	246.270	1.965	5	40	BDBB	
Cc1cnnn1-c1cccc([N+](=O)[O-])c1	192390	VNQRMVQUNGGJBT-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
Cc1nc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C	47247873	BWNHCDJOCXQLDN-RNFRBKRXSA-N	241.272	1.364	5	40	BDBB	
CC(=O)C(C(C)=O)c1ccccc1[N+](=O)[O-]	100354097	CBYZMHCTWCVYKF-UHFFFAOYSA-N	221.212	1.856	5	40	BDBB	
Cc1nc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])sc1C	47247872	BWNHCDJOCXQLDN-BQBZGAKWSA-N	241.272	1.364	5	40	BDBB	
Cc1nn([C@H](C)CC(=O)O)cc1[N+](=O)[O-]	408717018	UWGGOYWJJHIHAI-RXMQYKEDSA-N	213.193	1.135	5	40	BDBB	
N[C@H](C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1	72196413	NUDGYQKUPLHRFA-ZETCQYMHSA-N	230.607	1.333	5	40	BDBB	
O=C(O)/C(S)=C\c1ccccc1[N+](=O)[O-]	103754996	FPWYECZNLFRQEO-VMPITWQZSA-N	225.225	1.950	5	40	BDBB	
CC(C)Cn1ncc([N+](=O)[O-])c1C(=O)O	408716076	IONMOLOVKSSEKK-UHFFFAOYSA-N	213.193	1.146	5	40	BDBB	
CC(C)(C)n1c[n+]([O-])c2cc([N+](=O)[O-])ccc21	3158757	QVZRTLJKGZKBHN-UHFFFAOYSA-N	235.243	1.938	5	40	BDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1	4773290	HZFREYKCBLRUCP-NXEZZACHSA-N	235.287	1.781	5	40	BDBB	
Cc1cccc2c(O)c([N+](=O)[O-])c(=O)[nH]c12	6161027	QKVRYPMJNCQYGL-UHFFFAOYSA-N	220.184	1.450	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCCO2)c(F)c1	97108359	ZSGCJWIZLOGOAI-UHFFFAOYSA-N	212.180	1.876	5	40	BDBB	
COC(=O)c1c(N)ccc([N+](=O)[O-])c1C	39084177	FCHYFMJAPJAFPN-UHFFFAOYSA-N	210.189	1.272	5	40	BDBB	
C[N+](C)(C)C[C@H]1CCC[C@H](C[N+](C)(C)C)C1O	1620426	RGEJGKAPVHMJMK-CHWSQXEVSA-N	244.423	1.176	5	40	BDBB	
COC(=O)C(=O)Cc1cccc(C)c1[N+](=O)[O-]	71780867	ZWOSCOASHOELED-UHFFFAOYSA-N	237.211	1.188	5	40	BDBB	
Cn1c2ccccc2n2nc3ccccc3[n+]12	136203775	ZMNICSIMJSXCPI-UHFFFAOYSA-N	223.259	1.565	5	40	BDBB	
O=[N+]([O-])c1ccc(NC2CCNCC2)nc1	20324415	QMRGAWZGIOCHLH-UHFFFAOYSA-N	222.248	1.154	5	40	BDBB	
CNC(=N)c1cc(Cl)cc([N+](=O)[O-])c1	48186	PUKYJKJKFTWCAV-UHFFFAOYSA-N	213.624	1.793	5	40	BDBB	
O=[N+]([O-])c1cccnc1OC[C@H]1CCCCO1	67802477	VUTVSWRKFGCLRI-SECBINFHSA-N	238.243	1.938	5	40	BDBB	
NNc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	13609504	ZCJQHDZDDSXNDY-UHFFFAOYSA-N	232.583	1.442	5	40	BDBB	
CCc1ccc(NCC(=O)OC)cc1[N+](=O)[O-]	69452160	FGTJFWTVNONNKX-UHFFFAOYSA-N	238.243	1.742	5	40	BDBB	
CN1C=Cc2ccccc2[C@@H]1C[N+](=O)[O-]	31669912	YMIXPQDJQDJFKQ-NSHDSACASA-N	204.229	1.921	5	40	BDBB	
CC(=O)Nc1ccc([N+](=O)[O-])c(NC(C)=O)c1	5197129	BBPXRFUIVJRWKY-UHFFFAOYSA-N	237.215	1.512	5	40	BDBB	
C[N+](C)(C)C[C@H](O)c1cccc([N+](=O)[O-])c1	207086	DWXTUOMQINKDRD-NSHDSACASA-N	225.268	1.334	5	40	BDBB	
C[C@H]1Oc2c(cccc2[N+](=O)[O-])NC1=O	197059331	IPHWEMRMKXSTIN-RXMQYKEDSA-N	208.173	1.314	5	40	BDBB	
Cc1c(F)cc([N+](=O)[O-])cc1[N+](=O)[O-]	66325551	JZFYAALVLGWFKH-UHFFFAOYSA-N	200.125	1.951	5	40	BDBB	
Cc1nccn1C[C@H](O)c1cccc([N+](=O)[O-])c1	95974632	CCQPNYQJVXQWHY-LBPRGKRZSA-N	247.254	1.833	5	40	BDBB	
CN(C)C[C@@]1(c2ccccc2)CC[N+](C)(C)C1	1717939	FXEBVCSNTLJJLO-HNNXBMFYSA-N	233.379	1.966	5	40	BDBB	
COc1ccc(C)cc1C[N+]12CCN(CC1)CC2	24513522	PUNUJKHOPJDZCV-UHFFFAOYSA-N	247.362	1.650	5	40	BDBB	
O=Cc1cccc(OCn2ccc([N+](=O)[O-])n2)c1	2535204	RCBARHPBDZXSAJ-UHFFFAOYSA-N	247.210	1.640	5	40	BDBB	
O=[N+]([O-])c1ccc(Br)c2nonc12	95093371	UEARFJVKDGVSDM-UHFFFAOYSA-N	244.004	1.894	5	40	BDBB	
CCOC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2O1	95836507	WEHXHGQNJKVNOQ-VIFPVBQESA-N	237.211	1.461	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(N2CCCCC2)n1	253407202	VRWWWLOJDIINRL-UHFFFAOYSA-N	224.264	1.802	5	40	BDBB	
Cc1nc(Br)[nH]c1[N+](=O)[O-]	32190362	GOKBPGXXQSCLLS-UHFFFAOYSA-N	205.999	1.389	5	40	BDBB	
CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1	804813	HFZFMNAIEKSISH-UHFFFAOYSA-N	239.231	1.032	5	40	BDBB	
O=C(NC1CC1)c1ccc([N+](=O)[O-])s1	15586995	VHTMZSKNDOSLRE-UHFFFAOYSA-N	212.230	1.549	5	40	BDBB	
C[C@@]1([N+](=O)[O-])C[Si](C)(C)C[C@@]1(C)[N+](=O)[O-]	195812054	DSWIDAWDEVKGAV-HTQZYQBOSA-N	232.312	1.779	5	40	BDBB	
C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](N)C(=O)O	5675186	UGAGINQCEMIKQG-HZGVNTEJSA-N	224.216	1.110	5	40	BDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccno1	8804155	AYFUTWYCRGNLCU-UHFFFAOYSA-N	233.183	1.835	5	40	BDBB	
CSc1nc(NN)c([N+](=O)[O-])c(SC)n1	16943377	SHNUMXOGDJPOSE-UHFFFAOYSA-N	247.305	1.114	5	40	BDBB	
O=[N+]([O-])c1ccc(O[C@H]2CCNC2)c(F)c1	51783886	VSLCDTGYHMKNQH-QMMMGPOBSA-N	226.207	1.475	5	40	BDBB	
CC1(C)ON=C(c2ccccc2)[C@@H]1[N+](=O)[O-]	4753590	QFENGDMXCZZCNK-JTQLQIEISA-N	220.228	1.845	5	40	BDBB	
O=C1NCCn2c1cc1cc([N+](=O)[O-])ccc12	6659454	RMQFDJUEJDOHIU-UHFFFAOYSA-N	231.211	1.293	5	40	BDBB	
CCOC(=O)c1nn(C(C)C)cc1[N+](=O)[O-]	72339697	ZNEZIIUJPOSRLH-UHFFFAOYSA-N	227.220	1.549	5	40	BDBB	
O=[N+]([O-])C(Cl)(Cl)Br	77284867	JMZWGJLCNQYBHT-UHFFFAOYSA-N	208.826	1.747	5	40	BDBB	in-vitro
O=C(O)c1ccc2c([N+](=O)[O-])ccc(F)c2n1	85399887	HEPLMLHBKSVMCS-UHFFFAOYSA-N	236.158	1.980	5	40	BDBB	
CN(C)C(=O)c1cccc([N+](=O)[O-])c1O	95080197	RVYOMZYDBIGQJO-UHFFFAOYSA-N	210.189	1.002	5	40	BDBB	
Cc1nnc2ccc([N+](=O)[O-])cc2c1O	5086243	IEGBXCXCRIFVBG-UHFFFAOYSA-N	205.173	1.552	5	40	BDBB	
CCCN(CCC)c1nc(N)ncc1[N+](=O)[O-]	5445655	SJZPSFQVSYQNAE-UHFFFAOYSA-N	239.279	1.593	5	40	BDBB	
O=C1NCC/C1=C\c1cccc([N+](=O)[O-])c1	1653822	IEABNLILOQKYOC-RMKNXTFCSA-N	218.212	1.498	5	40	BDBB	
C[n+]1ccccc1Nc1cc([N+](=O)[O-])ccc1N	4100941	GMMPSSFBTFPSET-UHFFFAOYSA-O	245.262	1.745	5	40	BDBB	
CC[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCOCC1	5105709	RCYBRYYJLMVFBK-XJFOESAGSA-N	240.367	1.403	5	40	BDBB	
CON(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1	69536415	PUFDUWWLQIOLPN-UHFFFAOYSA-N	224.216	1.537	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])cnn1C1CCCC1	408716574	OKFGHEXELSTKGJ-UHFFFAOYSA-N	225.204	1.605	5	40	BDBB	
O=[N+]([O-])c1ccccc1O[C@@H]1CCCNC1	42782900	VZOUXOOGUDTNEJ-SECBINFHSA-N	222.244	1.726	5	40	BDBB	
CN(C)C(=S)Oc1ccccc1[N+](=O)[O-]	5064817	QOCIFGBOWJADLR-UHFFFAOYSA-N	226.257	1.820	5	40	BDBB	
CCOC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1	22124330	JBHSGKIODKUQDV-UHFFFAOYSA-N	238.243	1.838	5	40	BDBB	
O=C(NC1CCCCC1)c1cc([N+](=O)[O-])n[nH]1	800677	BAYTWIDMJVOLMK-UHFFFAOYSA-N	238.247	1.380	5	40	BDBB	
Cn1cc([N+](=O)[O-])c2ccccc2c1=O	1512636	RYXPUBRGQYMEJB-UHFFFAOYSA-N	204.185	1.447	5	40	BDBB	
O=[N+]([O-])[C@H]1Cc2ccccc2C[C@H]1[N+](=O)[O-]	100717763	NNPGXYAKOPSUAI-AOOOYVTPSA-N	222.200	1.076	5	40	BDBB	
O=C(O)c1c([N+](=O)[O-])ccc2c1OCCO2	39233555	SXCQEJNBRGOPDI-UHFFFAOYSA-N	225.156	1.064	5	40	BDBB	
Cc1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)O	39320351	WAQHWYDNCUPACU-UHFFFAOYSA-N	247.210	1.992	5	40	BDBB	
O=C1CCc2cc(F)c([N+](=O)[O-])cc2N1	20283194	ZPGNKJBCUGOHJR-UHFFFAOYSA-N	210.164	1.619	5	40	BDBB	in-vitro
CCn1ncc([N+](=O)[O-])c1C(=O)N1CCCC1	355936	NQMKUVIACIXSAG-UHFFFAOYSA-N	238.247	1.047	5	40	BDBB	
C[C@H](CO)Sc1ncccc1[N+](=O)[O-]	78676288	POBCFQQZPFNOCM-ZCFIWIBFSA-N	214.246	1.463	5	40	BDBB	
N=C(N)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	34279252	KIBCKGRRIAGVRZ-UHFFFAOYSA-N	233.149	1.898	5	40	BDBB	
CO/C=C(\F)C(=O)Nc1cccc([N+](=O)[O-])c1	98175028	BWMBUXJULGJUKO-TWGQIWQCSA-N	240.190	1.991	5	40	BDBB	
O=c1c2ccccc2n2nnc3cccc1c32	4984606	FMCYQYPHLJBLFT-UHFFFAOYSA-N	221.219	1.834	5	40	BDBB	
Nc1ccc(C(=O)NCC2CC2)cc1[N+](=O)[O-]	12736121	UKVGVDUPTMFWMO-UHFFFAOYSA-N	235.243	1.317	5	40	BDBB	
CC(C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C	9218454	SNLVNVKYRDGJBU-QMMMGPOBSA-N	239.275	1.708	5	40	BDBB	
NCc1ccc(OCC2CC2)c([N+](=O)[O-])c1	36765170	SDGHGBHAYNZPQS-UHFFFAOYSA-N	222.244	1.842	5	40	BDBB	
CCOC(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	44200563	YAHSCVKMQNZMGB-UHFFFAOYSA-N	240.171	1.680	5	40	BDBB	
CCCN(c1ncc([N+](=O)[O-])cn1)C1CC1	167452783	WZSZDHNUJWPTHU-UHFFFAOYSA-N	222.248	1.764	5	40	BDBB	
COc1cc([N+](=O)[O-])c2nc(C(=O)O)ccc2c1	1680093	XBUHDHCGJAIOCG-UHFFFAOYSA-N	248.194	1.850	5	40	BDBB	
COC(=O)CCSc1ccncc1[N+](=O)[O-]	66796361	QDRGWOOOWDGFDJ-UHFFFAOYSA-N	242.256	1.645	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(Oc2cccc(C=O)c2)n1	95098563	BSAFDYWZPIPSPD-UHFFFAOYSA-N	247.210	1.933	5	40	BDBB	
O=[N+]([O-])C1COC2(CCCCC2)OC1	38235321	CMWZTDZBIWIWDH-UHFFFAOYSA-N	201.222	1.339	5	40	BDBB	
Cc1cc(C(=O)n2cccn2)ccc1[N+](=O)[O-]	13952436	VMPGRTDXOYOLJV-UHFFFAOYSA-N	231.211	1.788	5	40	BDBB	
CC[C@H](CO)Nc1ccc([N+](=O)[O-])cn1	20324398	KBEKTNLLGLGMJM-SSDOTTSWSA-N	211.221	1.173	5	40	BDBB	
O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](O)C1	40452488	GINGDZDYVCBOHR-QMMMGPOBSA-N	240.234	1.695	5	40	BDBB	
COC(=O)c1nn(C2CCCC2)cc1[N+](=O)[O-]	143740294	XNYSEHQJFUNRTN-UHFFFAOYSA-N	239.231	1.693	5	40	BDBB	
O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2C1=O	84250314	HKYMIAGUHQPJDN-UHFFFAOYSA-N	226.575	1.383	5	40	BDBB	
Cc1cc(-c2nnco2)ccc1[N+](=O)[O-]	32627016	OAPXUWIOORWKCM-UHFFFAOYSA-N	205.173	1.953	5	40	BDBB	in-vitro
NC(=O)c1sc([N+](=O)[O-])cc1Cl	2566988	XJHPBKHQFXNRAU-UHFFFAOYSA-N	206.610	1.409	5	40	BDBB	
OCC1=CC[N@+]2(Cc3ccccc3)CC[C@H](O)[C@H]12	245377571	MPDVSGSUYGUBLA-HRCADAONSA-N	246.330	1.069	5	40	BDBB	biogenic
Cc1ccc(NC(=O)CN(C)C)cc1[N+](=O)[O-]	118288862	BBUVLWHGYCFHSW-UHFFFAOYSA-N	237.259	1.403	5	40	BDBB	
CC(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21	73642288	UGIKXALPZGWZSI-UHFFFAOYSA-N	233.227	1.380	5	40	BDBB	
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N+](=O)[O-]	95696894	DGSCKRLVSINLST-UHFFFAOYSA-N	227.132	1.720	5	40	BDBB	
O=N[C@H]1Nc2ccc([N+](=O)[O-])cc2C1=O	100564218	CKSPOQVZODLABN-MRVPVSSYSA-N	207.145	1.296	5	40	BDBB	
COc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	4352929	GZZJZWYIOOPHOV-UHFFFAOYSA-N	213.149	1.094	5	40	BDBB	
NC(=O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	8053545	DVRHRWKWAWAVOL-SECBINFHSA-N	249.270	1.297	5	40	BDBB	
CN1CCCN[C@@H]1c1ccc([N+](=O)[O-])cc1	19323791	TUWKNGQRPDOYLG-NSHDSACASA-N	221.260	1.519	5	40	BDBB	
Cc1cnc(Oc2cnn(C)c2)c([N+](=O)[O-])c1	225712762	CHMKEWLMLFILDD-UHFFFAOYSA-N	234.215	1.824	5	40	BDBB	
CCOc1cc([N+](=O)[O-])cc(CO)c1O	19797530	WAHWVHBVJAUSQF-UHFFFAOYSA-N	213.189	1.191	5	40	BDBB	
CC(C)(Nc1ccc([N+](=O)[O-])cc1)C(=O)O	40354886	OLVSJCXKKXRGLO-UHFFFAOYSA-N	224.216	1.870	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc2c1OCC2	34382321	HGZXANUIYKGGSW-UHFFFAOYSA-N	209.157	1.228	5	40	BDBB	
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1CCCO1	1684490	KEESNWGHTQPUTB-SECBINFHSA-N	248.310	1.332	5	40	BDBB	
CCc1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	62719659	XLBHMDMIWNJGTR-UHFFFAOYSA-N	248.242	1.854	5	40	BDBB	
CCOc1cc(CO)c(O)c([N+](=O)[O-])c1	226233331	DYGIVJLUWFZXCC-UHFFFAOYSA-N	213.189	1.191	5	40	BDBB	
CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])nc1	96453841	WRORBHFBXTXSAD-VIFPVBQESA-N	237.259	1.463	5	40	BDBB	
O=C(O)c1ccc(OC2CC2)c([N+](=O)[O-])c1	95735497	ZPHQCOIYOZSLKA-UHFFFAOYSA-N	223.184	1.834	5	40	BDBB	
O=C1CC[C@H]([N+](=O)[O-])[C@@H](C2CCCCC2)N1	100965	FZTTVMXAWJJCSB-GXSJLCMTSA-N	226.276	1.491	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(C)c(C(=O)O)c1O	57339492	GEAQSVQTBHFWFI-UHFFFAOYSA-N	211.173	1.615	5	40	BDBB	
O=[N+]([O-])c1ccc(CNC[C@@H]2CCCO2)cc1	54978538	JTIVCHBKMBKRNX-LBPRGKRZSA-N	236.271	1.863	5	40	BDBB	
CCC1=NN(c2ccc([N+](=O)[O-])cn2)C(=O)C1	521399796	SCKXDWTUNLJGQJ-UHFFFAOYSA-N	234.215	1.493	5	40	BDBB	
Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1	95951676	ODWBWZQAMSSOHH-UHFFFAOYSA-N	204.189	1.390	5	40	BDBB	
C[C@@H](N)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5336167	LLPAIWNAHYVSMS-ZCFIWIBFSA-N	240.219	1.262	5	40	BDBB	
O=C(O)c1onc2cc([N+](=O)[O-])ccc12	1654216	LIZZRGKWWBTAKX-UHFFFAOYSA-N	208.129	1.434	5	40	BDBB	
Nc1nc2c(cnc3c(F)cccc32)c(=O)[nH]1	26507499	XKLXPCPGWRIFAT-UHFFFAOYSA-N	230.202	1.193	5	40	BDBB	
O=C(O)/C=C/Nc1cccc([N+](=O)[O-])c1	100937250	ZBERMOYIQPRSNM-SNAWJCMRSA-N	208.173	1.605	5	40	BDBB	
O=C(O)[C@@H]1N=Nc2c1cccc2[N+](=O)[O-]	199806963	UIWJMHVXWMOUKA-SSDOTTSWSA-N	207.145	1.818	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])cc2c1OCCO2	36878488	AVKRNLXCZBBZMD-UHFFFAOYSA-N	225.156	1.064	5	40	BDBB	in-vitro
CC(=O)O[C@@H]1C[C@H]2CCCC[C@@H]2[N+](C)(C)C1	5395488	HIOCBGYLJFSZOO-UPJWGTAASA-N	226.340	1.957	5	40	BDBB	
CCc1nn(CC)c(C(=O)O)c1[N+](=O)[O-]	14985152	CYRXJCKKLRXCIT-UHFFFAOYSA-N	213.193	1.072	5	40	BDBB	
O=C(O)Cc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1	32616692	LFOYGSMUYMPANW-UHFFFAOYSA-N	248.198	1.007	5	40	BDBB	
Cc1cc(Cc2ccccc2[N+](=O)[O-])c(=O)[nH]n1	199803699	ZSJGFBNLSSNOPX-UHFFFAOYSA-N	245.238	1.577	5	40	BDBB	
COC(=O)c1cc(Br)c([N+](=O)[O-])[nH]1	98091131	CVNIZVUFUCODCK-UHFFFAOYSA-N	249.020	1.472	5	40	BDBB	
Cc1nccn1-c1ccc([N+](=O)[O-])cn1	12399123	VUUFYIGIGCYRHN-UHFFFAOYSA-N	204.189	1.484	5	40	BDBB	
Cc1cc(N2CCOCC2)ncc1[N+](=O)[O-]	19815732	FZTHRNFPVUIJJD-UHFFFAOYSA-N	223.232	1.135	5	40	BDBB	
COC(=O)c1ccc([C@@H](C)[N+](C)(C)C)o1	506665	IOKDMKGPWZXEHN-MRVPVSSYSA-N	212.269	1.833	5	40	BDBB	
CC(=O)Nc1cc2cc([N+](=O)[O-])ccc2oc1=O	150875	XFJUNGZIABENHT-UHFFFAOYSA-N	248.194	1.660	5	40	BDBB	
CCOC(=O)[C@H](N)Cc1ccc([N+](=O)[O-])cc1	69553691	BNIKYBDDYIQCEB-SNVBAGLBSA-N	238.243	1.028	5	40	BDBB	
C[C@@H](N)c1ccc(C(=O)O)cc1[N+](=O)[O-]	39084061	KSBVDNILPMPKSN-RXMQYKEDSA-N	210.189	1.313	5	40	BDBB	
CS(C)(=O)=Nc1cccc([N+](=O)[O-])c1	220420419	HPFULSZXGOMERV-UHFFFAOYSA-N	214.246	1.954	5	40	BDBB	
C[C@H](Sc1ncccc1[N+](=O)[O-])[C@@H](C)O	78582372	WNZURCNLMNEWTC-RQJHMYQMSA-N	228.273	1.851	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1Nc1ccc(O)cc1	4035888	MTKYJDFQIRZBSQ-UHFFFAOYSA-N	234.215	1.778	5	40	BDBB	
CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc2c1=O	225816051	CNMDPNFJVZKNPM-UHFFFAOYSA-N	232.195	1.639	5	40	BDBB	
O=[N+]([O-])c1ccc2ncnc(NCCCO)c2c1	81589088	FHIJNCWVBUYRJP-UHFFFAOYSA-N	248.242	1.332	5	40	BDBB	
O=[N+]([O-])c1cccnc1-c1ncccc1[N+](=O)[O-]	16125232	PQSBMZFINXSHDM-UHFFFAOYSA-N	246.182	1.960	5	40	BDBB	
COc1ccc(CCn2cnc([N+](=O)[O-])n2)cc1	48374113	BSDSEMWXZJBMER-UHFFFAOYSA-N	248.242	1.438	5	40	BDBB	
O=C(NCC(F)(F)F)c1ccccc1[N+](=O)[O-]	7986375	RUDPAFRQWGPSOC-UHFFFAOYSA-N	248.160	1.887	5	40	BDBB	
O=[N+]([O-])c1cc([SH](=O)=O)ccc1Cl	12504599	IFFFWOMOMJYWIX-UHFFFAOYSA-N	221.621	1.219	5	40	BDBB	
CNc1cc([N+](=O)[O-])cc2nc(C)n(C)c(=O)c12	6659195	KJIYNEBAGAHVRA-UHFFFAOYSA-N	248.242	1.192	5	40	BDBB	
Cc1ccc(N2CCNC[C@@H]2C)c([N+](=O)[O-])c1	54375160	UKBPQRZRINYHSB-JTQLQIEISA-N	235.287	1.701	5	40	BDBB	
N=C(N)c1ccc(Br)c([N+](=O)[O-])c1	96346852	AMOXJFMHJTXNGJ-UHFFFAOYSA-N	244.048	1.641	5	40	BDBB	
Cc1cc(CNc2ccc([N+](=O)[O-])cn2)no1	44416245	KYXPKDLRAJQGSW-UHFFFAOYSA-N	234.215	1.898	5	40	BDBB	
COC(=O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-]	1577803	YZRFTJSIVVNRMI-UHFFFAOYSA-N	226.144	1.290	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])cc(OC)c1OC	57339916	GUFJBUIGMPTTOP-UHFFFAOYSA-N	241.199	1.399	5	40	BDBB	
CC(C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C	9218453	SNLVNVKYRDGJBU-MRVPVSSYSA-N	239.275	1.708	5	40	BDBB	
CNc1nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2o1	4828731	YRBQDULVDYBVJF-UHFFFAOYSA-N	238.159	1.686	5	40	BDBB	
O=[N+]([O-])c1ccn(CCC(F)(F)F)n1	71791959	LHALOUYQHPMHKR-UHFFFAOYSA-N	209.127	1.744	5	40	BDBB	
CN(C)[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)O	57529234	APQUWXJNNIESDA-SNVBAGLBSA-N	238.243	1.152	5	40	BDBB	
Cc1ccc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1	99335	DLQZVKNZVDCCIV-CMPLNLGQSA-N	234.255	1.591	5	40	BDBB	
O=[N+]([O-])c1ccc2nc(NCCO)sc2c1	58548450	VDOWYVHDYDSPSX-UHFFFAOYSA-N	239.256	1.609	5	40	BDBB	
Nc1cc(-c2ccccc2[N+](=O)[O-])[nH]n1	19481550	DZZXBSQJIXINKK-UHFFFAOYSA-N	204.189	1.567	5	40	BDBB	
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1	25311724	OVJCCFFOOBGRKL-UHFFFAOYSA-N	236.187	1.174	5	40	BDBB	
Cn1ncc([N+](=O)[O-])c1C(=O)c1ccccc1	1314656	PNBIMJILRTULFZ-UHFFFAOYSA-N	231.211	1.559	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCOCC2)cc1O	35127973	XXIIDARBNMZFEH-UHFFFAOYSA-N	224.216	1.137	5	40	BDBB	
COC(=O)c1ccc2cnccc2c1[N+](=O)[O-]	85398948	ZDSXTWDCTJWAQS-UHFFFAOYSA-N	232.195	1.930	5	40	BDBB	
CCNC(=O)COc1ccccc1[N+](=O)[O-]	3382131	IFONFRSGSVYKPQ-UHFFFAOYSA-N	224.216	1.110	5	40	BDBB	
Cc1nc2cc3c(=O)oc(C)nc3cc2c(=O)o1	375180	MNHSAWSMVMHWPN-UHFFFAOYSA-N	244.206	1.306	5	40	BDBB	biogenic
O=[N+]([O-])c1c(N2CCCC2)nc2sccn12	4024481	KIKIZWJKWOCICP-UHFFFAOYSA-N	238.272	1.904	5	40	BDBB	
COC(=O)c1cc(Cl)ncc1[N+](=O)[O-]	82369440	SBGNWCJYDUUYTN-UHFFFAOYSA-N	216.580	1.430	5	40	BDBB	
O=[N+]([O-])c1ccc(-c2nnc3n2NCS3)cc1	3843227	OZSXZFWDSHDEET-UHFFFAOYSA-N	249.255	1.460	5	40	BDBB	biogenic
O=[N+]([O-])c1cnc(N2CCNCC2)c(Cl)c1	82550621	HPFXUNSJCYQVBD-UHFFFAOYSA-N	242.666	1.053	5	40	BDBB	
CS(=O)(=O)[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	96510121	PLZYWCRLGTYBFP-UWVGGRQHSA-N	241.268	1.495	5	40	BDBB	
C[N+]1(C[C@@H]2CCCCC2=O)CCOCC1	544790	JTNNLTBPOWHFHZ-NSHDSACASA-N	212.313	1.223	5	40	BDBB	
O=C(O)[C@H]1COc2ccc([N+](=O)[O-])cc21	69910407	SSOXGAJFKZQCAD-ZETCQYMHSA-N	209.157	1.155	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccn(-c2ncccc2[N+](=O)[O-])n1	39315314	ZKKHGMRFTGYEBB-UHFFFAOYSA-N	235.159	1.084	5	40	BDBB	
CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	5456467	UXBYXADXVPGIPA-UHFFFAOYSA-N	228.635	1.998	5	40	BDBB	
Cc1c(CO)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	7989021	SJNNZMBYMXBMSS-UHFFFAOYSA-N	246.606	1.957	5	40	BDBB	
c1csc(N2CC[N+]3(CCCC3)CC2)n1	405551	WVDDUKVXSPAAHF-UHFFFAOYSA-N	224.353	1.574	5	40	BDBB	
Cc1cc([N+](=O)[O-])c(O)c(N)c1[N+](=O)[O-]	85343019	UCAWFSTVJPYKHE-UHFFFAOYSA-N	213.149	1.099	5	40	BDBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCO1	22195785	ZSGFGNKYMISDCM-MRVPVSSYSA-N	223.232	1.215	5	40	BDBB	
CC[N+](C)(C)CCOCC[N+](C)(C)CC	1998181	MRYOWBPTJWDLQT-UHFFFAOYSA-N	218.385	1.196	5	40	BDBB	
CCOc1cc(C(=O)O)ccc1[N+](=O)[O-]	36225933	ZWPRGHWABASJLH-UHFFFAOYSA-N	211.173	1.692	5	40	BDBB	in-vitro
Cc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]	5547383	HIWIUNGMXSNCHC-UHFFFAOYSA-N	208.217	1.605	5	40	BDBB	
O=[N+]([O-])c1ccc(N2CCC(CO)CC2)nc1	40444389	LJSPBMQDDUPONQ-UHFFFAOYSA-N	237.259	1.199	5	40	BDBB	in-vitro
COc1cc(C)c([N+](=O)[O-])cc1[N+](=O)[O-]	1596131	XLPFUGPSJUAQSY-UHFFFAOYSA-N	212.161	1.820	5	40	BDBB	
CCCN1C(=O)COc2ccc([N+](=O)[O-])cc21	11691860	BZGZBKLLVHIAAJ-UHFFFAOYSA-N	236.227	1.730	5	40	BDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)c1ccccc1	54927	LCSLHGBTVJMUCW-UHFFFAOYSA-N	231.211	1.674	5	40	BDBB	
Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1	16973155	LGTSGLNWLJRGPQ-UHFFFAOYSA-N	246.226	1.879	5	40	BDBB	
COc1cc(F)c([N+](=O)[O-])c(N[C@@H](C)CO)c1	91485277	GYEPZRLPDMJZBY-LURJTMIESA-N	244.222	1.535	5	40	BDBB	
CCC1(O)CN(c2cc(C)ccc2[N+](=O)[O-])C1	94663489	JFUOPAVIOWXHII-UHFFFAOYSA-N	236.271	1.864	5	40	BDBB	
CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@@H]1CO1	36373651	IWRGQRMIHJWMIH-VIFPVBQESA-N	237.211	1.575	5	40	BDBB	in-vitro
Cc1cc(Cc2cccc([N+](=O)[O-])c2)c(=O)[nH]n1	199803833	QLRHCOJKKKQVRQ-UHFFFAOYSA-N	245.238	1.577	5	40	BDBB	
O=c1[nH]nc(O)c2cc3ccccc3cc12	17023010	VQOMAVHJHNAOFI-UHFFFAOYSA-N	212.208	1.782	5	40	BDBB	
O=[N+]([O-])c1cccn2c(C(F)(F)F)nnc12	2547875	GGSVEPAFUXOWJW-UHFFFAOYSA-N	232.121	1.656	5	40	BDBB	
O=C(NCCCF)c1ccc([N+](=O)[O-])cc1O	97163941	RBNAHUABTUVSDM-UHFFFAOYSA-N	242.206	1.390	5	40	BDBB	
C[C@H](N)c1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1	82751643	RSKKLOVGEVEZNZ-ZETCQYMHSA-N	247.258	1.323	5	40	BDBB	
Cc1cc(Cn2cc([N+](=O)[O-])ccc2=O)no1	16280522	XJGYSWBIWWOWPZ-UHFFFAOYSA-N	235.199	1.101	5	40	BDBB	
Cc1cccc([N+](=O)[O-])c1C(=O)n1ccnc1	47843938	FPNIIKJMFQHXIA-UHFFFAOYSA-N	231.211	1.788	5	40	BDBB	in-vitro
O=[N+]([O-])c1cnn(-c2nc3ccccc3o2)c1	78990230	CGCZICODDAGVEZ-UHFFFAOYSA-N	230.183	1.922	5	40	BDBB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)C=CC1=O	3885881	FNPMAUNQISKLRJ-UHFFFAOYSA-N	248.194	1.033	5	40	BDBB	
O=C(O)c1cnc2cc([N+](=O)[O-])ccc2n1	66346747	RYYYGQBDEGUYLX-UHFFFAOYSA-N	219.156	1.236	5	40	BDBB	
O=[N+]([O-])c1cccc(OC[C@@H]2CCNC2)c1	38580800	JHGXVKJNSRVGHX-SECBINFHSA-N	222.244	1.583	5	40	BDBB	
O=[N+]([O-])[C@H]1C[C@H]1c1nc(-c2ccccn2)no1	78773845	KXLAALQGXPRWOC-SVRRBLITSA-N	232.199	1.264	5	40	BDBB	
Nc1ccc(OCC(F)F)cc1[N+](=O)[O-]	169800715	WPOWVVIZLPWINE-UHFFFAOYSA-N	218.159	1.821	5	40	BDBB	
CNCCCNCc1ccc([N+](=O)[O-])cc1	8377116	JRQRKCGGJSYNCG-UHFFFAOYSA-N	223.276	1.294	5	40	BDBB	
CCCc1nccn1CCn1ccc([N+](=O)[O-])n1	95975449	QGVIMSUYEVHDBE-UHFFFAOYSA-N	249.274	1.641	5	40	BDBB	
COc1cc(C(=O)O)c([N+](=O)[O-])cc1Cl	5879685	IEFZDLCDDSHPJS-UHFFFAOYSA-N	231.591	1.955	5	40	BDBB	
COc1cc(N)c([N+](=O)[O-])c(Cl)c1	163644779	IJTQDNPAUJXOJJ-UHFFFAOYSA-N	202.597	1.839	5	40	BDBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCSC1	2696758	JKEFHTUNNALUDO-UHFFFAOYSA-N	238.268	1.741	5	40	BDBB	
O=Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	21304407	XULAFIJIWWVMCT-UHFFFAOYSA-N	230.563	1.969	5	40	BDBB	
COC(=O)c1cc([N+](=O)[O-])c2cc[nH]c2c1	42689420	IFOFOPSZBXKRAG-UHFFFAOYSA-N	220.184	1.863	5	40	BDBB	in-vitro
Cc1cc(N2CCC[C@@H]2CO)ccc1[N+](=O)[O-]	42434586	SHTIEBVXOHBMFM-LLVKDONJSA-N	236.271	1.864	5	40	BDBB	
CC[N+]1([C@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCOCC1	5105710	RCYBRYYJLMVFBK-ZOBORPQBSA-N	240.367	1.403	5	40	BDBB	
CCONC(=O)c1ccc([N+](=O)[O-])c(C)c1	9724894	CNVSVHHBDGPIPK-UHFFFAOYSA-N	224.216	1.585	5	40	BDBB	
C[N@+]12CCC[C@@H]1[C@H]1C[C@H](C2)c2cccc(=O)n2C1	263586039	PDBKVEXJATVUPI-HSTIPLNKSA-N	245.346	1.574	5	40	BDBB	biogenic
O=c1ccc([N+](=O)[O-])cn1CC(F)F	78535646	ODXLFRJIYRLJIM-UHFFFAOYSA-N	204.132	1.022	5	40	BDBB	
O=[N+]([O-])c1ccc(Cc2nnc(S)o2)cc1	4993932	NCMYOQVGOXMJCS-UHFFFAOYSA-N	237.240	1.857	5	40	BDBB	
N=C1NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)S1	5344544	HFOPNBSWGQRWBY-HWKANZROSA-N	239.212	1.326	5	40	BDBB	
Cc1ccccc1NC(=O)c1nc[nH]c1[N+](=O)[O-]	5885765	BZTMDIMYULHHDA-UHFFFAOYSA-N	246.226	1.879	5	40	BDBB	
Nc1cc(N2CCC(O)CC2)ccc1[N+](=O)[O-]	34050263	TXDXYKJCLFBDQV-UHFFFAOYSA-N	237.259	1.138	5	40	BDBB	
Nc1c(C(=O)O)cc(F)cc1[N+](=O)[O-]	26516838	PJWWMVQRAZJKGT-UHFFFAOYSA-N	200.125	1.014	5	40	BDBB	in-vitro
Cc1nc([N+](=O)[O-])cn1-c1ccc(O)cc1	988748	OSELFOVYOQGWIT-UHFFFAOYSA-N	219.200	1.795	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1N1CCNC1=O	1673786	ZRDCDFSAVZDHQQ-UHFFFAOYSA-N	221.216	1.433	5	40	BDBB	
COc1nc(Cl)nc(C)c1[N+](=O)[O-]	39390779	PNVXPMQAFHWYMN-UHFFFAOYSA-N	203.585	1.355	5	40	BDBB	
CCCCNc1nc(N)ncc1[N+](=O)[O-]	4900076	YRNGDEBFPHZCGJ-UHFFFAOYSA-N	211.225	1.179	5	40	BDBB	
CC(C)(C(=O)O)c1cccc([N+](=O)[O-])c1	59672854	NICZEYWEIXUUKS-UHFFFAOYSA-N	209.201	1.957	5	40	BDBB	
O=C(O)c1cccc(-n2cc([N+](=O)[O-])cn2)c1	21953497	OSXUQMULUQYNRL-UHFFFAOYSA-N	233.183	1.479	5	40	BDBB	
Nc1cnccc1C(=O)c1ccc([N+](=O)[O-])o1	199712502	UTCAKFYXEOUVIF-UHFFFAOYSA-N	233.183	1.396	5	40	BDBB	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1[N+](=O)[O-]	17043964	CNAPXVBHVOZFDE-UHFFFAOYSA-N	249.182	1.653	5	40	BDBB	
O=[N+]([O-])c1ccc([C@H]2OC[C@@H](CO)O2)cc1	3074152	IMPGLXDVAYTZLH-ZJUUUORDSA-N	225.200	1.001	5	40	BDBB	
Nc1ccc(CCC(=O)O)cc1[N+](=O)[O-]	22013303	SJVISUXJSCQKSC-UHFFFAOYSA-N	210.189	1.194	5	40	BDBB	
Cn1cc(C(=O)O)c(-c2ccc([N+](=O)[O-])cc2)n1	37311580	PYFSARQBYCNVFX-UHFFFAOYSA-N	247.210	1.694	5	40	BDBB	in-vitro
C[C@]1([N+](=O)[O-])C[Si](C)(C)C[C@@H]1[N+](=O)[O-]	195778912	BAGSVCQDRYIULM-BQBZGAKWSA-N	218.285	1.389	5	40	BDBB	
COc1cccc2c1C(=O)O[C@@H]2C[N+](=O)[O-]	384416	UIRLSHLUXAPCRI-MRVPVSSYSA-N	223.184	1.183	5	40	BDBB	
Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1	52708770	FOFQABCKMXDLGR-UHFFFAOYSA-N	206.161	1.227	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccnc1N[C@@H]1CCN(C2CC2)C1	44411815	FIVDEDNJPBXRPN-SECBINFHSA-N	248.286	1.638	5	40	BDBB	
C[C@H]1CNCCN1Cc1ccccc1[N+](=O)[O-]	54373133	UTSKPKRQUTWCES-JTQLQIEISA-N	235.287	1.389	5	40	BDBB	
Cc1[nH]nc(Br)c1[N+](=O)[O-]	39369297	PWMWVJWLWKBKOV-UHFFFAOYSA-N	205.999	1.389	5	40	BDBB	
Cc1cnc(N(C)C[C@@H](C)O)c([N+](=O)[O-])c1	85427047	ZOVLPNLRNDJUAL-MRVPVSSYSA-N	225.248	1.115	5	40	BDBB	
Cc1ccc(N(C)C(N)=O)c([N+](=O)[O-])c1	57476950	VRGXFGDSQRRCIZ-UHFFFAOYSA-N	209.205	1.418	5	40	BDBB	
C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)O	1680141	BPDRKPHFYJXKTB-YFKPBYRVSA-N	228.229	1.555	5	40	BDBB	
C[C@@H]1C[C@@H](C[N+](=O)[O-])CC2(C1)OCCO2	5809807	LWQRTEGTTCEEFE-RKDXNWHRSA-N	215.249	1.442	5	40	BDBB	
COc1cc(C(C)=O)cc([N+](=O)[O-])c1O	1635818	PGKVPHVPNDBJTO-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	in-vitro
O=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1	37380824	BIHOAKPNPOGWEV-DTWKUNHWSA-N	207.185	1.783	5	40	BDBB	in-vitro
O=C1CC[C@H]([N+](=O)[O-])[C@H]([C@@H]2CC=CCC2)N1	169355939	CGLPKGVDOFMFCQ-YWVKMMECSA-N	224.260	1.267	5	40	BDBB	
O=[N+]([O-])c1ccc2c(c1)ncc1c(O)n[nH]c12	53994961	LGBWSLJGFFYUCK-UHFFFAOYSA-N	230.183	1.725	5	40	BDBB	
O=C(O)c1c[nH]c2c(ccc3cccnc32)c1=O	5286251	XZZHOJONZJQARN-UHFFFAOYSA-N	240.218	1.775	5	40	BDBB	in-vitro
O=[N+]([O-])c1cccc(OCCn2ccnn2)c1	128054703	VQGICNKQORNQTB-UHFFFAOYSA-N	234.215	1.265	5	40	BDBB	
CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3861396	YYOUTZBUOQBAAE-UHFFFAOYSA-N	211.177	1.935	5	40	BDBB	in-vitro
Cc1c(Cl)cc(C(N)=O)cc1[N+](=O)[O-]	26508327	KURFLGIYRKBQHJ-UHFFFAOYSA-N	214.608	1.656	5	40	BDBB	
CCCCC[N+](C)(C)CCOC(C)=O	148703401	QGCRLJFQIDNSQY-UHFFFAOYSA-N	202.318	1.816	5	40	BDBB	
Nc1ccc(C(=O)N2CCCCC2)cc1[N+](=O)[O-]	12528594	XDSDFKUXSHUGOQ-UHFFFAOYSA-N	249.270	1.803	5	40	BDBB	
COc1c(C(=O)O)cc(C)c(C)c1[N+](=O)[O-]	57340038	OYJXTJPRNXBYFR-UHFFFAOYSA-N	225.200	1.918	5	40	BDBB	
O=N[C@@H]1Nc2ccc([N+](=O)[O-])cc2C1=O	100564216	CKSPOQVZODLABN-QMMMGPOBSA-N	207.145	1.296	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1/C=C/C(=O)O	6018500	PTGPYHUXNRRNOM-GORDUTHDSA-N	223.184	1.701	5	40	BDBB	
O=C(O)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1	6321754	QYALMFITBBBPSM-UHFFFAOYSA-N	245.194	1.750	5	40	BDBB	
CCN1C(=O)C2(CC2)c2cc([N+](=O)[O-])ccc21	85395671	GDTHLMDNMOQANU-UHFFFAOYSA-N	232.239	1.993	5	40	BDBB	
CC1=N/C(=C/c2ccc([N+](=O)[O-])s2)C(=O)O1	1729995	ORBAXRKSMIAQFI-QPJJXVBHSA-N	238.224	1.972	5	40	BDBB	
O=C1C[C@H]2c3ccccc3[C@H](C1)C2[N+](=O)[O-]	100644178	LMZWVGBFRUORCV-QWRGUYRKSA-N	217.224	1.876	5	40	BDBB	
C[C@@]1([N+](=O)[O-])C[Si](C)(C)C[C@@H]1[N+](=O)[O-]	195778913	BAGSVCQDRYIULM-NKWVEPMBSA-N	218.285	1.389	5	40	BDBB	
Cc1nc2c(c(N)nn2C)c(C)c1[N+](=O)[O-]	4743186	KYIZYSOAUSPUDI-UHFFFAOYSA-N	221.220	1.076	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1OCCCO	35650268	IAKZNHJZKXNJNU-UHFFFAOYSA-N	227.216	1.365	5	40	BDBB	
O=[N+]([O-])[C@H]1CCC[C@H]2[C@@H]1CCC[C@H]2[N+](=O)[O-]	4533139	QTKVEILORHUNPS-AATLWQCWSA-N	228.248	1.877	5	40	BDBB	
COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(C)C	45886665	JMJJWPIVSNLRHS-UHFFFAOYSA-N	241.203	1.578	5	40	BDBB	
O=C(c1ccccc1)n1ccc([N+](=O)[O-])n1	79624	MIWUBRDWBKJULS-UHFFFAOYSA-N	217.184	1.480	5	40	BDBB	in-vivo
Cc1noc(C)c1Cn1cnc([N+](=O)[O-])c1	12823177	YHPWUIBQPYUCGE-UHFFFAOYSA-N	222.204	1.444	5	40	BDBB	
Cc1c([N+](=O)[O-])sc2nc[nH]c(=O)c12	306701	QKKLPQQKLKIERY-UHFFFAOYSA-N	211.202	1.201	5	40	BDBB	
Cc1cc(COc2cccnc2[N+](=O)[O-])no1	7371775	KRDSCLRZNQMWEY-UHFFFAOYSA-N	235.199	1.865	5	40	BDBB	
O=C(O)Cn1ncc2ccc([N+](=O)[O-])cc21	19397801	PDPCLJQBZJYUNV-UHFFFAOYSA-N	221.172	1.029	5	40	BDBB	in-vitro
O=C(O)c1cn[nH]c1Cc1ccc([N+](=O)[O-])cc1	71980911	MWYZQWKDPDTTIV-UHFFFAOYSA-N	247.210	1.607	5	40	BDBB	
CC[C@@H]([C@H](OC(C)=O)C(C)C)[N+](=O)[O-]	1571185	GNTZENDEEVYVID-DTWKUNHWSA-N	203.238	1.629	5	40	BDBB	
COc1c([N+](=O)[O-])cc2c(c1C)OCOC2	1583288	JQUCEMCSFJTFCR-UHFFFAOYSA-N	225.200	1.778	5	40	BDBB	
Cc1nc(Nc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1	8958826	RLJJFSKNSGADLN-UHFFFAOYSA-N	246.226	1.730	5	40	BDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCO	1697883	ZHYHUNZHKWBFFU-UHFFFAOYSA-N	239.231	1.017	5	40	BDBB	
O=[N+]([O-])C[C@@H](O)c1ccccc1Cl	6095429	NSILZMQANUEUBT-MRVPVSSYSA-N	201.609	1.650	5	40	BDBB	
O=[N+]([O-])c1ccccc1OC[C@H]1CCNC1	42773588	PHHDCMKRUGJWTR-VIFPVBQESA-N	222.244	1.583	5	40	BDBB	
O=[N+]([O-])c1ccccc1SN1CCOCC1	497681	OPGVYCMZBAGJPD-UHFFFAOYSA-N	240.284	1.934	5	40	BDBB	
Nc1ccc2nc3c(=O)[nH]c(=S)[nH]c3nc2c1	9312930	KHHHKNMMGYDLJU-UHFFFAOYSA-N	245.267	1.111	5	40	BDBB	
COC[C@@H](C)OC(=O)c1ccccc1[N+](=O)[O-]	73836388	ZWZWQVPSKYEQDE-MRVPVSSYSA-N	239.227	1.787	5	40	BDBB	
COC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1	38997708	ZJFQGMLHRHGKEV-JTQLQIEISA-N	223.228	1.610	5	40	BDBB	in-vitro
O=[N+]([O-])c1ccc(N2CCC[C@H]2CO)c(F)c1	42434722	UZFWKPIPYMHVHJ-VIFPVBQESA-N	240.234	1.695	5	40	BDBB	
O=C(O)CCOc1ccccc1[N+](=O)[O-]	1671005	AKIYJDFJPJUROC-UHFFFAOYSA-N	211.173	1.448	5	40	BDBB	in-vitro
O=C(O)c1cc([N+](=O)[O-])c2c[nH]nc2c1	14983688	HIXTUKCZSXGARG-UHFFFAOYSA-N	207.145	1.169	5	40	BDBB	in-vitro
Cn1c(=O)c(O)cc2cc([N+](=O)[O-])ccc21	1525646669	VJCMCYSUEGJSKN-UHFFFAOYSA-N	220.184	1.152	5	40	BDBB	
O=[N+]([O-])c1ccc(OCCCn2ccnn2)cc1	128033288	RUUIWSBGSQTVCA-UHFFFAOYSA-N	248.242	1.655	5	40	BDBB	
O=C(O)c1c[nH]c2c([N+](=O)[O-])cccc12	89203994	NNSQOHAERZEHOS-UHFFFAOYSA-N	206.157	1.774	5	40	BDBB	
Cn1cc([N+](=O)[O-])c(Oc2ccc(C=O)cc2)n1	95098564	DTSYNZSPTZAHGY-UHFFFAOYSA-N	247.210	1.933	5	40	BDBB	
O=C(NCc1ccccc1)c1cc([N+](=O)[O-])c[nH]1	23641037	TYCABRYNECXZNI-UHFFFAOYSA-N	245.238	1.853	5	40	BDBB	
C[N+](C)(C)C[C@H]1CCC[C@H]1C[N+](C)(C)C	17004903	NVJZHGPRWSNXHO-BETUJISGSA-N	214.397	1.815	5	40	BDBB	
Cn1nc([N+](=O)[O-])nc1-c1ccccc1	1678427	LEQFSYDAWAXBKI-UHFFFAOYSA-N	204.189	1.390	5	40	BDBB	
Cn1c(C(=O)O)cc2cc([N+](=O)[O-])ccc21	36379639	IRQPCRXWJLFPLG-UHFFFAOYSA-N	220.184	1.785	5	40	BDBB	
CCOC(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1	35333610	OMVURIMGXFKTSJ-UHFFFAOYSA-N	243.190	1.919	5	40	BDBB	
CCn1nc([N+](=O)[O-])cc1Br	953023469	BEMJDLLXUBZVKY-UHFFFAOYSA-N	220.026	1.574	5	40	BDBB	
COc1ccc([N+](=O)[O-])c(O)c1C(C)=O	157810	FIVNXYODPHPCLD-UHFFFAOYSA-N	211.173	1.512	5	40	BDBB	
CCOC(=O)C[C@@H](C[N+](=O)[O-])C(F)(F)F	1700677	ALVDYXPUTPYUQA-YFKPBYRVSA-N	229.154	1.395	5	40	BDBB	
O=C1NC2(CCC2)N[C@@H]1c1cccc([N+](=O)[O-])c1	90661476	JXISYQMKVPPPJF-SNVBAGLBSA-N	247.254	1.236	5	40	BDBB	
O=c1cc[nH]c2c1ccc1[nH]ccc(=O)c12	1870706	GCPKHMZLLDVKBB-UHFFFAOYSA-N	212.208	1.370	5	40	BDBB	
CON(C)C(=O)c1c(F)ccc([N+](=O)[O-])c1F	94190671	JIVVSFYWQDMEHM-UHFFFAOYSA-N	246.169	1.506	5	40	BDBB	
Cn1ccc(NCc2ccc(O)c([N+](=O)[O-])c2)n1	95415562	KFMNUJGYDZUIFD-UHFFFAOYSA-N	248.242	1.646	5	40	BDBB	
O=C(O)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	71163995	CPSKKQLTUXPNGE-UHFFFAOYSA-N	234.167	1.343	5	40	BDBB	
O=Cc1ccc(N2CCSC2)c([N+](=O)[O-])c1	95081238	RGGXJIMLFSQJLH-UHFFFAOYSA-N	238.268	1.918	5	40	BDBB	
CCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	252478726	ATSYYDXQQYRJSR-UHFFFAOYSA-N	239.153	1.752	5	40	BDBB	
O=[N+]([O-])c1cccc(CN2CCCNCC2)c1	19393915	VJYWDSCMVHVXQZ-UHFFFAOYSA-N	235.287	1.390	5	40	BDBB	
O=[N+]([O-])c1scnc1Br	306325527	HOVUSUQMGFTQKB-UHFFFAOYSA-N	209.024	1.814	5	40	BDBB	
Cc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1	58058	WFTRHRRGGQOSLR-UHFFFAOYSA-N	221.168	1.715	5	40	BDBB	biogenic,in-vitro
O=C(O)c1cc(O)n(-c2ccc([N+](=O)[O-])cc2)n1	100121736	OEWIZLSTYUXYCD-UHFFFAOYSA-N	249.182	1.184	5	40	BDBB	
COCCNCc1ccccc1[N+](=O)[O-]	97050803	LECLCXIUNYXPFG-UHFFFAOYSA-N	210.233	1.331	5	40	BDBB	
CCOc1c(C(=O)O)cc(F)cc1[N+](=O)[O-]	225278328	OAKLQODOAOSXQW-UHFFFAOYSA-N	229.163	1.831	5	40	BDBB	
COC(=O)[C@@H]1CC(=O)c2cc([N+](=O)[O-])ccc21	196482120	CGNIUSOFHAVXFC-SECBINFHSA-N	235.195	1.438	5	40	BDBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)O	3888808	DNPQOPWOYVMQNL-UHFFFAOYSA-N	240.215	1.351	5	40	BDBB	
CCOc1ccc(C(N)=O)cc1[N+](=O)[O-]	20136288	NALXYPQJOSZBRA-UHFFFAOYSA-N	210.189	1.092	5	40	BDBB	
Cn1cnc([N+](=O)[O-])c1NCc1ccccc1	4730316	VKWNWCCWGABWCT-UHFFFAOYSA-N	232.243	1.940	5	40	BDBB	
CCCN(CC(=O)O)c1cccc([N+](=O)[O-])c1	38021182	GYJIFIAJWXYBJO-UHFFFAOYSA-N	238.243	1.896	5	40	BDBB	
CN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1	48567854	FAUACWKLZAFYTG-UHFFFAOYSA-N	239.250	1.486	5	40	BDBB	
O=C(O)c1cc([N+](=O)[O-])nn1C1CCCC1	20313865	AAOKOARUVYPHDM-UHFFFAOYSA-N	225.204	1.605	5	40	BDBB	
N=C(N)SCCOc1cccc([N+](=O)[O-])c1	48640837	BUEAJECXOWDYSA-UHFFFAOYSA-N	241.272	1.600	5	40	BDBB	
CNc1c([N+](=O)[O-])cnn1-c1ccccc1F	5209372	UGWNDQLDLHSIBY-UHFFFAOYSA-N	236.206	1.961	5	40	BDBB	
Cn1cnnc1-c1ccc([N+](=O)[O-])cc1	4576901	YAMQCIGUCLDFTC-UHFFFAOYSA-N	204.189	1.390	5	40	BDBB	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CC(=O)N2	3845251	DOEUBJKWANSUQD-UHFFFAOYSA-N	235.199	1.048	5	40	BDBB	biogenic
CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])nc1	96453844	WRORBHFBXTXSAD-SECBINFHSA-N	237.259	1.463	5	40	BDBB	
COC(=O)COc1cc(F)ccc1[N+](=O)[O-]	153169	ODNCCKAYVNDMJG-UHFFFAOYSA-N	229.163	1.286	5	40	BDBB	in-vitro
COC(=O)CC(=O)c1cccc([N+](=O)[O-])c1	1609577	DEDHBEWHJGEANM-UHFFFAOYSA-N	223.184	1.341	5	40	BDBB	
Cc1ccc(N2C(=O)CCC2=O)cc1[N+](=O)[O-]	57218452	FTPARFGDHZFCIL-UHFFFAOYSA-N	234.211	1.557	5	40	BDBB	
O=[N+]([O-])c1cnn(CCc2nc(C3CC3)no2)c1	78774216	GCNZQOQPJVYUNB-UHFFFAOYSA-N	249.230	1.294	5	40	BDBB	
Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1O	79836682	ZOVAULMFDQCPGE-UHFFFAOYSA-N	211.099	1.053	5	40	BDBB	
CC[N+](C)(CC)C[C@H]1C[C@@H](C)OC1=O	1758015	NPFQMTANNZXFQC-NXEZZACHSA-N	200.302	1.424	5	40	BDBB	
O=[N+]([O-])c1cccnc1S[C@@H]1CCNC1	91365520	SNIGNBXVZSZZJQ-SSDOTTSWSA-N	225.273	1.444	5	40	BDBB	
CC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	256055919	ZAHYLGGMPIJWNT-QMMMGPOBSA-N	237.211	1.729	5	40	BDBB	
COc1cc(Br)c([N+](=O)[O-])cc1N	95643061	AASIUWXCQAIDKA-UHFFFAOYSA-N	247.048	1.948	5	40	BDBB	in-vitro
O=Cc1csc(Cn2cnc([N+](=O)[O-])n2)c1	15106307	LWUHRRYMPAGRRZ-UHFFFAOYSA-N	238.228	1.109	5	40	BDBB	
O=C(O)C[C@H](C[N+](=O)[O-])c1ccccc1F	57517554	ZKNZMZFLJCJEOS-SSDOTTSWSA-N	227.191	1.661	5	40	BDBB	
O=[N+]([O-])OC12C[C@H]3C[C@@H](C1)CC([N+](=O)[O-])(C3)C2	16513311	YGRYMFYQGBUMTJ-BQKDNTBBSA-N	242.231	1.563	5	40	BDBB	
C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC(N)=O	72578851	MEBCEIIBCIMHBX-MRVPVSSYSA-N	237.259	1.073	5	40	BDBB	
COc1cc([C@@H](C)O)c([N+](=O)[O-])cc1OC	502179	KMRZADDYRLREOY-ZCFIWIBFSA-N	227.216	1.665	5	40	BDBB	biogenic
CCOC(=O)[C@H](C)n1c([N+](=O)[O-])cnc1C	408975709	LUXAGZXIAUFTAX-LURJTMIESA-N	227.220	1.224	5	40	BDBB	
COc1cc(/C=C/C(=O)O)c(O)c([N+](=O)[O-])c1	2524654	RKFZICRZXIFUJB-NSCUHMNNSA-N	239.183	1.407	5	40	BDBB	
O=C1CC[C@@H]([N+](=O)[O-])[C@@H]([C@H]2CC=CCC2)N1	4377633	CGLPKGVDOFMFCQ-IQJOONFLSA-N	224.260	1.267	5	40	BDBB	
O=C(O)c1cnn(Cc2ccc([N+](=O)[O-])cc2)c1	37504540	NUNOCMANFOFTHD-UHFFFAOYSA-N	247.210	1.538	5	40	BDBB	
CCOC(=N)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	113421734	AULRWENEGQDCDR-UHFFFAOYSA-N	239.187	1.865	5	40	BDBB	
Cc1ccc(NCCCN)c([N+](=O)[O-])c1	28644947	FKZUPMCBVURANR-UHFFFAOYSA-N	209.249	1.664	5	40	BDBB	investigational
CCCCn1cc([N+](=O)[O-])c(C(=O)O)n1	229734931	HAXSIADDULFJRT-UHFFFAOYSA-N	213.193	1.290	5	40	BDBB	
Cn1c2ccc([N+](=O)[O-])cc2[n+]2ccccc12	239562627	GVVKPLRSCLXWPD-UHFFFAOYSA-N	228.231	1.825	5	40	BDBB	
O=[N+]([O-])c1cccnc1N[C@H]1CCN(C2CC2)C1	44411817	FIVDEDNJPBXRPN-VIFPVBQESA-N	248.286	1.638	5	40	BDBB	
O=[N+]([O-])c1cc(Br)c2nonc2c1	68675326	NFBBFZYVYYVNCP-UHFFFAOYSA-N	244.004	1.894	5	40	BDBB	
CCc1ccc(OCC(N)=O)c([N+](=O)[O-])c1	70497947	OJFNYGGCGOCWIY-UHFFFAOYSA-N	224.216	1.021	5	40	BDBB	
O=[N+]([O-])c1ccc2nnc(C(F)F)n2c1	1848351031	XGUHGQVGNNYQSN-UHFFFAOYSA-N	214.131	1.575	5	40	BDBB	
CCOC(=O)c1nn(CC(F)F)cc1[N+](=O)[O-]	408715819	FEQRVWKNRGJZOQ-UHFFFAOYSA-N	249.173	1.233	5	40	BDBB	
COc1ccc([N+](=O)[O-])cc1-n1cnnc1	70461534	WVGQPHZNVROXTF-UHFFFAOYSA-N	220.188	1.184	5	40	BDBB	
C[n+]1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1	96191850	PEVOWDAVTGXTAN-UHFFFAOYSA-N	243.242	1.650	5	40	BDBB	
NC(=O)c1ccc(Br)cc1[N+](=O)[O-]	98213532	WQDHNRSSNZHLHF-UHFFFAOYSA-N	245.032	1.456	5	40	BDBB	
COCc1cc([N+](=O)[O-])ccc1N[C@@H](C)CO	91485296	QHUCCCDVRBYFSA-QMMMGPOBSA-N	240.259	1.534	5	40	BDBB	
C[C@@H](O)CCN(C)c1ccc([N+](=O)[O-])nc1	78417991	GRUPREFFSGQJCQ-MRVPVSSYSA-N	225.248	1.197	5	40	BDBB	
CCONC(=O)c1ccc(OC)c([N+](=O)[O-])c1	12757383	FVPCZICFWUUFMK-UHFFFAOYSA-N	240.215	1.285	5	40	BDBB	
O=C(O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12	4715306	YCUYSGICYXXUHR-UHFFFAOYSA-N	234.167	1.135	5	40	BDBB	
O=[N+]([O-])c1cnc(Br)cc1O	79006639	IRLKJRHKZOTPFC-UHFFFAOYSA-N	218.994	1.458	5	40	BDBB	
O=C1OCCN1c1cccc([N+](=O)[O-])c1	32627970	DIAJMQOAAXLQTP-UHFFFAOYSA-N	208.173	1.551	5	40	BDBB	in-vitro
N[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	41665786	RYOKIDCWBVOIQC-VIFPVBQESA-N	221.260	1.522	5	40	BDBB