smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1	13832417	ARIQVZAPFSKYSS-UHFFFAOYSA-N	226.239	1.241	5	1	BDBF	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)CO1	3900929	MAFDJEJVTMUIRN-UHFFFAOYSA-N	235.199	1.291	5	1	BDBF	
CC(=O)[C@@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1	169705251	IUGABSODIVQKKY-UWVGGRQHSA-N	207.185	1.624	5	1	BDBF	
CC(C)([C@@H](O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	8689864	NFLABPXBOFAECE-VIFPVBQESA-N	240.215	1.684	5	1	BDBF	
O=C(CC[N+](=O)[O-])Nc1ccc(Cl)cc1	72114193	PMWWESNEACXJNR-UHFFFAOYSA-N	228.635	1.945	5	1	BDBF	
O=C1N[N+]2(CCCCC2)c2ccccc21	38918847	DAUJFXSGFPIEAO-UHFFFAOYSA-O	203.265	1.836	5	1	BDBF	
CN(C)C(=O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1	587197862	WATMJNDPQIOJLG-UHFFFAOYSA-N	248.242	1.102	5	1	BDBF	
C[C@H](O)[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1	221253566	JJCCOSGFCNSZRR-QUNWWBBNSA-N	209.201	1.416	5	1	BDBF	
CC[N+](C)(CC)CCN1C=CN(C)/C1=C\N=O	209139097	IKYDUNHBQGIJSC-VAWYXSNFSA-N	239.343	1.757	5	1	BDBF	
Cn1c2nc(N)nc(=O)c-2cc2ccccc21	28651796	DLYQFXFQBCTCJL-UHFFFAOYSA-N	226.239	1.016	5	1	BDBF	
Cc1oc(-c2nc3cnncc3[nH]2)cc1[N+](=O)[O-]	587269593	VHWMEHAUBATIQO-UHFFFAOYSA-N	245.198	1.830	5	1	BDBF	
Nc1nc2ccc3c(F)cccc3c2c(=O)[nH]1	13832382	GXDQYMHDWRIWRC-UHFFFAOYSA-N	229.214	1.798	5	1	BDBF	
C[N+](C)(C)CCOc1ccc(Cl)nc1	13537755	MUJLHZTZPCGSES-UHFFFAOYSA-N	215.704	1.820	5	1	BDBF	
Cc1ccc2c(c1)n(O)c1ccc(N)cc1[n+]2=O	377722255	OQAWQUYHZKDRSO-UHFFFAOYSA-N	242.258	1.837	5	1	BDBF	
CC1(C)[C@@H](C[N+](C)(C)C)OC(=O)N1Cl	71341504	QNPSMGBPJWNBFC-SSDOTTSWSA-N	221.708	1.446	5	1	BDBF	
Cc1ccc2nc3[nH]c(=O)[nH]c(=O)c3cc2c1	103202953	UAPMVHCHTOAGDT-UHFFFAOYSA-N	227.223	1.073	5	1	BDBF	
Cc1n(CO[C@H](C)C(C)(C)[N+](=O)[O-])cc[n+]1C	28771455	VCKYWCWWCUHFAZ-SECBINFHSA-N	242.299	1.039	5	1	BDBF	
C[N+]1(C)C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	101008126	QTCHKCVTZGJHQN-WDEREUQCSA-N	219.308	1.042	5	1	BDBF	
C[N@@+]1(CF)CCO[C@](O)(c2ccccc2)C1	253656634	WBLVUGNHIZMFJB-GXTWGEPZSA-N	226.271	1.236	5	1	BDBF	
Cn1c(=O)ccc2c(=O)c3ccccc3oc21	1611551	ZIWQAZXRARQSIN-UHFFFAOYSA-N	227.219	1.645	5	1	BDBF	
C[N+]1(C)CCC[C@H]1CN1CCCCC1=O	13554183	WETMWBDQWONVAD-NSHDSACASA-N	211.329	1.238	5	1	BDBF	
Cc1c(C(N)=O)[nH]c2cccc([N+](=O)[O-])c12	587647452	JAKLLDLNGUXAOH-UHFFFAOYSA-N	219.200	1.483	5	1	BDBF	
O=[N+]([O-])c1cccc(CNC2=NCCO2)c1	103195312	NUBPFMOCANBQNO-UHFFFAOYSA-N	221.216	1.071	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1CNC[C@H](C2)C1	28465796	KKVSVXVHHIOCHW-SCZZXKLOSA-N	218.256	1.844	5	1	BDBF	
C[C@@H](N)c1ccc(NCCCN)c([N+](=O)[O-])c1	169328763	QIBTVQZBDNPCMN-MRVPVSSYSA-N	238.291	1.375	5	1	BDBF	
C[N+]12CC[C@@H](C1)[C@]1(CC(Br)=NO1)C2	73158886	YKODYIQNJABODG-OPXAYGOOSA-N	246.128	1.334	5	1	BDBF	
O=[N+]([O-])c1cccc2c1[C@@H]1CNC[C@@H](C2)C1	101040432	QAOGJKYLKKJSNB-WPRPVWTQSA-N	218.256	1.844	5	1	BDBF	
COc1c[n+]([O-])c2ccccc2c1[N+](=O)[O-]	5998741	SEDHYBDWEGMQLO-UHFFFAOYSA-N	220.184	1.390	5	1	BDBF	
C[N+](C)(CCCC(=O)O)C1CCCC1	169308689	FPYMUMRQEWAZNH-UHFFFAOYSA-O	200.302	1.870	5	1	BDBF	
O=c1[nH]c2cc([N+](=O)[O-])c3ccccc3c2[nH]1	72173478	UCKXVBCLLDGSTG-UHFFFAOYSA-N	229.195	1.918	5	1	BDBF	
O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H](C2)N3)cc1	101227566	PXAFGZLHQCJYKN-IUCAKERBSA-N	219.244	1.145	5	1	BDBF	
CC(=O)N(CC(=O)O)c1cccc([N+](=O)[O-])c1	25985861	BVQBORAJKSUBLG-UHFFFAOYSA-N	238.199	1.032	5	1	BDBF	
C[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C	587192025	QOBUMHCIZACFSM-MRVPVSSYSA-N	248.286	1.964	5	1	BDBF	
Cc1ccc2c(c1)cc1c(=O)nc(N)nc-1n2C	28651804	ZOIVZPMRGUUESL-UHFFFAOYSA-N	240.266	1.324	5	1	BDBF	
CC(C)[N+](C)(C)CCOc1cccnc1	13537750	PGRQAZSJHLPIHM-UHFFFAOYSA-N	209.313	1.945	5	1	BDBF	
CC(C)(C[N+]1(C)CCOCC1)N(Cl)Cl	43075387	GWGKSRQUUVGBRJ-UHFFFAOYSA-N	242.170	1.851	5	1	BDBF	
COc1cc2c(cc1O)C[N+](C)(C)CC2	238771265	FJYMEJHMGFINTD-UHFFFAOYSA-O	208.281	1.533	5	1	BDBF	
C[C@]1(C[N+]2(C)CCCC2)COC(=O)N1Cl	71260756	DMKFBKLGPGCHRP-JTQLQIEISA-N	233.719	1.592	5	1	BDBF	
CC(C)n1c2ccc([N+](=O)[O-])cc2c(=O)n1C	95575964	QESCCLGGLQWTNW-UHFFFAOYSA-N	235.243	1.829	5	1	BDBF	
O=C1Nc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12	28343514	CDLRECHNSHGYDR-LLVKDONJSA-N	247.254	1.906	5	1	BDBF	
O=C(Cn1ccnc1)c1ccccc1[N+](=O)[O-]	34506165	YBQUULCDLHHQLG-UHFFFAOYSA-N	231.211	1.674	5	1	BDBF	
COc1ccccc1C(=O)NCC[N+](C)(C)C	95603382	OTKODFHZTPVCOR-UHFFFAOYSA-O	237.323	1.131	5	3	BDBF	
C[N+]1(C)C[C@@H]2C[C@@H]1CN2c1ccc(Cl)nc1	100068312	HBGYGDPEMJQNII-WDEREUQCSA-N	238.742	1.772	5	1	BDBF	
CCCN(CCC)C(=O)CC[N+](=O)[O-]	72114317	UZKFFPZTEKZJAU-UHFFFAOYSA-N	202.254	1.302	5	1	BDBF	
C[C@@H]1O[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	586917502	QZYOPJMDBFWTDC-RNHFCUEFSA-N	220.188	1.326	5	1	BDBF	
C[C@H](O)[C@@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1	221253672	JJCCOSGFCNSZRR-JUWDTYFHSA-N	209.201	1.416	5	1	BDBF	
Cc1c(C(N)=O)[nH]c2cc([N+](=O)[O-])ccc12	587647809	QEWVJTZNZGVQNI-UHFFFAOYSA-N	219.200	1.483	5	1	BDBF	
COC(=O)N[C@@H](C[N+](=O)[O-])c1cccc(C)c1	66167303	MNFVKYADDOVDQC-JTQLQIEISA-N	238.243	1.669	5	1	BDBF	
C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C	45347814	BNQYUZVIPASURO-NXEZZACHSA-N	202.318	1.275	5	1	BDBF	
CO[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1	26509271	GTGGZKMCHLXADZ-RXMQYKEDSA-N	215.161	1.337	5	1	BDBF	
CCC(CC)[C@@H](O)Cn1c([N+](=O)[O-])cnc1C	27638952	SYEXCCGBGMNCCB-JTQLQIEISA-N	241.291	1.897	5	1	BDBF	
O=C(O)c1ccc2c([N+](=O)[O-])ccc(O)c2n1	584651169	FIDCMBLTBPAIRU-UHFFFAOYSA-N	234.167	1.547	5	1	BDBF	
O=C(O)c1cc([N+](=O)[O-])cc2c1NCCO2	3790238	WZQHJCFCPDYQGA-UHFFFAOYSA-N	224.172	1.097	5	1	BDBF	
C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1	9087	NNCZVCVLBMARHS-UHFFFAOYSA-N	227.719	1.026	5	1	BDBF	
O=NN1[C@H]2C[C@H](O)[C@@H]1c1ccc([N+](=O)[O-])cc12	35994194	LQCIICJFXVZPFE-GUBZILKMSA-N	235.199	1.439	5	1	BDBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(N)=O	587647390	GMFYWPMTXWHETK-UHFFFAOYSA-N	219.200	1.483	5	1	BDBF	
Cc1cc2[nH]c(C[C@@H](C)O)nc2cc1[N+](=O)[O-]	586891673	OQUOKFMGDBRFLT-SSDOTTSWSA-N	235.243	1.703	5	1	BDBF	
C[C@@H](O)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586890570	LAEQQHATPXHURI-RXMQYKEDSA-N	239.206	1.534	5	1	BDBF	
C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1	13840322	QHGCBDFMJKJBOZ-LPEHRKFASA-N	202.343	1.703	5	1	BDBF	
O=[N+]([O-])c1cncc2nc(CC3CC3)[nH]c12	587964014	XZPCAXQPMQESEU-UHFFFAOYSA-N	218.216	1.819	5	1	BDBF	
C[N+]1(C)C[C@H]2C[C@H]1CN2c1ccc(Cl)nn1	100903492	MZVVCFQYWJKQKI-BDAKNGLRSA-N	239.730	1.167	5	1	BDBF	
CCCSC(=O)OCC[N+](C)(C)C	13765270	FWIQOYKQYAXPQZ-UHFFFAOYSA-N	206.331	1.972	5	1	BDBF	
O=NN1[C@H]2C[C@H](O)[C@H]1c1ccc([N+](=O)[O-])cc12	102840920	LQCIICJFXVZPFE-LPEHRKFASA-N	235.199	1.439	5	1	BDBF	
O=C1Nc2cc([N+](=O)[O-])ccc2N2CCCO[C@H]12	473134451	CNFQKCOOTQFZQR-LLVKDONJSA-N	249.226	1.100	5	1	BDBF	
O=[N+]([O-])c1cccc2c1[C@H]1CNC[C@H](C2)C1	101040430	QAOGJKYLKKJSNB-PSASIEDQSA-N	218.256	1.844	5	1	BDBF	
C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1	84712665	VPBHPXZSVKLGMA-KGLIPLIRSA-N	236.335	1.849	5	1	BDBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1N(C)CCO	587647347	WQKDUGNVGDFPFC-UHFFFAOYSA-N	249.270	1.813	5	1	BDBF	
O=C(O)c1c2[nH]c3ccccc3nc-2ccc1=O	5422103	GVQIFYBFFGQRGS-UHFFFAOYSA-N	240.218	1.726	5	1	BDBF	biogenic,in-vitro
CC(C)(C)[C@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587259692	ZCFPEDGHPUZERU-SECBINFHSA-N	249.274	1.912	5	1	BDBF	
Cn1c([N+](=O)[O-])cnc1COc1ccccc1	59848095	BJNXOHUHVWNFLQ-UHFFFAOYSA-N	233.227	1.907	5	1	BDBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ccccc2[nH]1	587275214	ZTPIGZVQYWCXLO-UHFFFAOYSA-N	243.226	1.872	5	1	BDBF	
Cc1cc2[nH]c(C[C@H](C)O)nc2cc1[N+](=O)[O-]	586891674	OQUOKFMGDBRFLT-ZETCQYMHSA-N	235.243	1.703	5	1	BDBF	
C[N+]1(C)CCC2(CC1)CN(Cl)C(=O)O2	68206582	ULJXOHIQVWFQJJ-UHFFFAOYSA-N	219.692	1.201	5	1	BDBF	
O=C(O)c1ccc(-n2ccc([N+](=O)[O-])c2)cc1O	200848353	WKLCGTFISOABEZ-UHFFFAOYSA-N	248.194	1.789	5	1	BDBF	
C[C@H](O)c1ccc(NCCCN)c([N+](=O)[O-])c1	169325748	AZVKVGNQOMESIV-QMMMGPOBSA-N	239.275	1.409	5	1	BDBF	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)CCCNC2	27552441	VTVBSWOPEYYBIC-UHFFFAOYSA-N	237.215	1.539	5	1	BDBF	
O=C(O)c1ccccc1C(O)=C[N+](=O)[O-]	2356853976	SKZOESREFOXMFP-UHFFFAOYSA-N	209.157	1.518	5	1	BDBF	
C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(Cl)nc1	28708883	HBGYGDPEMJQNII-GHMZBOCLSA-N	238.742	1.772	5	1	BDBF	
NNC(=S)Nc1ccc([N+](=O)[O-])cc1Cl	169351355	ZCWCMFLBUKHFEZ-UHFFFAOYSA-N	246.679	1.408	5	1	BDBF	
COc1ccc(-n2cnc([N+](=O)[O-])c2)c(OC)c1	95572972	HAIVLTYZMIKMDK-UHFFFAOYSA-N	249.226	1.798	5	1	BDBF	
C[N+](C)(C)CCN[N@@+]1(C)CCCc2ccccc21	253633895	OYBAXZQESJUZKL-SFHVURJKSA-N	249.402	1.781	5	1	BDBF	
O=[N+]([O-])/C=C1\COCc2cc3c(cc21)OCO3	6001975	DFSFYDOYEHECIY-FPYGCLRLSA-N	235.195	1.563	5	1	BDBF	
O=c1[nH]cnc2oc3ccccc3c(=O)c12	103194611	CTVQDZKOASUJIX-UHFFFAOYSA-N	214.180	1.030	5	1	BDBF	
[O-][N+]12C=CN=C1[C@]1(CCCC[C@@H]1O)CCC2	14614062	OVKBPHRARFRBGO-QXQDIAAESA-N	222.288	1.899	5	1	BDBF	
CC(C)(C)[C@@H]1C[C@H](C[N+](=O)[O-])CC(=O)O1	2356865493	BZPRIYNYTYRFCH-YUMQZZPRSA-N	215.249	1.631	5	1	BDBF	
Cc1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)cn1	82150415	BFLDOICPKSFEOE-UHFFFAOYSA-N	245.238	1.983	5	1	BDBF	
Cc1cc(-c2cccc([N+](=O)[O-])c2)n(O)c(=O)c1	1772599302	LXPTWDXWTBSUHO-UHFFFAOYSA-N	246.222	1.969	5	1	BDBF	
NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086337	YFFOMVWCIQBNDZ-UHFFFAOYSA-N	249.251	1.817	5	1	BDBF	
O=c1cc2c3ccccc3n3c(=O)ccc([nH]1)c23	14517259	BDCOKQCMZJCYDY-UHFFFAOYSA-N	236.230	1.732	5	1	BDBF	
Cn1ccnc1C(=O)Cc1ccc([N+](=O)[O-])cc1	377987	PILKORPOCYTULC-UHFFFAOYSA-N	245.238	1.754	5	3	BDBF	
N=c1ccc2c([N+](=O)[O-])ccc(O)c2[nH]1	1857643514	XKJVOIWVZHHZDR-UHFFFAOYSA-N	205.173	1.261	5	1	BDBF	
C[N+](C)(C)CCc1ccc2c(c1)OCC2	1772631515	YBLQTGIHORXGKX-UHFFFAOYSA-N	206.309	1.870	5	1	BDBF	
C[N+](C)(C)C[C@@H]1CCC[C@H](C[N+](C)(C)C)[C@H]1O	254200499	RGEJGKAPVHMJMK-BTTYYORXSA-N	244.423	1.176	5	1	BDBF	
CC(=O)Oc1ccc2cc([N+](=O)[O-])c(=O)oc2c1	13737795	TYIFTKXNZMJRIX-UHFFFAOYSA-N	249.178	1.627	5	1	BDBF	
C[C@H]1Cc2cc([N+](=O)[O-])cc(C(N)=O)c2O1	169348789	ZKQAOVSCYXKRLS-YFKPBYRVSA-N	222.200	1.017	5	1	BDBF	
Cc1ccc(C(C)([N+](=O)[O-])[N+](=O)[O-])cc1	1857745712	UBYQZCJHTGUZCH-UHFFFAOYSA-N	210.189	1.721	5	1	BDBF	
C[N+]1(C)CCC[C@@]2(CC(Br)=NO2)C1	73157562	MVNQYRRCWYNGKY-SECBINFHSA-N	248.144	1.724	5	1	BDBF	
O=C(O)c1nc2cc3ccccc3cc2c(=O)[nH]1	169339050	PETQDNWHKWQRAU-UHFFFAOYSA-N	240.218	1.775	5	1	BDBF	
C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1	13840328	QHGCBDFMJKJBOZ-IVZWLZJFSA-N	202.343	1.703	5	1	BDBF	
C=C(NC(C)=O)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587202248	CIQRKTOEBNIGHS-UHFFFAOYSA-N	246.226	1.578	5	1	BDBF	
O=[N+]([O-])C=Cc1ccc(O)c([N+](=O)[O-])c1	2356816034	VCJGSGVYGSQPRX-UHFFFAOYSA-N	210.145	1.548	5	1	BDBF	
N[C@@H](COc1ccc([N+](=O)[O-])cc1)N=O	957895606	DNRINFPPZNQNLQ-MRVPVSSYSA-N	211.177	1.025	5	1	BDBF	
CC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	169705250	IUGABSODIVQKKY-VHSXEESVSA-N	207.185	1.624	5	1	BDBF	
C[N+](C)(C)CCOC(=O)Nc1ccncc1	28977277	ABKKPNBHJUSEOK-UHFFFAOYSA-O	224.284	1.336	5	1	BDBF	
CC(=O)C[C@H](O)/C=C/c1ccc([N+](=O)[O-])cc1	29473269	JJUXGYANMDOGSL-RPTYSRGTSA-N	235.239	1.948	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)CN[C@@H](CCCO)C2	28364233	KKNCDMOHQGALEG-NSHDSACASA-N	236.271	1.382	5	1	BDBF	
C[N+]1(C)CCC[C@]2(CC(Br)=NO2)C1	73157556	MVNQYRRCWYNGKY-VIFPVBQESA-N	248.144	1.724	5	1	BDBF	
Cc1oc(-c2nc3ncncc3[nH]2)cc1[N+](=O)[O-]	587269612	VVWXDVJQHSDISR-UHFFFAOYSA-N	245.198	1.830	5	1	BDBF	
Cc1cc2cc3oc(=O)ccc3c(O)c2c(=O)o1	2356789441	DHGUZKSSDZAWMR-UHFFFAOYSA-N	244.202	1.913	5	1	BDBF	
O=[N+]([O-])c1cccc2nc(CC3OCCO3)[nH]c12	586907085	DBPAOUYTBVZPBR-UHFFFAOYSA-N	249.226	1.387	5	1	BDBF	
N[C@H]1CCO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1	28877608	QJWRHRAMQATBRD-GXSJLCMTSA-N	238.243	1.358	5	1	BDBF	
C[C@@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N	28877169	BXNIGFVNPDKNLC-XROYCOCOSA-N	238.243	1.356	5	1	BDBF	
O=C1COc2ccc([N+](=O)[O-])cc2C(=O)C1	102951324	QKTQPRBTMNLASN-UHFFFAOYSA-N	221.168	1.129	5	1	BDBF	
O=c1c2c(O)cccc2[nH]c2cc(O)cc(O)c12	14774935	QBWZOSBIQGQJFW-UHFFFAOYSA-N	243.218	1.798	5	1	BDBF	
CC[C@H](O)c1nc2cncc([N+](=O)[O-])c2[nH]1	586900762	LUFYIIZZFFSBLZ-ZETCQYMHSA-N	222.204	1.310	5	1	BDBF	
C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C	45348821	BNQYUZVIPASURO-VHSXEESVSA-N	202.318	1.275	5	1	BDBF	
COc1cc2c(cc1OC)NCC[N+](C)(C)C2	169316913	WHCISMWXESKLQW-UHFFFAOYSA-N	237.323	1.706	5	1	BDBF	
Cc1nc2ncnn2c2c1CC[N@@+]2(C)C(C)(C)C	254133714	YNCWLOPJJAYTGV-GOSISDBHSA-N	246.338	1.724	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[C@H]1CNC[C@@H]2C1	28472864	AJJVWIGUUYROJX-JGVFFNPUSA-N	204.229	1.769	5	1	BDBF	
O=C1Nc2cc([N+](=O)[O-])ccc2N2CCCO[C@@H]12	473134452	CNFQKCOOTQFZQR-NSHDSACASA-N	249.226	1.100	5	1	BDBF	
COCC(=O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1	587563201	PJKGFEMUDCTVMU-UHFFFAOYSA-N	249.226	1.229	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)C[C@H]1CNC[C@@H]2C1	28468494	NTFKOQBZSNCLLA-SCZZXKLOSA-N	218.256	1.844	5	1	BDBF	
NC(=O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	299825456	CSNTXEVBSHRBRQ-QMMMGPOBSA-N	228.635	1.186	5	1	BDBF	
O=[N+]([O-])c1nc(-c2ccccn2)[nH]c1[N+](=O)[O-]	5545382	NEAWSHQWBBYUEK-UHFFFAOYSA-N	235.159	1.288	5	1	BDBF	
CC1(C)[C@H](C[N+](C)(C)C)OC(=O)N1Cl	71341503	QNPSMGBPJWNBFC-ZETCQYMHSA-N	221.708	1.446	5	1	BDBF	
Nc1ccc2c(c1)[n+](=O)c1cc(F)ccc1n2O	64549251	ACFROHRNJHRKSR-UHFFFAOYSA-N	246.221	1.668	5	1	BDBF	
CCc1nc(O)c2scc([N+](=O)[O-])c2n1	1857605816	XJBRCSXIIBLOCU-UHFFFAOYSA-N	225.229	1.868	5	1	BDBF	
C[N+]1(C)CCCC[C@@H]1CN1CCCCC1=O	13554186	CGLXAXCGJGNUJX-GFCCVEGCSA-N	225.356	1.628	5	1	BDBF	
C[C@H](F)[C@@H](N)c1nc2cccc([N+](=O)[O-])c2[nH]1	587122282	CGYJGGSAMKSPBV-YLWLKBPMSA-N	238.222	1.829	5	1	BDBF	
COc1c2cc([N+](=O)[O-])ccc2nn1C	95576673	CADNPPRSSXARHQ-UHFFFAOYSA-N	207.189	1.490	5	1	BDBF	
O=c1c([N+](=O)[O-])c(O)[nH]c2cccc(Cl)c12	13760417	XAADUMMVTUEUSP-UHFFFAOYSA-N	240.602	1.795	5	1	BDBF	
O=c1nc(NCc2ccccc2[N+](=O)[O-])cc[nH]1	84669276	YRXWAGAPOXHYBD-UHFFFAOYSA-N	246.226	1.290	5	1	BDBF	
O=[N+]([O-])c1ccc2nc(CC3OCCO3)[nH]c2c1	586907644	IHPDQJQHTABJDL-UHFFFAOYSA-N	249.226	1.387	5	1	BDBF	
O=[N+]([O-])c1ccc(-c2csc3[n+]2CCN3)o1	1494	QWNNGDMXFGRSPJ-UHFFFAOYSA-O	238.248	1.629	5	1	BDBF	in-man
C[C@H](O)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	586890574	LAEQQHATPXHURI-YFKPBYRVSA-N	239.206	1.534	5	1	BDBF	
CN1CC(=O)N(C)c2cc([N+](=O)[O-])ccc21	28128066	PHIPSRPLCAKQDQ-UHFFFAOYSA-N	221.216	1.007	5	1	BDBF	
O=[N+]([O-])c1cccc2c1c([N+](=O)[O-])cc[n+]2[O-]	5438174	VJEAOAHNLWAJGZ-UHFFFAOYSA-N	235.155	1.290	5	1	BDBF	
C[N+]12CC[C@H](C1)[C@]1(CC(Br)=NO1)C2	73158891	YKODYIQNJABODG-ZYKPYLKRSA-N	246.128	1.334	5	1	BDBF	
O=[N+]([O-])c1c[nH]c(-c2nnc(-c3ccc[nH]3)o2)c1	103287094	PUPWNEGNMOSANK-UHFFFAOYSA-N	245.198	1.968	5	1	BDBF	
C[N+]1(C)CCN(CCc2ccccc2)CC1	28961768	XDRROUUQFBVKBZ-UHFFFAOYSA-N	219.352	1.621	5	1	BDBF	
O=[N+]([O-])c1ccc(OCC2=NCCO2)cc1	40973023	NYSZPMIVTLARMP-UHFFFAOYSA-N	222.200	1.402	5	1	BDBF	
COc1ccc2[nH]c(=O)cc(C)c2c1[N+](=O)[O-]	17194668	UEVOWYGDNLFANM-UHFFFAOYSA-N	234.211	1.753	5	1	BDBF	
CCn1c(=O)nc2oc3ccccc3cc-2c1=O	95552965	BXYUXUYCOVWAHD-UHFFFAOYSA-N	242.234	1.474	5	1	BDBF	
O=c1c2cc3c(cc2[nH]c2ncccc12)OCO3	5581271	ATMCPQFDMIRXMA-UHFFFAOYSA-N	240.218	1.805	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)C=CS(=O)(=O)O2	95583020	NXOYKLJCFGWVSI-UHFFFAOYSA-N	227.197	1.288	5	1	BDBF	
CNC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12	587647069	OPKUHTJLVIEVDW-UHFFFAOYSA-N	233.227	1.744	5	1	BDBF	
O=[N+]([O-])c1ccc(-c2ccnc3nnnn23)cc1	653830190	BOPXZDUMAQIQNL-UHFFFAOYSA-N	242.198	1.095	5	1	BDBF	
C[C@@H](F)[C@@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587122573	FLVOIMLRAQXVJC-CLZZGJSISA-N	239.210	1.224	5	1	BDBF	
Cn1cc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cn1	169699620	YCAWICYVQZBSDC-UHFFFAOYSA-N	247.210	1.513	5	1	BDBF	
C[C@H](O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	169705259	JJCCOSGFCNSZRR-WQGWLQIFSA-N	209.201	1.416	5	1	BDBF	
O=c1c2cccnc2[nH]c2ccc3[nH]ncc3c12	5581264	BIOGSUZSWZKZCE-UHFFFAOYSA-N	236.234	1.953	5	1	BDBF	
COc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1	13832396	GKUPFLWKPATNMY-UHFFFAOYSA-N	241.250	1.667	5	1	BDBF	
CC1(C)Nc2ccc([N+](=O)[O-])c(N)c2[N+]1=O	169686801	DTIHGGORCXZISC-UHFFFAOYSA-N	223.212	1.749	5	1	BDBF	
O=C1C[C@H](Sc2ccc([N+](=O)[O-])cc2)N1	299869539	UXVFUJRMQXAGBZ-VIFPVBQESA-N	224.241	1.533	5	1	BDBF	
NNc1nnc(-c2ccccc2[N+](=O)[O-])s1	28001730	GCEIYAWVSKSVQQ-UHFFFAOYSA-N	237.244	1.399	5	1	BDBF	
C[C@@H]1O[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	586917547	RTXQTRZEYGWROR-MHTLYPKNSA-N	220.188	1.326	5	1	BDBF	
COc1cc([N+](=O)[O-])c(OC)cc1C[C@@H](C)N	6036794	JQJRESSXOVAECC-SSDOTTSWSA-N	240.259	1.502	5	1	BDBF	
Nc1nc2ccc3c(N)c(F)ccc3c2c(=O)[nH]1	13832422	SXOWBOOMOAPSFZ-UHFFFAOYSA-N	244.229	1.380	5	1	BDBF	
CC[N+](CC)(CC)C[C@@H](O)CCC(=O)O	84385754	HLNHYDXQCJDPGW-JTQLQIEISA-O	218.317	1.089	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[n+]([O-])c1n2CCC1	35855259	FJFXGMRJMCBQND-UHFFFAOYSA-N	219.200	1.129	5	1	BDBF	
O=[N+]([O-])c1cccc(CP(=O)(O)O)c1	26289105	ZOCMCJIBOKTDGH-UHFFFAOYSA-N	217.117	1.273	5	1	BDBF	
Nc1cc2nc3cc(CO)ccc3oc-2cc1=O	13353693	ALDTVWNDTXLMDJ-UHFFFAOYSA-N	242.234	1.367	5	1	BDBF	
Cc1n(CO[C@@H](C)C(C)(C)[N+](=O)[O-])cc[n+]1C	28771458	VCKYWCWWCUHFAZ-VIFPVBQESA-N	242.299	1.039	5	1	BDBF	
C[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C	587191604	NBBFOKYLGUETTI-ZETCQYMHSA-N	249.274	1.359	5	1	BDBF	
O=C(NC1CCCCC1)c1nc([N+](=O)[O-])c[nH]1	1772571193	DWTHOJITKVARCN-UHFFFAOYSA-N	238.247	1.380	5	1	BDBF	
COCC(=O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1	587562832	GHFRTUKDJYEWHS-UHFFFAOYSA-N	249.226	1.229	5	1	BDBF	
O=c1[nH]c2c(nc3cnccn32)c2ccccc12	45394267	DYAZPVTUJDWMKF-UHFFFAOYSA-N	236.234	1.724	5	1	BDBF	
COc1ccc2ccc(O)nc2c1[N+](=O)[O-]	1857751930	WSBHESDPVVJLTI-UHFFFAOYSA-N	220.184	1.857	5	1	BDBF	
Cc1ccc(NC(=O)CC[N+](=O)[O-])c(C)c1	72112711	WLDHBRCOYUZPOV-UHFFFAOYSA-N	222.244	1.909	5	1	BDBF	
COc1cc(O)c2c(=O)c3cccnc3[nH]c2c1	3585524	YBQAOLAOJPANCF-UHFFFAOYSA-N	242.234	1.791	5	1	BDBF	
N[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)OC1	28877317	XLRJFTGVSFGFIX-ONGXEEELSA-N	238.243	1.358	5	1	BDBF	
CCOC(=O)c1cc2nc(C)[nH]c2cc1[N+](=O)[O-]	40938252	PDNFNXXPOTWWQH-UHFFFAOYSA-N	249.226	1.956	5	1	BDBF	
C[C@@H]1Cc2cc([N+](=O)[O-])cc(C(N)=O)c2O1	169348787	ZKQAOVSCYXKRLS-RXMQYKEDSA-N	222.200	1.017	5	1	BDBF	
COc1ccc(C(C)([N+](=O)[O-])[N+](=O)[O-])cc1	1857634550	QZPNKKZQKMEAQE-UHFFFAOYSA-N	226.188	1.421	5	1	BDBF	
Cc1cc2nc(N)[nH]c(=O)c2c2ccccc12	13832401	WBCBIFZAKMWASR-UHFFFAOYSA-N	225.251	1.967	5	1	BDBF	
CCOC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)[N+]1(C)C	101551393	SIXIPRQNIBAUJC-PTEHBNRSSA-N	239.339	1.897	5	1	BDBF	
N[C@@H]1CC[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C1	587246625	HYLOAXXGWJVIBD-NKWVEPMBSA-N	247.258	1.461	5	1	BDBF	
COc1cc([N+](=O)[O-])c(OC)cc1C[C@H](C)N	6020975	JQJRESSXOVAECC-ZETCQYMHSA-N	240.259	1.502	5	1	BDBF	
O=[N+]([O-])c1ccc(NCCCc2c[nH]cn2)nc1	13743057	RUWLKRMCVYYUQQ-UHFFFAOYSA-N	247.258	1.758	5	1	BDBF	
Nc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1	653859625	YHUAZSANAXCOGS-UHFFFAOYSA-N	241.210	1.668	5	1	BDBF	
C[N+]1(C)C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	5764772	QTCHKCVTZGJHQN-GHMZBOCLSA-N	219.308	1.042	5	1	BDBF	
C[N+]1(C)C[C@@H]2C[C@@H]1CN2c1ccc(Cl)nn1	100903491	MZVVCFQYWJKQKI-DTWKUNHWSA-N	239.730	1.167	5	1	BDBF	
C[N+](C)(C)c1ccc2c(c1)C=CS(=O)(=O)O2	299844523	CLFSNRGLJNSYNN-UHFFFAOYSA-N	240.304	1.576	5	1	BDBF	
CC(C)[C@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587258733	JSLRBBZTNLSTDL-QMMMGPOBSA-N	235.247	1.522	5	1	BDBF	
O=c1oc(-c2ccccc2[N+](=O)[O-])ns1	95586257	MWHYZFFRPRNQQP-UHFFFAOYSA-N	224.197	1.672	5	1	BDBF	
CC(C)C1=NC(=O)c2cc([N+](=O)[O-])ccc2CN1	45194368	JQZCWTUXGYZBGX-UHFFFAOYSA-N	247.254	1.893	5	1	BDBF	
O=[N+]([O-])c1cncc2nc(C3=COCC3)[nH]c12	586911934	AZQKXGLMYMZGSW-UHFFFAOYSA-N	232.199	1.627	5	1	BDBF	
Cc1cc(OCc2ncc([N+](=O)[O-])n2C)ccn1	66073951	QZBDPYHJWYXFIN-UHFFFAOYSA-N	248.242	1.611	5	1	BDBF	
O=[N+]([O-])c1cccc(-n2cnc([N+](=O)[O-])c2)c1	95580046	FIIJMJCOJCUZIP-UHFFFAOYSA-N	234.171	1.689	5	1	BDBF	
Nc1c(CCC(=O)O)[nH]c2cccc([N+](=O)[O-])c12	587647602	JUTMEICADOCBNG-UHFFFAOYSA-N	249.226	1.676	5	1	BDBF	
CCc1c2cnccc2c(N)c2nc(=N)[nH]cc12	1857615872	WUOFUDZVUUPNQR-UHFFFAOYSA-N	239.282	1.735	5	1	BDBF	
C[C@@H](F)[C@H](N)c1nc2cccc([N+](=O)[O-])c2[nH]1	587122281	CGYJGGSAMKSPBV-XRGYYRRGSA-N	238.222	1.829	5	1	BDBF	
CNC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12	587647338	WMQXKGFJAUEGAS-UHFFFAOYSA-N	233.227	1.744	5	1	BDBF	
CN1C[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C1	169356981	PRWWOGQHZCSEBR-MNOVXSKESA-N	247.254	1.259	5	1	BDBF	
N[C@H]1CC[C@@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1	587246124	DDPGCPVQVNVQQK-WDSKDSINSA-N	233.231	1.071	5	1	BDBF	
C[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C	587192026	QOBUMHCIZACFSM-QMMMGPOBSA-N	248.286	1.964	5	1	BDBF	
CC(C)[C@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587259706	ZIDSYSGYXOFGFY-QMMMGPOBSA-N	235.247	1.522	5	1	BDBF	
N[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C1CC1	587255667	MAQHMIFJXWOQJN-SECBINFHSA-N	232.243	1.881	5	1	BDBF	
N[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C1CC1	587256211	ZUYWXJRXMPDFBD-MRVPVSSYSA-N	233.231	1.276	5	1	BDBF	
Cc1noc(C[C@@H]2C[N+]3(C)CCC2CC3)n1	1857581935	JVDCZEVFWIJMDW-LOIXOFCESA-N	222.312	1.407	5	1	BDBF	
CC/N=c1\c([N+](=O)[O-])c(O)oc2ccccc12	101471924	RCDZTXISXDSQHA-XFXZXTDPSA-N	234.211	1.967	5	1	BDBF	
Cc1cncn1CC(=O)c1ccc([N+](=O)[O-])cc1	82158767	VBFMELHQDYSEQJ-UHFFFAOYSA-N	245.238	1.983	5	1	BDBF	
Cc1cc([N+](=O)[O-])cc(C)c1NC1=NCCN1	28359963	GFVADYUATPPOLR-UHFFFAOYSA-N	234.259	1.583	5	1	BDBF	
NCCn1c(S)nc2cc([N+](=O)[O-])ccc21	72106479	HITGYSJTYLSBLD-UHFFFAOYSA-N	238.272	1.192	5	1	BDBF	
O=c1[nH]c2c(nc3ncccn32)c2ccccc12	45348936	ZREWYLZFFAQUQO-UHFFFAOYSA-N	236.234	1.724	5	1	BDBF	
O=[N+]([O-])c1c(O)nc2nc(Cl)ccc2c1O	29389104	ZYBYOMSGZIRQFA-UHFFFAOYSA-N	241.590	1.603	5	1	BDBF	
C[N+]1(C)CCN(c2cccc(O)c2)CC1	13470059	MXNXHAQQNBGUEJ-UHFFFAOYSA-O	207.297	1.289	5	1	BDBF	
O=[N+]([O-])C1=Cc2c(O)ccc(O)c2[C@@H]2OC=C[C@H]12	1655854	LKSOGXZBRDWWSX-SREIQFSDSA-N	247.206	1.930	5	1	BDBF	
C[C@@]1(C[N+]2(C)CCCC2)COC(=O)N1Cl	71260757	DMKFBKLGPGCHRP-SNVBAGLBSA-N	233.719	1.592	5	1	BDBF	
Cc1cccc(N2CC[N+](C)(C)CC2)c1	13470051	RXYPEZWSFHKUQM-UHFFFAOYSA-N	205.325	1.891	5	1	BDBF	
Cc1nc(N)nc2c1c(=O)[nH]c1ccccc12	64549917	BLFDBOUKKHISHY-UHFFFAOYSA-N	226.239	1.362	5	1	BDBF	
Cc1cccc2cc3c(=O)[nH]c(=O)[nH]c3nc12	103201612	RUUIYZGSCPLPSQ-UHFFFAOYSA-N	227.223	1.073	5	1	BDBF	
C[N+](=O)C[CH-]C(=O)c1ccc([N+](=O)[O-])cc1	169712120	WAEFRFAVSQUTGM-UHFFFAOYSA-N	222.200	1.390	5	1	BDBF	
CC[C@H](C)C(=O)OC[N+]1(C)CCCC1	27526364	KZVUPNHCEPTFSP-JTQLQIEISA-N	200.302	1.774	5	1	BDBF	
C[N+]1(C)CCN(c2ccc(F)cc2)CC1	13470070	XWNDBFKGLWHCOA-UHFFFAOYSA-N	209.288	1.722	5	1	BDBF	
O=NN1CCN=C1c1ccc([N+](=O)[O-])cc1	31841013	BRUCWFJVHUKGDC-UHFFFAOYSA-N	220.188	1.338	5	1	BDBF	
C[C@H]1O[C@@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N	29123216	BXNIGFVNPDKNLC-ONOSFVFSSA-N	238.243	1.356	5	1	BDBF	
C[C@@H]1O[C@@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1N	28877171	JUMJMBLCZJKKAE-XROYCOCOSA-N	238.243	1.356	5	1	BDBF	
O=[N+]([O-])c1cccc(OCCc2c[nH]cn2)c1	13758818	RCMDAACMRMIYJB-UHFFFAOYSA-N	233.227	1.939	5	1	BDBF	
CC(=N)c1c(O)oc2ccc([N+](=O)[O-])cc2c1=O	104067473	QCRPVMXHESFODK-UHFFFAOYSA-N	248.194	1.795	5	1	BDBF	
Cc1cc2c(=O)oc3c(O)cccc3c2oc1=O	40845779	NZPWDOVJYOANMS-UHFFFAOYSA-N	244.202	1.913	5	1	BDBF	
Cc1ccc([N+](=O)[O-])c(OC(=O)N(C)C)c1	103181900	QYIVAVKMLTZYKM-UHFFFAOYSA-N	224.216	1.964	5	1	BDBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=S)S	28461081	KTYHQMNWRMWOBO-UHFFFAOYSA-N	247.301	1.331	5	1	BDBF	
O=C1Nc2cc([N+](=O)[O-])ccc2N2CCC[C@H]12	28334875	LXCDUUMVADOAFC-SNVBAGLBSA-N	233.227	1.516	5	1	BDBF	
Cn1c(C(C)(C)[n+]2ccccc2)cnc1[N+](=O)[O-]	169342242	FAZRJEYKXUTKHC-UHFFFAOYSA-N	247.278	1.399	5	1	BDBF	
c1ccc2c(c1)nn[n+]1c3cnccc3[nH]c21	103941482	DGKJAQSECLEWLA-UHFFFAOYSA-O	222.231	1.245	5	1	BDBF	
C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nc1	28708885	HBGYGDPEMJQNII-QWRGUYRKSA-N	238.742	1.772	5	1	BDBF	
CC(C)(C)[C@H]1C[C@H](C[N+](=O)[O-])CC(=O)O1	2356865491	BZPRIYNYTYRFCH-JGVFFNPUSA-N	215.249	1.631	5	1	BDBF	
C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1	13491008	MZVVCFQYWJKQKI-IUCAKERBSA-N	239.730	1.167	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1CNC[C@@H](C2)C1	101023405	KKVSVXVHHIOCHW-WPRPVWTQSA-N	218.256	1.844	5	1	BDBF	
O=C1C[C@@H](Sc2ccc([N+](=O)[O-])cc2)N1	299869538	UXVFUJRMQXAGBZ-SECBINFHSA-N	224.241	1.533	5	1	BDBF	
O=[N+]([O-])c1cccc(N2C[C@@H]3C[C@@H]2CN3)c1	101113407	FMRLQZCAHQMEJP-GZMMTYOYSA-N	219.244	1.145	5	1	BDBF	
O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCCC2	1645556	FXWLITZBMJHUCM-UHFFFAOYSA-N	247.254	1.895	5	1	BDBF	
C[N+]12CC[C@@H](C1)[C@@]1(CC(Br)=NO1)C2	169356876	YKODYIQNJABODG-KCWAGMIYSA-N	246.128	1.334	5	1	BDBF	
Nc1nc2cc(CO)c3ccccc3c2c(=O)[nH]1	13832405	NUZGTHRCAKDJOX-UHFFFAOYSA-N	241.250	1.151	5	1	BDBF	
CONC(=S)Nc1ccc([N+](=O)[O-])cc1	29048696	VXVDRBWBZGQRCX-UHFFFAOYSA-N	227.245	1.443	5	1	BDBF	
CN1C[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1	73166722	PRWWOGQHZCSEBR-WDEREUQCSA-N	247.254	1.259	5	1	BDBF	
C[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C	587189766	DWLTVBFFQCVQSJ-ZETCQYMHSA-N	249.274	1.359	5	1	BDBF	
Nc1c(O)cc(O)c2c(=O)c3ccccc3oc12	40917995	AXLBFCDOJHRVIC-UHFFFAOYSA-N	243.218	1.940	5	1	BDBF	
Cc1ccc2c(c1)n(O)c1ccc(O)cc1[n+]2=O	377817454	IUMSMWATCREOIS-UHFFFAOYSA-O	243.242	1.960	5	1	BDBF	
O=NN1[C@@H]2C[C@H](O)[C@H]1c1ccc([N+](=O)[O-])cc12	35994193	LQCIICJFXVZPFE-KXUCPTDWSA-N	235.199	1.439	5	1	BDBF	
Nc1nonc1Oc1cccc([N+](=O)[O-])c1	33835986	KQMODUZLGFNILY-UHFFFAOYSA-N	222.160	1.352	5	1	BDBF	
CC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N1	72187411	KUIRCUSOIOVBRV-SNVBAGLBSA-N	206.201	1.520	5	1	BDBF	
COc1ccc(-n2cnc([N+](=O)[O-])c2)cc1OC	95576043	YKQORBOCVIMRCY-UHFFFAOYSA-N	249.226	1.798	5	1	BDBF	
CCOC(=O)[C@H](C[N+](=O)[O-])c1ccc(F)cc1	299824117	ARWUMZLBXDTTOC-SNVBAGLBSA-N	241.218	1.749	5	1	BDBF	
C=C(NC(C)=O)c1nc2cccc([N+](=O)[O-])c2[nH]1	587202166	ASYFUEHEWRUIMY-UHFFFAOYSA-N	246.226	1.578	5	1	BDBF	
N[C@@H]1CC[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C1	587246991	KXMCLEXQWYGPOG-NKWVEPMBSA-N	247.258	1.461	5	1	BDBF	
NCc1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)O	587647686	MJNCDULQVLCXEI-UHFFFAOYSA-N	249.226	1.162	5	1	BDBF	
Cc1cccc(NC(=O)CC[N+](=O)[O-])c1C	72113218	HPUOHLOGIKTFJJ-UHFFFAOYSA-N	222.244	1.909	5	1	BDBF	
Cc1cc(C2=C[C@@H]3CC[C@H]2[N+]3(C)C)on1	73164528	UQICAXFERRCIPG-GXSJLCMTSA-N	205.281	1.987	5	1	BDBF	
C[N+]1(C)C[C@H]2C[C@H]1CN2c1ccc(Cl)nc1	100068320	HBGYGDPEMJQNII-MNOVXSKESA-N	238.742	1.772	5	1	BDBF	
Cc1cc(C2=C[C@@H]3CC[C@@H]2[N+]3(C)C)on1	102896533	UQICAXFERRCIPG-ONGXEEELSA-N	205.281	1.987	5	1	BDBF	
O=[N+]([O-])c1ccc(-c2cnc3ncccn23)o1	29058800	LBGBDRSYANMWFE-UHFFFAOYSA-N	230.183	1.898	5	1	BDBF	
CC(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	5759266	HEJCLOIMZSBYGI-HWKANZROSA-N	238.243	1.973	5	1	BDBF	
CCOC(=O)c1cc(O)c([N+](=O)[O-])c(O)c1	238731933	FVZRDGHJPDSLFH-UHFFFAOYSA-N	227.172	1.183	5	1	BDBF	
Nc1ccc2c(=O)c3cc(N)ccc3[nH]c2c1	149950117	ZIARYWRGLMALGM-UHFFFAOYSA-N	225.251	1.846	5	1	BDBF	
Cc1nc(O)c2csc([N+](=O)[O-])c2n1	1857572328	MJEKFFDBSRGZSX-UHFFFAOYSA-N	211.202	1.614	5	1	BDBF	
NC1=CC=C[CH]N1Cc1ccccc1[N+](=O)[O-]	2356838316	YRQSSVNTTTTXID-UHFFFAOYSA-N	230.247	1.928	5	1	BDBF	
Cc1ccc2c(c1)[n+]([O-])c1ccc(O)cc1[n+]2[O-]	101358289	IWEHVDCOKOIIJD-UHFFFAOYSA-N	242.234	1.274	5	1	BDBF	
C[N+]1(C)CCN(c2ccc(O)cc2)CC1	13470073	WZTKRAMFOXKRHT-UHFFFAOYSA-O	207.297	1.289	5	1	BDBF	
COc1ccc(N2CCOC2=O)cc1[N+](=O)[O-]	64624666	NGTSNDUVTGWBIZ-UHFFFAOYSA-N	238.199	1.560	5	1	BDBF	in-vitro
CCn1c2nc(N)nc(=O)c-2cc2ccccc21	28651800	DUAXLNRDLZEITA-UHFFFAOYSA-N	240.266	1.498	5	1	BDBF	
COC(=O)N(C)COc1ccc([N+](=O)[O-])cc1	40567195	FBUANSKQPPMGGX-UHFFFAOYSA-N	240.215	1.629	5	1	BDBF	
[O-][n+]1c2cc(O)ccc2nc2cccc(O)c21	14651221	RUUKMMPCUHBLOE-UHFFFAOYSA-N	228.207	1.433	5	1	BDBF	
CC1(C)C=C(C(N)=O)c2cc([N+](=O)[O-])ccc2O1	40620105	USIUYWKXDBEPCU-UHFFFAOYSA-N	248.238	1.635	5	1	BDBF	
O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]2CN3)cc1	101137926	OSOOEVXAUKIPDZ-GZMMTYOYSA-N	219.244	1.145	5	1	BDBF	
O=[N+]([O-])c1cncc2nc([C@H]3CCOC3)[nH]c12	586913169	NVJFNRLXGICRQK-LURJTMIESA-N	234.215	1.370	5	1	BDBF	
C[C@@H](F)[C@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587122580	FLVOIMLRAQXVJC-FBCQKBJTSA-N	239.210	1.224	5	1	BDBF	
COC(=O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	299828581	NZSHMNCRWSHWIY-SECBINFHSA-N	243.646	1.873	5	1	BDBF	
C[N+](C)(C)[C@@H]1CCc2cccc(O)c2C1	1772593483	NLSHQWBJFSHJOV-LLVKDONJSA-O	206.309	1.956	5	1	BDBF	
C[C@@H]1O[C@H](c2ccc([N+](=O)[O-])cc2)OC[C@H]1N	28877195	BXNIGFVNPDKNLC-WHGOUJPWSA-N	238.243	1.356	5	1	BDBF	
CCCCCC[C@@](C)(O)C[N+](C)(C)[BH2-]C#N	195264667	RGBDIZZDDHPEIE-GFCCVEGCSA-N	226.173	1.349	5	1	BDBF	
C[N+](C)(C)CCNC(=O)c1ccccc1	142281315	IRYHZWMHRTZKFG-UHFFFAOYSA-O	207.297	1.123	5	3	BDBF	
CC(C)([C@H](O)c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	8689863	NFLABPXBOFAECE-SECBINFHSA-N	240.215	1.684	5	1	BDBF	
NC1CC(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)C1	587255838	ZAGXXXGPPISAIO-UHFFFAOYSA-N	247.258	1.146	5	1	BDBF	
COCc1cc2c(cc1/C=C/[N+](=O)[O-])OCO2	1861559	GTWAMVYOTJMGHJ-NSCUHMNNSA-N	237.211	1.809	5	1	BDBF	
CC(C)SC(=O)OCC[N+](C)(C)C	26823348	GWAPYWIXLRQKEA-UHFFFAOYSA-N	206.331	1.971	5	1	BDBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1N(C)CCO	587647075	OVDRPYLHJGCTDC-UHFFFAOYSA-N	249.270	1.813	5	1	BDBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(Cl)cc2)C1	13605055	IHQWOCLRVCOUOB-GFCCVEGCSA-N	242.726	1.592	5	1	BDBF	
O=c1cccc2[nH]c3c(O)cccc3nc1-2	100306190	ONJSXTHEUGPPDZ-UHFFFAOYSA-N	212.208	1.734	5	1	BDBF	in-vitro
N[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)C1COC1	587256976	QRWBNTIOUYLAHG-SECBINFHSA-N	248.242	1.117	5	1	BDBF	
Cc1cc([N+](=O)[O-])c(O)c2c1C[C@@H](C)OC2=O	1857565141	ZOYIQJRPPQAUGO-ZCFIWIBFSA-N	237.211	1.710	5	1	BDBF	
C[C@]12CCC(=O)N1c1ccc([N+](=O)[O-])cc1N2	5551839	ZVRZECGULZZRFM-LLVKDONJSA-N	233.227	1.863	5	1	BDBF	
Cc1[nH]c(=O)nc2c1c(=O)[nH]c1ccccc12	64235677	VHGTUOJYFVTCJE-UHFFFAOYSA-N	227.223	1.073	5	1	BDBF	
O=c1c2cc(O)ccc2[nH]c2cc(O)cc(O)c12	27558008	ZNICVLQYUJJRMP-UHFFFAOYSA-N	243.218	1.798	5	1	BDBF	
COc1cccc([C@@H](O)C[N+](C)(C)C)c1	1772630062	BVIPRSSGQWRQMR-LBPRGKRZSA-N	210.297	1.435	5	1	BDBF	
Cc1cc([N+](=O)[O-])ccc1N(C)c1nnn[nH]1	27897657	VILUJZMCUJNKTP-UHFFFAOYSA-N	234.219	1.184	5	1	BDBF	
O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])cn2)nc1	34606997	RMAKYXFYASJVKA-UHFFFAOYSA-N	246.182	1.960	5	1	BDBF	
O=C1Nc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12	28343520	CDLRECHNSHGYDR-NSHDSACASA-N	247.254	1.906	5	1	BDBF	
O=[N+]([O-])c1cccc(N2C[C@H]3C[C@@H]2CN3)c1	53014147	FMRLQZCAHQMEJP-LDYMZIIASA-N	219.244	1.145	5	1	BDBF	
C[C@@H](F)[C@@H](N)c1nc2cccc([N+](=O)[O-])c2[nH]1	587122279	CGYJGGSAMKSPBV-SVGQVSJJSA-N	238.222	1.829	5	1	BDBF	
CC(=O)Oc1ccc2oc(=O)c([N+](=O)[O-])cc2c1	13737793	VXRBVAQHVQZSFB-UHFFFAOYSA-N	249.178	1.627	5	1	BDBF	
CC(=O)Oc1cccc2cc([N+](=O)[O-])c(=O)oc12	13737796	DTCDXWPMLURVFM-UHFFFAOYSA-N	249.178	1.627	5	1	BDBF	
COc1ccc2ccc3nc(N)nc(N)c3c2c1	5889673	LKYSUZLQYNDFAY-UHFFFAOYSA-N	240.266	1.956	5	1	BDBF	
N=c1nc2c(N)c3ccncc3cc2c[nH]1	584904811	PQAQQDCVZZTPPJ-UHFFFAOYSA-N	211.228	1.173	5	1	BDBF	in-vitro
C[C@H](F)[C@H](N)c1nc2cccc([N+](=O)[O-])c2[nH]1	587122280	CGYJGGSAMKSPBV-XNCJUZBTSA-N	238.222	1.829	5	1	BDBF	
O=[N+]([O-])c1ccccc1OCC1=NCCO1	40973049	WXDLRNCJBFXAFN-UHFFFAOYSA-N	222.200	1.402	5	1	BDBF	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1	1857582048	YMHAHYRCKZSMDS-UHFFFAOYSA-N	247.210	1.675	5	1	BDBF	
C[N+]1(C)CCCN(c2ccc(Cl)nn2)CC1	13491011	NLFWMGSRIXQHBL-UHFFFAOYSA-N	241.746	1.417	5	1	BDBF	
NC1CC(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)C1	587255615	SKZMCTFYEUYALE-UHFFFAOYSA-N	246.270	1.751	5	1	BDBF	
N[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C1CC1	587255678	MQJDXNQXDHVOGS-MRVPVSSYSA-N	233.231	1.276	5	1	BDBF	
Nc1nc2ccc3ccc(F)cc3c2c(=O)[nH]1	13832388	PAISEIMJHSEYSH-UHFFFAOYSA-N	229.214	1.798	5	1	BDBF	
CCOC(=O)c1ccccc1C(O)=C[N+](=O)[O-]	2356875801	NWNUTTFWQRXJIJ-UHFFFAOYSA-N	237.211	1.996	5	1	BDBF	
C[N+]1(C)CCN2CCc3cccc(c32)C1	169316915	QMCKMKZYZPHTSN-UHFFFAOYSA-N	203.309	1.639	5	1	BDBF	
CC(=O)Nc1nc(-c2ccc([N+](=O)[O-])o2)no1	26503951	AFORZZUBNCKVTO-UHFFFAOYSA-N	238.159	1.196	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[C@H]1CNC[C@H](C2)C1	101023400	KKVSVXVHHIOCHW-PSASIEDQSA-N	218.256	1.844	5	1	BDBF	
Cn1cnc2cc([N+](=O)[O-])c([N+](=O)[O-])cc21	27706201	PEFKYZOKXRUFRY-UHFFFAOYSA-N	222.160	1.390	5	1	BDBF	
Cc1nc2cc(C(=O)O)c([N+](=O)[O-])cc2[nH]1	96939218	WSXNRGHTKAMJFC-UHFFFAOYSA-N	221.172	1.478	5	1	BDBF	
C[C@H](N)c1ccc(NCCCN)c([N+](=O)[O-])c1	169328764	QIBTVQZBDNPCMN-QMMMGPOBSA-N	238.291	1.375	5	1	BDBF	
C[C@@H]1O[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	586916871	HRWRTCAXWWXVDA-SSDLBLMSSA-N	219.200	1.931	5	1	BDBF	
C[N+](C)(CCCC(=O)O)CC1CCC1	169308693	MDWCBLVOOPADHV-UHFFFAOYSA-O	200.302	1.728	5	1	BDBF	
O=C(O)c1cc(=O)c2ccc([N+](=O)[O-])cc2[nH]1	13821201	IQRAMWTVXIQPPW-UHFFFAOYSA-N	234.167	1.135	5	1	BDBF	
COc1ccc(OCC[N+](C)(C)C)cn1	13537761	WDFGKOMYZNVUEJ-UHFFFAOYSA-N	211.285	1.175	5	1	BDBF	
c1ccc2nc3c(nc2c1)[nH]c1cccc[n+]13	102811540	HWQAREWPJPBYRJ-UHFFFAOYSA-O	221.243	1.850	5	1	BDBF	
O=NN1[C@H]2c3ccc([N+](=O)[O-])cc3[C@H]1C[C@@H]2O	137448370	LQCIICJFXVZPFE-UTLUCORTSA-N	235.199	1.439	5	1	BDBF	
C[N@+]1(CF)CCO[C@](O)(c2ccccc2)C1	253656637	WBLVUGNHIZMFJB-JSGCOSHPSA-N	226.271	1.236	5	1	BDBF	
C[C@H](F)[C@@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587125551	SGCORDAQDUSHEQ-MHTLYPKNSA-N	239.210	1.224	5	1	BDBF	
CN1C(=O)NC(=Cc2ccc([N+](=O)[O-])cc2)C1=O	2356844892	NJXKKMWQUOZWAL-UHFFFAOYSA-N	247.210	1.117	5	1	BDBF	
C[N+]1(C)CCN(c2cccc(N)c2)CC1	13470064	XFPGZNFHUNNEBL-UHFFFAOYSA-N	206.313	1.165	5	1	BDBF	
CN1CCC[C@H]1COc1cccnc1[N+](=O)[O-]	26570332	LSUGHUYGLJQRQT-VIFPVBQESA-N	237.259	1.463	5	1	BDBF	
COC(=O)N[C@H](C[N+](=O)[O-])c1cccc(C)c1	8689922	MNFVKYADDOVDQC-SNVBAGLBSA-N	238.243	1.669	5	1	BDBF	
C[C@@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1N	28877200	JUMJMBLCZJKKAE-WHGOUJPWSA-N	238.243	1.356	5	1	BDBF	
O=c1[nH]c(=O)c2cc3cc(Cl)ccc3nc2[nH]1	103201620	ZOPYAVUANPOWFN-UHFFFAOYSA-N	247.641	1.418	5	1	BDBF	
COc1cc2ccc([N+](=O)[O-])cc2c(=O)o1	13528037	LEIYGEZBDWNDKR-UHFFFAOYSA-N	221.168	1.710	5	1	BDBF	
Cc1nc2ncnn2c2c1CC[N+]2(C)C(C)(C)C	95561684	YNCWLOPJJAYTGV-UHFFFAOYSA-N	246.338	1.724	5	1	BDBF	
C[C@@H]1NN=C(c2ccccc2)[C@@H]1[N+](=O)[O-]	28455370	QNIRAONBUFOMEN-OIBJUYFYSA-N	205.217	1.028	5	1	BDBF	
C[C@@H](F)[C@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587125549	SGCORDAQDUSHEQ-FBCQKBJTSA-N	239.210	1.224	5	1	BDBF	
Cc1cc(C)c2c(=O)c([N+](=O)[O-])c(O)[nH]c2c1	13760420	IPIYGYRWMPIQNA-UHFFFAOYSA-N	234.211	1.759	5	1	BDBF	
CCCn1c2ccc([N+](=O)[O-])cc2c(=O)n1C	95573635	IBRXCBDNCOAVTR-UHFFFAOYSA-N	235.243	1.658	5	1	BDBF	
C[N+](C)(C)CCN1CCc2ccccc21	199199207	LEQFLRZFRQMJNE-UHFFFAOYSA-N	205.325	1.755	5	3	BDBF	
COc1ccc([N+](=O)[O-])c2nc(O)ccc12	1857748218	JRMJQBOBQRAUEZ-UHFFFAOYSA-N	220.184	1.857	5	1	BDBF	
CC[N+](C)(C)C[C@]1(C)COC(=O)N1Cl	68206583	YLONUUSUVFKNSF-SECBINFHSA-N	221.708	1.447	5	1	BDBF	
Cc1sc(C(=O)NC[C@@H]2CO2)cc1[N+](=O)[O-]	26266371	YCNYLYPNGBAYEU-ZCFIWIBFSA-N	242.256	1.093	5	1	BDBF	
N[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCOC1	587248915	YURFWLYPOFNQAE-NSHDSACASA-N	248.242	1.045	5	1	BDBF	
Cc1ccc2c(c1)nc1cc(N)ccc1[n+]2[O-]	64549889	YVWQQGNKZAFPPT-UHFFFAOYSA-N	225.251	1.912	5	1	BDBF	
CN(C)C(=O)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1	587197194	LODKEAHUUIDXLY-UHFFFAOYSA-N	248.242	1.102	5	1	BDBF	
C[N+]1(C)C[C@@H]2C[C@@H](Cn3c2cccc3=O)C1	526228	QTCHKCVTZGJHQN-QWRGUYRKSA-N	219.308	1.042	5	1	BDBF	
O=C(CF)COC(=O)c1ccc([N+](=O)[O-])cc1	2032358	RINGFEANYXFKDL-UHFFFAOYSA-N	241.174	1.290	5	1	BDBF	
O=[N+]([O-])c1ccc(CN2CCOCC2)o1	196552763	IKBQLPBZEYFMHD-UHFFFAOYSA-N	212.205	1.020	5	1	BDBF	
O=c1nc(S)nc2[nH]c3ccccc3cc1-2	6584015	SQSDYCCKAFRNLS-UHFFFAOYSA-N	229.264	1.712	5	1	BDBF	
C[C@H]1NN=C(c2ccccc2)[C@@H]1[N+](=O)[O-]	28455372	QNIRAONBUFOMEN-GMSGAONNSA-N	205.217	1.028	5	1	BDBF	
CC(=O)N1CCC(c2ccccc2[N+](=O)[O-])=N1	70463343	OXZYMNOEEYRVIS-UHFFFAOYSA-N	233.227	1.551	5	1	BDBF	
C[N+]1(C)CCCC[C@H]1CN1CCCC1=O	13554185	PTLVXXQLMDEHLP-NSHDSACASA-N	211.329	1.238	5	1	BDBF	
N[C@H]1CCO[C@H](c2ccc([N+](=O)[O-])cc2)OC1	28877304	QJWRHRAMQATBRD-ONGXEEELSA-N	238.243	1.358	5	1	BDBF	
O=[N+]([O-])c1ccc(OCCc2c[nH]cn2)cc1	13758816	QMEXHOHNFJWHKK-UHFFFAOYSA-N	233.227	1.939	5	1	BDBF	
C[C@@]1(C[N+](C)(C)C)COC(=O)N1Cl	71341493	RCLQLFHYXYMDTJ-MRVPVSSYSA-N	207.681	1.057	5	1	BDBF	
C[N+]1(C[18F])CCO[C@@](O)(c2ccccc2)C1	101082758	WBLVUGNHIZMFJB-YOUSMMCSSA-N	225.274	1.236	5	1	BDBF	
CCOC(=O)[C@H](C[N+](=O)[O-])c1ccc(C)cc1	299826957	IRZLRULJCAARBT-LLVKDONJSA-N	237.255	1.918	5	1	BDBF	
O=C1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1	1646981	JMGVBIQIKMIKDH-UHFFFAOYSA-N	248.238	1.748	5	1	BDBF	
O=[N+]([O-])c1cccc(OCC2=NCCO2)c1	40976843	YCXGCVUEXSXBGB-UHFFFAOYSA-N	222.200	1.402	5	1	BDBF	
NC1CC(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)C1	587254956	AAPJVNTXETWNJX-UHFFFAOYSA-N	247.258	1.146	5	1	BDBF	
C[C@@H](O)c1ccc(NCCCN)c([N+](=O)[O-])c1	169325744	AZVKVGNQOMESIV-MRVPVSSYSA-N	239.275	1.409	5	1	BDBF	
O=[N+]([O-])c1ccc2ccoc2c1N1CCNCC1	13741479	GFEADFVUEHCRRJ-UHFFFAOYSA-N	247.254	1.751	5	1	BDBF	
C[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O	26987848	ITUYZKDPJCZALT-UHFFFAOYSA-N	247.318	1.379	5	1	BDBF	
C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1	84652766	VPBHPXZSVKLGMA-ZIAGYGMSSA-N	236.335	1.849	5	1	BDBF	
CSc1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1	1857760432	LNWHEFGAILRQSQ-UHFFFAOYSA-N	243.273	1.558	5	1	BDBF	
CC1(C)CN1C(=O)c1ccc([N+](=O)[O-])o1	26501544	MALQUDGYPSWMRH-UHFFFAOYSA-N	210.189	1.422	5	1	BDBF	
CN(C)C(=S)Oc1ccc([N+](=O)[O-])cc1	34569933	IODSRTXIHLRCHL-UHFFFAOYSA-N	226.257	1.820	5	1	BDBF	
CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H](N)[C@@H]1O	29331809	QCENTZQRUWWDBU-ZJUUUORDSA-N	238.243	1.127	5	1	BDBF	
CC(=O)c1ccc(N2CC[N+](C)(C)CC2)cc1	13470076	IWEVMLJSRTWAJA-UHFFFAOYSA-N	233.335	1.786	5	1	BDBF	
C[C@H]1O[C@H](c2cccc([N+](=O)[O-])c2)OC[C@H]1N	29123214	JUMJMBLCZJKKAE-AVPPRXQKSA-N	238.243	1.356	5	1	BDBF	
Nc1nc2ccc3cc(F)cc(N)c3c2c(=O)[nH]1	13832423	FQQKRLRXROHLBW-UHFFFAOYSA-N	244.229	1.380	5	1	BDBF	
C[C@@H]1NN=C(c2ccccc2)[C@H]1[N+](=O)[O-]	28455376	QNIRAONBUFOMEN-XVKPBYJWSA-N	205.217	1.028	5	1	BDBF	
O=[N+]([O-])c1cccc(-c2cn3ccnnc3n2)c1	1857631875	FAZLEFIABLCIIO-UHFFFAOYSA-N	241.210	1.700	5	1	BDBF	
O=[N+]([O-])CCc1nc(-c2ccccc2)no1	28236991	OKYYJAIEBGZPDH-UHFFFAOYSA-N	219.200	1.556	5	1	BDBF	
Cn1ccnc1/C=C/c1ncc([N+](=O)[O-])n1C	40974094	XEROUWHMUNEVHX-ONEGZZNKSA-N	233.231	1.232	5	1	BDBF	
O=[N+]([O-])c1cc2nc(CCO)[nH]c2cc1F	586894609	OJGDIZHPDBCCRB-UHFFFAOYSA-N	225.179	1.145	5	1	BDBF	
CC[C@@H](C)C(=O)OC[N+]1(C)CCCC1	27526362	KZVUPNHCEPTFSP-SNVBAGLBSA-N	200.302	1.774	5	1	BDBF	
C[C@]1(C[N+](C)(C)C)COC(=O)N1Cl	71341492	RCLQLFHYXYMDTJ-QMMMGPOBSA-N	207.681	1.057	5	1	BDBF	
C/C=C/C[N+]12CN3CN(CP(C3)C1)C2	1857617915	NYDLUHAPKJNXKP-NSCUHMNNSA-N	212.257	1.251	5	1	BDBF	
C[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)C(=O)O1	3654503	LSCFWBFSDFFJCG-ZETCQYMHSA-N	219.196	1.924	5	1	BDBF	
C[N+](C)(C)CCN[N@+]1(C)CCCc2ccccc21	253633892	OYBAXZQESJUZKL-GOSISDBHSA-N	249.402	1.781	5	1	BDBF	
C[N+]1(C)CCN(c2cccc(F)c2)CC1	13470053	CCFWSRUAQMUCLR-UHFFFAOYSA-N	209.288	1.722	5	1	BDBF	
CC[N+](C)(C)C[C@@]1(C)COC(=O)N1Cl	68206585	YLONUUSUVFKNSF-VIFPVBQESA-N	221.708	1.447	5	1	BDBF	
C[N@@+]1(CF)CCO[C@@](O)(c2ccccc2)C1	253656641	WBLVUGNHIZMFJB-TZMCWYRMSA-N	226.271	1.236	5	1	BDBF	
Cc1noc(C[C@H]2C[N+]3(C)CCC2CC3)n1	1857581936	JVDCZEVFWIJMDW-VTWZXRTESA-N	222.312	1.407	5	1	BDBF	
Cc1cccc(-c2cc([N+](=O)[O-])cc(C)[n+]2[O-])n1	34606984	HISIFLSUVIYVCK-UHFFFAOYSA-N	245.238	1.907	5	1	BDBF	
C[N+]1(CF)CCO[C@@](O)(c2ccccc2)C1	28646612	WBLVUGNHIZMFJB-PUODRLBUSA-N	226.271	1.236	5	1	BDBF	
Cc1nc(=O)oc2c1c(=O)n(C)c1ccccc21	3846459	WYPSMTPVJMBHLS-UHFFFAOYSA-N	242.234	1.348	5	1	BDBF	biogenic
C[n+]1ccc2c3ccccc3n3c(=O)ccc1c23	35825751	PNJQPVNETAWJFP-UHFFFAOYSA-N	235.266	1.868	5	1	BDBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cccnc2[nH]1	587275028	QFVPQACLDKDUCJ-UHFFFAOYSA-N	244.214	1.267	5	1	BDBF	
Cc1cc(C2=C[C@H]3CC[C@H]2[N+]3(C)C)on1	102896537	UQICAXFERRCIPG-MWLCHTKSSA-N	205.281	1.987	5	1	BDBF	
C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C	45348023	BYUATYGHJAYLEQ-NXEZZACHSA-N	202.318	1.275	5	1	BDBF	
CO[C@H](C)OC(=O)c1ccc([N+](=O)[O-])o1	26509276	GTGGZKMCHLXADZ-YFKPBYRVSA-N	215.161	1.337	5	1	BDBF	
CCCn1nc2cccc([N+](=O)[O-])c2n1	1772656212	JVSRIUFPWRJDKM-UHFFFAOYSA-N	206.205	1.750	5	1	BDBF	
CN1CCCO[C@H](c2ccc([N+](=O)[O-])cc2)O1	1647676	JLZJARRJINRZIC-NSHDSACASA-N	238.243	1.877	5	1	BDBF	
O=[N+]([O-])C1=Cc2c(O)ccc(O)c2[C@@H]2OC=C[C@@H]12	1655856	LKSOGXZBRDWWSX-PWCHPLFNSA-N	247.206	1.930	5	1	BDBF	
Nc1ccc(O)c2c(=O)c3ccccc3[nH]c12	36426969	LUHMXVLNEXJYJA-UHFFFAOYSA-N	226.235	1.969	5	1	BDBF	
CCCNC(=O)c1ccc(CO)c([N+](=O)[O-])c1	2178320291	XFZULFVKYBETPU-UHFFFAOYSA-N	238.243	1.227	5	1	BDBF	
C[C@H](Cc1ccccc1)[N+](C)(C)CCO	27184680	VUKXOSYQZPRYMC-GFCCVEGCSA-N	208.325	1.686	5	1	BDBF	
NCc1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)O	587647944	UXVWDKMGMUWSOH-UHFFFAOYSA-N	249.226	1.162	5	1	BDBF	
CC(=O)C[C@@H](O)/C=C/c1ccc([N+](=O)[O-])cc1	29473265	JJUXGYANMDOGSL-NTYUQYKDSA-N	235.239	1.948	5	1	BDBF	
CN1C[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C1	254120076	PRWWOGQHZCSEBR-QWRGUYRKSA-N	247.254	1.259	5	1	BDBF	
Nc1ccc2c(ccc3nc(N)[nH]c(=O)c32)c1	13832419	LZWPNTUZVZKHKS-UHFFFAOYSA-N	226.239	1.241	5	1	BDBF	
COc1cccc(N2CC[N+](C)(C)CC2)c1	13470061	HVFVYNUWEYJBMZ-UHFFFAOYSA-N	221.324	1.592	5	1	BDBF	
C[N+]1(C)CCc2cc3c(cc2C1)OCO3	211250941	HVNBTQHUPRUBBL-UHFFFAOYSA-N	206.265	1.548	5	1	BDBF	
COc1cccc([C@H](O)C[N+](C)(C)C)c1	1772630061	BVIPRSSGQWRQMR-GFCCVEGCSA-N	210.297	1.435	5	1	BDBF	
Cc1ccccc1N1CC[N+](C)(C)CC1	13470046	DGWCPYPTJHCJDI-UHFFFAOYSA-N	205.325	1.891	5	1	BDBF	
O=[N+]([O-])c1cnc2[nH]c(C3=COCC3)nc2c1	586913906	UXURYPRAMYADLI-UHFFFAOYSA-N	232.199	1.627	5	1	BDBF	
COc1ccc(NC(=O)CC[N+](=O)[O-])cc1	72114432	LHIXOMXLHYTJLT-UHFFFAOYSA-N	224.216	1.301	5	1	BDBF	
CC(=O)Oc1cccc(N2CC[N+](C)(C)CC2)c1	13470063	CYKVIZLRIVLRTI-UHFFFAOYSA-N	249.334	1.508	5	1	BDBF	
O=Cc1cc(-c2cncnc2)cc([N+](=O)[O-])c1O	169699622	BHOUCTGFKWXJRR-UHFFFAOYSA-N	245.194	1.570	5	1	BDBF	
Cc1ncc([N+](=O)[O-])n1CC[n+]1ccccc1	4032143	RNNSZIOJHWINFW-UHFFFAOYSA-N	233.251	1.087	5	1	BDBF	
O=C(NN1CC=CCC1)c1ccc([N+](=O)[O-])cc1	27767998	UFLUXULVNIOXKY-UHFFFAOYSA-N	247.254	1.502	5	1	BDBF	
C[N@+]1(CF)CCO[C@@](O)(c2ccccc2)C1	253656638	WBLVUGNHIZMFJB-OCCSQVGLSA-N	226.271	1.236	5	1	BDBF	
N[C@H]1CC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1	587246399	HWRDAQVVYQWQOC-BQBZGAKWSA-N	232.243	1.676	5	1	BDBF	
C[N+]1(CF)CCO[C@](O)(c2ccccc2)C1	28646615	WBLVUGNHIZMFJB-NBFOIZRFSA-N	226.271	1.236	5	1	BDBF	
CC[N+](C)(CC)CCN1C=CN(C)C1=CN=O	1857535529	IKYDUNHBQGIJSC-UHFFFAOYSA-N	239.343	1.757	5	1	BDBF	
CCC/C=C/C(=O)OCC[N+](C)(C)C	85589703	FEBXWAFFYJZFMS-BQYQJAHWSA-N	200.302	1.592	5	1	BDBF	endogenous,in-man
C[C@@H]1C=C(c2ccc([N+](=O)[O-])cc2)C(=O)O1	3654505	LSCFWBFSDFFJCG-SSDOTTSWSA-N	219.196	1.924	5	1	BDBF	
C[N+](C)(C)CCCCCC(=O)CN=O	169691945	JCUBIYOIUWFHMR-UHFFFAOYSA-N	201.290	1.589	5	1	BDBF	
CC(=O)NC=Cc1ccccc1[N+](=O)[O-]	2356870065	WJGPMPPKMVRJTO-UHFFFAOYSA-N	206.201	1.702	5	1	BDBF	
C[N+](C)(C)CCNC(=O)c1c[nH]c2ccccc12	199199232	BUDFQOOKHRBVGO-UHFFFAOYSA-O	246.334	1.604	5	3	BDBF	
N[C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)OC1	28877615	XLRJFTGVSFGFIX-GXSJLCMTSA-N	238.243	1.358	5	1	BDBF	
C[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C	587192482	UOEPINLCCMSZRO-MRVPVSSYSA-N	248.286	1.964	5	1	BDBF	
Nc1nc2ccc3cccc(N)c3c2c(=O)[nH]1	13832420	QMRJCHMKJFASDO-UHFFFAOYSA-N	226.239	1.241	5	1	BDBF	
O=c1c2cccc(F)c2nc2ccccn12	584635866	HNCDFJGLXRQYGP-UHFFFAOYSA-N	214.199	1.987	5	1	BDBF	
CC1(C)CN(CC[N+](C)(C)C)C(=O)N1Cl	69061702	VSOWCGBQFZVGGR-UHFFFAOYSA-N	234.751	1.363	5	1	BDBF	
Cc1oc2c(C(N)=O)cccc2c1[N+](=O)[O-]	169337797	HKLPIYSOENILHB-UHFFFAOYSA-N	220.184	1.748	5	1	BDBF	
C[N@@+]12CC[C@@H](C1)[C@]1(CC(Br)=NO1)C2	254121075	YKODYIQNJABODG-QOSJWCAFSA-N	246.128	1.334	5	1	BDBF	
Cc1c2cnccc2c(N)c2nc(=N)[nH]cc12	1857579990	UDYQQQXLCKRSIQ-UHFFFAOYSA-N	225.255	1.481	5	1	BDBF	
C[C@@]12CCC(=O)N1c1ccc([N+](=O)[O-])cc1N2	5551176	ZVRZECGULZZRFM-NSHDSACASA-N	233.227	1.863	5	1	BDBF	
CC[N+](C)(CC)CCN1C=CN(C)/C1=C/N=O	148137227	IKYDUNHBQGIJSC-QXMHVHEDSA-N	239.343	1.757	5	1	BDBF	
Nc1nc2ccc3cc(F)ccc3c2c(=O)[nH]1	13832386	VOLJLRZOFJZCLX-UHFFFAOYSA-N	229.214	1.798	5	1	BDBF	
C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(Cl)nn1	27310189	MZVVCFQYWJKQKI-RKDXNWHRSA-N	239.730	1.167	5	1	BDBF	
C[C@@H](O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	169705255	JJCCOSGFCNSZRR-WHFVKQHSSA-N	209.201	1.416	5	1	BDBF	
CCOC(=O)[C@@H](C[N+](=O)[O-])c1ccc(F)cc1	299824111	ARWUMZLBXDTTOC-JTQLQIEISA-N	241.218	1.749	5	1	BDBF	
Cc1cc2[nH]c(CCO)nc2cc1[N+](=O)[O-]	586894591	NPKGUPIGIATUJI-UHFFFAOYSA-N	221.216	1.314	5	1	BDBF	
CCCCCC[C@](C)(O)C[N+](C)(C)[BH2-]C#N	195264673	RGBDIZZDDHPEIE-LBPRGKRZSA-N	226.173	1.349	5	1	BDBF	
O=NN1[C@H]2c3ccc([N+](=O)[O-])cc3[C@H]1C[C@H]2O	169353990	LQCIICJFXVZPFE-BBBLOLIVSA-N	235.199	1.439	5	1	BDBF	
N[C@H](COc1ccc([N+](=O)[O-])cc1)N=O	957895607	DNRINFPPZNQNLQ-QMMMGPOBSA-N	211.177	1.025	5	1	BDBF	
O=[N+]([O-])c1cn(-c2ccc3c(c2)OCO3)cn1	95575989	GLDYKWVOAOUJJN-UHFFFAOYSA-N	233.183	1.509	5	1	BDBF	
CN1C[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1	73166720	PRWWOGQHZCSEBR-GHMZBOCLSA-N	247.254	1.259	5	1	BDBF	
O=C1[C@@H]2CCCN2CN1c1ccc([N+](=O)[O-])cc1	1772642128	TXYKDKVSVUSEJM-NSHDSACASA-N	247.254	1.363	5	1	BDBF	
CCN(CC)N1C(=O)N[N+](CC)(CC)C1=O	5160768	JNJQEYLIRKTISR-UHFFFAOYSA-O	229.304	1.160	5	1	BDBF	
C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1	13840326	QHGCBDFMJKJBOZ-UTLUCORTSA-N	202.343	1.703	5	1	BDBF	
C[N+]12CC[C@H](C1)[C@@]1(CC(Br)=NO1)C2	169356877	YKODYIQNJABODG-SGAJNUDASA-N	246.128	1.334	5	1	BDBF	
C[N+]1(C)CCCC[C@@H]1CN1CCCC1=O	13554184	PTLVXXQLMDEHLP-LLVKDONJSA-N	211.329	1.238	5	1	BDBF	
C[N@@+]12CC[C@@H](C1)[C@@]1(CC(Br)=NO1)C2	254121073	YKODYIQNJABODG-LPBBDHJYSA-N	246.128	1.334	5	1	BDBF	
C[C@@H](F)[C@@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587125548	SGCORDAQDUSHEQ-CLZZGJSISA-N	239.210	1.224	5	1	BDBF	
O=c1c2cccnc2[nH]c2ccc3cn[nH]c3c12	6513238	GRQGINULBDKPBV-UHFFFAOYSA-N	236.234	1.953	5	1	BDBF	
O=[N+]([O-])c1cccc2nc(CCO)[nH]c12	586894829	WFWHGHJBVMXJDV-UHFFFAOYSA-N	207.189	1.006	5	1	BDBF	
O=C(CC[N+](=O)[O-])Nc1ccc(Cl)cn1	72113089	SLZYORWCZIEUKN-UHFFFAOYSA-N	229.623	1.340	5	1	BDBF	
CC1=NC(=Cc2cccc([N+](=O)[O-])c2O)C(=O)O1	2356812835	JBLIFEJYCPUKQX-UHFFFAOYSA-N	248.194	1.617	5	1	BDBF	
N=C(N)c1cc2cc([N+](=O)[O-])ccc2[nH]1	66167001	ZFLOQYGDSBVASK-UHFFFAOYSA-N	204.189	1.360	5	1	BDBF	in-vitro
CC(=O)Nc1cccc(N2CC[N+](C)(C)CC2)c1	13470066	FCNWMQKROFOVHB-UHFFFAOYSA-O	248.350	1.541	5	1	BDBF	
Cc1nnc[n+]([O-])c1/C=C/c1ccc([N+](=O)[O-])o1	38339983	ONUVKBGGZCHBAO-DUXPYHPUSA-N	248.198	1.090	5	1	BDBF	
Cc1oc(-c2nc3ncc[nH]c-3n2)cc1[N+](=O)[O-]	587268628	HKEBQBNKRXBHSC-UHFFFAOYSA-N	245.198	1.781	5	1	BDBF	
C[N@+]12CC[C@@H](C1)[C@@]1(CC(Br)=NO1)C2	254121076	YKODYIQNJABODG-VMAXQDLPSA-N	246.128	1.334	5	1	BDBF	
O=[N+]([O-])c1cccc2c(O)nc3nccnc3c12	17252442	XHPYLHQTBGRZHN-UHFFFAOYSA-N	242.194	1.792	5	1	BDBF	
CCn1c(=O)c2cnc(N)nc2c2ccccc21	3847578	HBRRBWNNJQGWJL-UHFFFAOYSA-N	240.266	1.547	5	1	BDBF	biogenic
COc1c(O)ccc(/C=C/C(=O)O)c1[N+](=O)[O-]	40836519	IPGDTZGEJFMZNF-HWKANZROSA-N	239.183	1.407	5	1	BDBF	
Cn1cnc([N+](=O)[O-])c1Nc1ccccc1O	7029786	AKZXAXJJRFXINX-UHFFFAOYSA-N	234.215	1.778	5	3	BDBF	
O=[N+]([O-])c1nccn1[C@@H]1CCC[C@@H]2O[C@@H]21	27106112	HOBVXDULYHLRGF-GJMOJQLCSA-N	209.205	1.284	5	1	BDBF	
Nc1cc2nc3c(O)cccc3oc-2cc1=O	95580806	KJYPAKRBNJQKOY-UHFFFAOYSA-N	228.207	1.581	5	1	BDBF	
O=C(NCC1CC1)Nc1ncc([N+](=O)[O-])s1	1857618909	NRBRMUVNOLUFJM-UHFFFAOYSA-N	242.260	1.583	5	1	BDBF	
Cn1nc2ccc3ccccc3c2nc1=N	101906786	VWGQAGSZIGHFRR-UHFFFAOYSA-N	210.240	1.601	5	1	BDBF	
COc1ccc2c(c1)[n+](=O)c1ccccc1n2O	377840339	QYNXLVIVFLRBGG-UHFFFAOYSA-N	243.242	1.955	5	1	BDBF	
Cc1sc(C(=O)NC[C@H]2CO2)cc1[N+](=O)[O-]	26266378	YCNYLYPNGBAYEU-LURJTMIESA-N	242.256	1.093	5	1	BDBF	
O=C1CCN(c2cccc([N+](=O)[O-])c2)C(=O)N1	212413206	GMUGBPYYXAGNCT-UHFFFAOYSA-N	235.199	1.041	5	1	BDBF	in-vitro
Cc1ccc2oc3c(ccc(=O)n3C)c(=O)c2c1	1611549	FFXXUSNVUCLMSL-UHFFFAOYSA-N	241.246	1.953	5	1	BDBF	
C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1	13840324	QHGCBDFMJKJBOZ-BBBLOLIVSA-N	202.343	1.703	5	1	BDBF	
O=NN1[C@H]2C[C@@H](O)[C@@H]1c1ccc([N+](=O)[O-])cc12	169353993	LQCIICJFXVZPFE-AEJSXWLSSA-N	235.199	1.439	5	1	BDBF	
C[N+]1(C)CC[C@H](OCc2nccs2)C1	1772582442	MFGYBSGZIYVTHC-VIFPVBQESA-N	213.326	1.508	5	1	BDBF	
Cc1ccc2nc3cc(N)ccc3[n+]([O-])c2c1	28114039	YPXPBJFLLPWCCC-UHFFFAOYSA-N	225.251	1.912	5	1	BDBF	
O=[N+]([O-])c1ccc(NN/C=C2/C=CC=N2)cc1	13125136	YBVGPNIGAHRLBL-NTMALXAHSA-N	230.227	1.993	5	3	BDBF	
CC(=O)c1c(O)c2cc([N+](=O)[O-])ccc2oc1=O	1857746886	MPUAVUMOBFBLDR-UHFFFAOYSA-N	249.178	1.609	5	1	BDBF	
O=C(NCc1ccccc1)c1nc([N+](=O)[O-])c[nH]1	1857535434	FMJGFZVDPOHHDV-UHFFFAOYSA-N	246.226	1.248	5	1	BDBF	
O=C(O)c1nc2nc3ccccc3cc2c(=O)[nH]1	26645767	UHYQLALXNODRFC-UHFFFAOYSA-N	241.206	1.170	5	1	BDBF	
C[N+]1(C[18F])CCO[C@](O)(c2ccccc2)C1	101082756	WBLVUGNHIZMFJB-MAGDOEHUSA-N	225.274	1.236	5	1	BDBF	
CC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1	100040074	KUIRCUSOIOVBRV-JTQLQIEISA-N	206.201	1.520	5	1	BDBF	
COc1cc(CC[N+](C)(C)C)ccc1O	14488426	XVTYRRFKBXWKCY-UHFFFAOYSA-O	210.297	1.650	5	1	BDBF	
COc1ccc2[nH]c3c(cnn4nnnc34)c2c1	25981283	NXTXDULDEFVVBH-UHFFFAOYSA-N	240.226	1.162	5	1	BDBF	
NC(=O)c1cccc2nc3c(O)cccc3nc12	2356752897	CICBWSRPGNLNJE-UHFFFAOYSA-N	239.234	1.588	5	1	BDBF	
Cc1cc(C2=C[C@H]3CC[C@@H]2[N+]3(C)C)on1	73164525	UQICAXFERRCIPG-KOLCDFICSA-N	205.281	1.987	5	1	BDBF	
Nc1cc(O)nc2c([N+](=O)[O-])cccc12	299861518	IIOGLDQEBCRZIS-UHFFFAOYSA-N	205.173	1.431	5	1	BDBF	
CC(C)(C)[C@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587258431	BYTMCEPEZAPLKY-MRVPVSSYSA-N	249.274	1.912	5	1	BDBF	
CNc1nc2n(C)c3ccccc3cc-2c(=O)n1	29132030	DGTLYCXRLUHZDO-UHFFFAOYSA-N	240.266	1.475	5	1	BDBF	
O=C(C=Cc1ccccc1[N+](=O)[O-])N1N=N1	2356858100	MKTTVZJGVCRCGF-UHFFFAOYSA-N	218.172	1.732	5	1	BDBF	
CCCNC(=O)Nc1ncc([N+](=O)[O-])s1	1857602814	FSGWPSLYTDNGGS-UHFFFAOYSA-N	230.249	1.583	5	1	BDBF	
C[C@H](F)[C@@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587122582	FLVOIMLRAQXVJC-MHTLYPKNSA-N	239.210	1.224	5	1	BDBF	
O=c1c2ccc(F)cc2nc2ccccn12	584632190	MJJZERWJSIDIOV-UHFFFAOYSA-N	214.199	1.987	5	1	BDBF	
O=Cc1c[nH]c2c([N+](=O)[O-])cc3c[nH]nc3c12	96910263	OLPDPKOCOPCXSZ-UHFFFAOYSA-N	230.183	1.765	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[n+]([O-])c1n2CCCC1	35940348	YLTBUVRGSUJVOQ-UHFFFAOYSA-N	233.227	1.519	5	1	BDBF	
C[C@@H]1O[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1	586916975	JHQRKECTOGSINK-SSDLBLMSSA-N	219.200	1.931	5	1	BDBF	
[O-][n+]1c2cccc(O)c2nc2cccc(O)c21	14651203	OTVHGXNVYMIHFH-UHFFFAOYSA-N	228.207	1.433	5	1	BDBF	
[O-][n+]1c2ccccc2nc2cc(O)ccc21	238768804	XIUQUYFMIALDLU-UHFFFAOYSA-N	212.208	1.727	5	1	BDBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(N)=O	587647987	XCQNONNSXLLERH-UHFFFAOYSA-N	219.200	1.483	5	1	BDBF	
CC(=O)[C@H]1O[C@H]1c1ccc([N+](=O)[O-])cc1	169705253	IUGABSODIVQKKY-ZJUUUORDSA-N	207.185	1.624	5	1	BDBF	
O=C1Nc2cc([N+](=O)[O-])ccc2N2CCC[C@@H]12	28334881	LXCDUUMVADOAFC-JTQLQIEISA-N	233.227	1.516	5	1	BDBF	
C[N+]1(C)C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	101008123	QTCHKCVTZGJHQN-MNOVXSKESA-N	219.308	1.042	5	1	BDBF	
CCOC(=O)Cn1c([N+](=O)[O-])nc2ccccc21	28765094	RZNBHFFUTURNQJ-UHFFFAOYSA-N	249.226	1.508	5	1	BDBF	
O=C1CCc2nc3ccc([N+](=O)[O-])cc3n21	49793875	XHLHVXYJQDSURP-UHFFFAOYSA-N	217.184	1.531	5	1	BDBF	
Cc1oc2c([N+](=O)[O-])cccc2c1C(N)=O	169337804	CBYKXXKEUJGUHR-UHFFFAOYSA-N	220.184	1.748	5	1	BDBF	
C[N+]1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1	4773771	ZLCJQDLKZWJRLU-UHFFFAOYSA-N	236.295	1.491	5	1	BDBF	
COc1ccc(C(=O)NCC[N+](C)(C)C)cc1	199199251	DGYIQNIOIQENJA-UHFFFAOYSA-O	237.323	1.131	5	3	BDBF	
Cc1ccc(OC(=O)N(C)C)c([N+](=O)[O-])c1	103181903	LPACNGFMXCZCEJ-UHFFFAOYSA-N	224.216	1.964	5	1	BDBF	
CCC[N+](C)(C)C[C@@]1(C)COC(=O)N1Cl	71359433	IWAAGYNQFWFPHH-JTQLQIEISA-N	235.735	1.838	5	1	BDBF	
NC(=O)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	299825453	CSNTXEVBSHRBRQ-MRVPVSSYSA-N	228.635	1.186	5	1	BDBF	
Nc1nc2ccc3c(N)cccc3c2c(=O)[nH]1	13832418	AARQCGICUZZJNV-UHFFFAOYSA-N	226.239	1.241	5	1	BDBF	
C[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C	587189761	DWLTVBFFQCVQSJ-SSDOTTSWSA-N	249.274	1.359	5	1	BDBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(S)s1	34327777	VFZZCONONNINGC-UHFFFAOYSA-N	243.273	1.136	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)CN[C@H](CCCO)C2	28364226	KKNCDMOHQGALEG-LLVKDONJSA-N	236.271	1.382	5	1	BDBF	
COC(=O)c1ccc(CF)c([N+](=O)[O-])c1	2178320193	NMULGTNGGDERCY-UHFFFAOYSA-N	213.164	1.851	5	1	BDBF	
COC1=NO[C@@]2(C1)C[C@@H]1CC[C@H](C2)[N+]1(C)C	103043329	KTXVHZUCAJXWAS-PEGIJTEDSA-N	225.312	1.507	5	1	BDBF	
C[C@H](F)[C@H](N)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587125550	SGCORDAQDUSHEQ-FFWSUHOLSA-N	239.210	1.224	5	1	BDBF	
CN1CCCO[C@@H](c2ccc([N+](=O)[O-])cc2)O1	5542345	JLZJARRJINRZIC-LLVKDONJSA-N	238.243	1.877	5	1	BDBF	
C[N+]1(C)CC[C@@H](OCc2nccs2)C1	1772582441	MFGYBSGZIYVTHC-SECBINFHSA-N	213.326	1.508	5	1	BDBF	
NCCNc1ccnc2cc([N+](=O)[O-])ccc12	96928494	XYZTVTQSVMAIOP-UHFFFAOYSA-N	232.243	1.514	5	1	BDBF	
O=C(CC[N+](=O)[O-])OCCc1ccc(O)cc1	238739998	RFTGOLDMAQHAKU-UHFFFAOYSA-N	239.227	1.145	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1CNC[C@@H]2C1	101031179	AJJVWIGUUYROJX-YUMQZZPRSA-N	204.229	1.769	5	1	BDBF	
C[N+](C)(C)[C@H]1CCc2cccc(O)c2C1	1772593485	NLSHQWBJFSHJOV-NSHDSACASA-O	206.309	1.956	5	1	BDBF	
CC(C)(C)[C@H]1C[C@@H](C[N+](=O)[O-])CC(=O)O1	2356865490	BZPRIYNYTYRFCH-HTQZYQBOSA-N	215.249	1.631	5	1	BDBF	
O=C(O)CCC(=O)CCCCC[N+](=O)[O-]	87721975	VMALATOSUOUYIN-UHFFFAOYSA-N	217.221	1.257	5	1	BDBF	
O=[N+]([O-])c1cc2cn[nH]c2c2cc[nH]c12	96910261	VQRQHLSVAXRAAF-UHFFFAOYSA-N	202.173	1.952	5	1	BDBF	
COC(=O)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	299828585	NZSHMNCRWSHWIY-VIFPVBQESA-N	243.646	1.873	5	1	BDBF	
C[C@]12CCC(=O)N1c1cc([N+](=O)[O-])ccc1N2	5551835	QRKYNOPJDIGNSB-LLVKDONJSA-N	233.227	1.863	5	1	BDBF	
C[N@+]12CC[C@@H](C1)[C@]1(CC(Br)=NO1)C2	254121071	YKODYIQNJABODG-DXBFQKDVSA-N	246.128	1.334	5	1	BDBF	
C[N+]1(C)CCCC[C@H]1CN1CCCCC1=O	13554187	CGLXAXCGJGNUJX-LBPRGKRZSA-N	225.356	1.628	5	1	BDBF	
C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1	1911574007	GXXJMELVZDYTGV-KGLIPLIRSA-N	236.335	1.849	5	1	BDBF	
C[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C	587192483	UOEPINLCCMSZRO-QMMMGPOBSA-N	248.286	1.964	5	1	BDBF	
CCn1c(=N)ccc2c1nc1ccccc1[n+]2[O-]	101339083	NWUZSROQIGRFQB-UHFFFAOYSA-N	240.266	1.322	5	1	BDBF	
COc1cccc(C(=O)NCC[N+](C)(C)C)c1	199199272	DYQBVTLZTVUYDF-UHFFFAOYSA-O	237.323	1.131	5	3	BDBF	
C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C	45350480	BYUATYGHJAYLEQ-VHSXEESVSA-N	202.318	1.275	5	1	BDBF	
CC[N+](CC)(CC)C[C@H](O)CCC(=O)O	84385750	HLNHYDXQCJDPGW-SNVBAGLBSA-O	218.317	1.089	5	1	BDBF	
O=[N+]([O-])c1cc2nc(CCO)[nH]c2cc1Cl	586894459	GOMAKTGWEDKQAQ-UHFFFAOYSA-N	241.634	1.659	5	1	BDBF	
C[C@@H](O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	169705258	JJCCOSGFCNSZRR-BDODKLCJSA-N	209.201	1.416	5	1	BDBF	
CCOC(=O)[C@@H](C[N+](=O)[O-])c1ccc(C)cc1	299826960	IRZLRULJCAARBT-NSHDSACASA-N	237.255	1.918	5	1	BDBF	
O=[N+]([O-])C1=Cc2c(O)ccc(O)c2[C@H]2OC=C[C@H]12	1655853	LKSOGXZBRDWWSX-INWYIAFRSA-N	247.206	1.930	5	1	BDBF	
C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)CO1	1911577882	GXXJMELVZDYTGV-ZIAGYGMSSA-N	236.335	1.849	5	1	BDBF	
N[C@H]1CC[C@@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1	587246363	HFJQPQCUOGOGKD-BQBZGAKWSA-N	233.231	1.071	5	1	BDBF	
C[C@H](O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	169705256	JJCCOSGFCNSZRR-JMOVZRAMSA-N	209.201	1.416	5	1	BDBF	
O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@H]2CN3)cc1	28708953	OSOOEVXAUKIPDZ-LDYMZIIASA-N	219.244	1.145	5	1	BDBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cnccc2[nH]1	587274197	GUVSNBMJGLWIJB-UHFFFAOYSA-N	244.214	1.267	5	1	BDBF	
CN1CCC[C@H]1COc1cncc([N+](=O)[O-])c1	26569851	CYXFUNSRJZCZJC-VIFPVBQESA-N	237.259	1.463	5	1	BDBF	
N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCOC1	587248913	YURFWLYPOFNQAE-LLVKDONJSA-N	248.242	1.045	5	1	BDBF	
CCC(CC)[C@H](O)Cn1c([N+](=O)[O-])cnc1C	27638958	SYEXCCGBGMNCCB-SNVBAGLBSA-N	241.291	1.897	5	1	BDBF	
O=[N+]([O-])c1cncc2nc([C@@H]3CCOC3)[nH]c12	586913177	NVJFNRLXGICRQK-ZCFIWIBFSA-N	234.215	1.370	5	1	BDBF	
CCOC(=O)Cc1nc2cccc([N+](=O)[O-])c2[nH]1	587777784	XRIVIQGJKCZQME-UHFFFAOYSA-N	249.226	1.577	5	1	BDBF	
C[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C	587191603	NBBFOKYLGUETTI-SSDOTTSWSA-N	249.274	1.359	5	1	BDBF	
O=[N+]([O-])c1ccc2c(c1)C[C@@H]1CNC[C@@H]2C1	101024046	NTFKOQBZSNCLLA-WPRPVWTQSA-N	218.256	1.844	5	1	BDBF	
CC(C)(C)[C@@H]1C[C@@H](C[N+](=O)[O-])CC(=O)O1	2356865492	BZPRIYNYTYRFCH-SFYZADRCSA-N	215.249	1.631	5	1	BDBF	
C[N+](C)([O-])CCc1c[nH]c2ccc(O)cc12	13380105	UADOMBGQYQPICP-UHFFFAOYSA-N	220.272	1.990	5	1	BDBF	
C[N+]1(C)CCN(c2cccc([N+](=O)[O-])c2)CC1	13470068	RXYSOJWJYCDDHQ-UHFFFAOYSA-N	236.295	1.491	5	1	BDBF	
Cc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1	13832395	RSVSQKYNNIYRIO-UHFFFAOYSA-N	225.251	1.967	5	1	BDBF	
Cc1cccc2c1ccc1nc(N)[nH]c(=O)c12	13832402	DEMHXDKQZQKYCS-UHFFFAOYSA-N	225.251	1.967	5	1	BDBF	
O=[N+]([O-])c1cccc2c(CO)cc(O)nc12	1857633897	FZYROTFXQFYJMT-UHFFFAOYSA-N	220.184	1.341	5	1	BDBF	
C[C@@H](Cc1ccccc1)[N+](C)(C)CCO	27184673	VUKXOSYQZPRYMC-LBPRGKRZSA-N	208.325	1.686	5	1	BDBF	
O=NN1[C@H]2C[C@@H](O)[C@H]1c1ccc([N+](=O)[O-])cc12	102840923	LQCIICJFXVZPFE-IVZWLZJFSA-N	235.199	1.439	5	1	BDBF	
Cc1nc2ncnn2c2c1CC[N@+]2(C)C(C)(C)C	254133716	YNCWLOPJJAYTGV-SFHVURJKSA-N	246.338	1.724	5	1	BDBF	
O=[N+]([O-])C1=Cc2c(O)ccc(O)c2[C@H]2OC=C[C@@H]12	1655855	LKSOGXZBRDWWSX-QTTZVWFDSA-N	247.206	1.930	5	1	BDBF	
O=[N+]([O-])c1cccc2c1[C@@H]1CNC[C@H](C2)C1	28474570	QAOGJKYLKKJSNB-SCZZXKLOSA-N	218.256	1.844	5	1	BDBF	
O=c1[nH]cnc2c1sc1nc3ccccc3n12	13219026	GCPRYDQCUMYEBC-UHFFFAOYSA-N	242.263	1.786	5	1	BDBF	
O=NN1[C@@H]2C[C@@H](O)[C@H]1c1ccc([N+](=O)[O-])cc12	71296713	LQCIICJFXVZPFE-OPRDCNLKSA-N	235.199	1.439	5	1	BDBF	
O=[N+]([O-])c1ccc(N2C[C@H]3C[C@H](C2)N3)cc1	101227572	PXAFGZLHQCJYKN-RKDXNWHRSA-N	219.244	1.145	5	1	BDBF	
Cc1cc2[nH]c([C@H]3CC[C@@H]3N)nc2cc1[N+](=O)[O-]	587246833	PHZNWECKAVGCDT-YUMQZZPRSA-N	246.270	1.984	5	1	BDBF	
CCC[N+](C)(C)CCOc1cccnc1	13537752	FXARSCWHJBITRV-UHFFFAOYSA-N	209.313	1.947	5	1	BDBF	
CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C	45348350	LSXQHQNFAPHROZ-SNVBAGLBSA-N	216.345	1.665	5	1	BDBF	
Nc1c(CCC(=O)O)[nH]c2cc([N+](=O)[O-])ccc12	587647926	TXKUYYYFTOIACW-UHFFFAOYSA-N	249.226	1.676	5	1	BDBF	
C[n+]1c2ccccc2nc2cc(O)ccc21	238754338	UHWGSGNYBWYHRX-UHFFFAOYSA-O	211.244	1.918	5	1	BDBF	
O=c1c2cc([N+](=O)[O-])ccc2n2n1CCCC2	1645555	UUSHTPIHVYIWFI-UHFFFAOYSA-N	233.227	1.505	5	1	BDBF	
CCC[N+](C)(C)C[C@]1(C)COC(=O)N1Cl	71359431	IWAAGYNQFWFPHH-SNVBAGLBSA-N	235.735	1.838	5	1	BDBF	
C[C@@]12CCC(=O)N1c1cc([N+](=O)[O-])ccc1N2	5551172	QRKYNOPJDIGNSB-NSHDSACASA-N	233.227	1.863	5	1	BDBF	
O=[N+]([O-])c1cccc2nccc(NCCCO)c12	1626109	SDKLIPKUBQAFDK-UHFFFAOYSA-N	247.254	1.937	5	1	BDBF	
Cc1oc2c(c(=O)c1C)[C@@H]1CC[C@H](C2)[N+]1(C)[O-]	13431893	OYQKLYCRWTWWGW-GYJNLRRWSA-N	235.283	1.961	5	1	BDBF	
C[C@H]1NN=C(c2ccccc2)[C@H]1[N+](=O)[O-]	28455378	QNIRAONBUFOMEN-XCBNKYQSSA-N	205.217	1.028	5	1	BDBF	
C[C@H](F)[C@H](N)c1nc2cncc([N+](=O)[O-])c2[nH]1	587122581	FLVOIMLRAQXVJC-FFWSUHOLSA-N	239.210	1.224	5	1	BDBF	
CC1(C)N(O)c2cc([N+](=O)[O-])ccc2[N+]1=O	15952660	JSFIFBGOWSHHJI-UHFFFAOYSA-N	224.196	1.951	5	3	BDBF	
COc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	3958428	LZBCSKBUODEAFX-UHFFFAOYSA-N	234.211	1.455	5	1	BDBF	
CC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])cc1	142409279	IUGABSODIVQKKY-NXEZZACHSA-N	207.185	1.624	5	1	BDBF