smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1ccc([C@@H](O)P(=O)(O)O)cc1	26261093	VRWVZOORCVEXCS-ZETCQYMHSA-N	233.116	0.763	5	1	BCBF	
O=C(O)c1cc([N+](=O)[O-])cc2c1nnn2O	12486030	VGNLYDXVPJBESX-UHFFFAOYSA-N	224.132	0.275	5	3	BCBF	
C[C@H]([C@H](O)c1cnc([N+](=O)[O-])n1C)[N+](=O)[O-]	169324527	CRTLTVCCPVCIJI-XINAWCOVSA-N	230.180	0.027	5	1	BCBF	
C[N+]1(C)[C@H]2CC[C@@H]1C[C@]1(CC(CO)=NO1)C2	103040811	JBWCULUTJOKQIF-ZSBIGDGJSA-N	225.312	0.895	5	1	BCBF	
CO[C@@H]1C[C@](C)([N+](=O)[O-])[C@@H](O)[C@@H](C)O1	14959115	IPERGVQHDOMEEJ-KVPKETBZSA-N	205.210	0.164	5	1	BCBF	
COCCOCCOC[C@H]1CCC[N+]1(C)C	6519761	LYEMJXXVZNOFIF-GFCCVEGCSA-N	232.344	0.905	5	1	BCBF	
C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@]1=O	13683902	DAXFFIHSDRDSKA-LFNDISMMSA-N	218.342	0.719	5	1	BCBF	
O=[N+]([O-])c1cc([C@@H](O)P(=O)(O)O)ccc1O	26276602	NXGRJZFETBNEJE-ZETCQYMHSA-N	249.115	0.469	5	1	BCBF	
Cc1nn(CC[C@H](N)N=O)c(C)c1[N+](=O)[O-]	957884701	GBKMBNCAZCQHEB-SSDOTTSWSA-N	227.224	0.849	5	1	BCBF	
Cc1nn(C[C@H](N)N=O)c(C)c1[N+](=O)[O-]	957884712	USGAPLXGGJEKLM-ZCFIWIBFSA-N	213.197	0.459	5	1	BCBF	
C[C@@H](COCN1C=CN(C)C1=CN=O)[N+](=O)[O-]	1857535423	XCBOERRZCNXGSD-QMMMGPOBSA-N	242.235	0.910	5	1	BCBF	
C[C@@H](COCN1C=CN(C)/C1=C\N=O)[N+](=O)[O-]	209135449	XCBOERRZCNXGSD-MOIHINDBSA-N	242.235	0.910	5	1	BCBF	
NC(=O)c1cc([N+](=O)[O-])cc2c1OCC2	169348778	GAMSIIYRKBPBNJ-UHFFFAOYSA-N	208.173	0.629	5	1	BCBF	
CO[C@H]1C[C@@](C)([N+](=O)[O-])[C@@H](O)[C@@H](C)O1	14959112	IPERGVQHDOMEEJ-OOJXKGFFSA-N	205.210	0.164	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)nc(O)c1nncn12	7118	FVFLTKFYZGANTI-UHFFFAOYSA-N	231.171	0.891	5	1	BCBF	
CO[C@H]1C[C@](C)([N+](=O)[O-])[C@@H](O)[C@@H](C)O1	6005963	IPERGVQHDOMEEJ-NGJRWZKOSA-N	205.210	0.164	5	1	BCBF	
O=c1[nH]c2cc(F)c(F)c([N+](=O)[O-])c2nc1O	13743977	GIUQZJDZWWLXJA-UHFFFAOYSA-N	243.125	0.815	5	1	BCBF	
CCCC(=O)N[C@H](CC(=O)O)C[N+](C)(C)C	13437777	MDQFAQCGXKCBSD-SECBINFHSA-O	231.316	0.452	5	1	BCBF	
Cc1cccc(P(=O)(O)O)c1[N+](=O)[O-]	26731377	DLQIBCCFOWABRT-UHFFFAOYSA-N	217.117	0.706	5	1	BCBF	
CN1CNS(=O)(=O)c2cc([N+](=O)[O-])ccc21	28656215	KXSDYOQJHJXWHO-UHFFFAOYSA-N	243.244	0.280	5	1	BCBF	
CC(C)([C@H](O)Cn1ccnc1[N+](=O)[O-])N1CC1	27181316	AVMORFZLEXYPHX-MRVPVSSYSA-N	240.263	0.246	5	1	BCBF	
O=[N+]([O-])C[C@]12O[C@@]3(O)[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42	169290516	LOEIDFUDZVQDTE-YVYIJRFMSA-N	235.239	0.108	5	1	BCBF	
CN1C=CN(COCCC[N+](=O)[O-])/C1=C/N=O	209141286	UUYPQTGLXRSSCM-VQHVLOKHSA-N	242.235	0.911	5	1	BCBF	
O=[N+]([O-])c1cc([C@@H](O)P(=O)(O)O)cs1	26289929	GYZCVXRKJKVUFF-YFKPBYRVSA-N	239.145	0.825	5	1	BCBF	
C[C@H](O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	586889680	GPJWALUVKJHZSJ-YFKPBYRVSA-N	222.204	0.789	5	1	BCBF	
N=C1NC[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=N)N1	13757826	OGHQRQWHTPXPFU-MRVPVSSYSA-N	247.258	0.858	5	1	BCBF	
Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C(N)=O	49110825	SJEBLQKZLGMHSW-UHFFFAOYSA-N	248.198	0.540	5	1	BCBF	
C[N+]1(C)CCN(C(=O)C(F)(F)F)CC1	27641253	FUPARMURUCEUOZ-UHFFFAOYSA-N	211.207	0.467	5	1	BCBF	
C[C@](O)(c1cccc([N+](=O)[O-])c1)P(=O)(O)O	26261771	DTWBIHHOWNEDMV-MRVPVSSYSA-N	247.143	0.938	5	1	BCBF	
CN1C=CN(CCn2cncc2[N+](=O)[O-])C=C1	100941756	WWNMMPUIJCTGDI-UHFFFAOYSA-N	235.247	0.981	5	1	BCBF	
CNC(=O)OCc1cnc([N+](=O)[O-])n1C	13215972	XRSCTFILGIZFCW-UHFFFAOYSA-N	214.181	0.184	5	1	BCBF	
C[C@@H](COCN1C=CN(C)/C1=C/N=O)[N+](=O)[O-]	148128594	XCBOERRZCNXGSD-HXOPTJOXSA-N	242.235	0.910	5	1	BCBF	
C[C@@H]([C@@H](O)c1cnc([N+](=O)[O-])n1C)[N+](=O)[O-]	169324522	CRTLTVCCPVCIJI-UJURSFKZSA-N	230.180	0.027	5	1	BCBF	
N[C@H]1CO[C@@H](c2cccc([N+](=O)[O-])c2)OC1	101431443	DGHNYURNAMCRBC-CZMCAQCFSA-N	224.216	0.968	5	1	BCBF	
C=C(NC(C)=O)c1nc2cncc([N+](=O)[O-])c2[nH]1	587202650	FYOZWOVQOVOFTO-UHFFFAOYSA-N	247.214	0.973	5	1	BCBF	
Cc1nn(CC[C@@H](N)N=O)c(C)c1[N+](=O)[O-]	957884702	GBKMBNCAZCQHEB-ZETCQYMHSA-N	227.224	0.849	5	1	BCBF	
NNC1=C2N=c3ccc([N+](=O)[O-])cc3=C2CCC1	13126634	BALQEEKCEOYCHV-UHFFFAOYSA-N	244.254	0.238	5	3	BCBF	
O=C(C[C@H](O)C(=O)O)c1cccc([N+](=O)[O-])c1	26738066	MFKHAHSCNOLEFR-VIFPVBQESA-N	239.183	0.613	5	1	BCBF	
NC(=O)c1nc([N+](=O)[O-])cn1Cc1ccccn1	1772623306	JQWMTZIVDGVOJD-UHFFFAOYSA-N	247.214	0.334	5	1	BCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2ncc[nH]c-2n1	587275147	WRAGXZFGJWRWOK-UHFFFAOYSA-N	245.202	0.613	5	1	BCBF	
C[C@@H](C[N+](=O)[O-])OCN1C=CN(C)/C1=C/N=O	148129491	CPPUGZBXSZVOAH-HXOPTJOXSA-N	242.235	0.910	5	1	BCBF	
C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)C[S@@]1=O	13683872	DAXFFIHSDRDSKA-DLVJRCHESA-N	218.342	0.719	5	1	BCBF	
C[C@H](CN1C=CN(C)C1=CN=O)[N+](=O)[O-]	1857621920	CKSVQHIKDVCZPI-SSDOTTSWSA-N	212.209	0.936	5	1	BCBF	
CO[C@@H]1C[C@](C)([N+](=O)[O-])[C@H](O)[C@@H](C)O1	36448701	IPERGVQHDOMEEJ-CWKFCGSDSA-N	205.210	0.164	5	1	BCBF	
O=[N+]([O-])c1cccc2c1O[C@@H](C1=NCCN1)CO2	27980131	CYTYQORQNGLNBM-SECBINFHSA-N	249.226	0.736	5	1	BCBF	
C[N+]12CCC(CC1)[C@H](c1nc(N)no1)C2	40466583	ODQCFEYFDRBIIB-ZLJRZNNWSA-N	209.273	0.606	5	1	BCBF	
O=C(O)c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1	141174761	NGGHQIQUJVGJER-UHFFFAOYSA-N	235.155	0.530	5	1	BCBF	
O=c1[nH]c2cc3c(c([N+](=O)[O-])c2[nH]c1=O)CCC3	13761195	PGGMADFPEZJSMA-UHFFFAOYSA-N	247.210	0.613	5	1	BCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cncnc2[nH]1	587273511	DDRWRCNORHCLIN-UHFFFAOYSA-N	245.202	0.662	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)CCN2c1nnn[nH]1	27977418	BETYRBOTJQOGPL-UHFFFAOYSA-N	232.203	0.802	5	1	BCBF	
C[N+](C)(C)CCN1C(=O)c2ccccc2C1=O	39298360	HIRINICXCIVFTP-UHFFFAOYSA-N	233.291	0.989	5	3	BCBF	
O=[N+]([O-])c1ccnn1Cc1cn(CC[18F])nn1	103071435	PARVTUSNRQUMRC-RVRFMXCPSA-N	239.201	0.401	5	1	BCBF	
C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O	13683914	DAXFFIHSDRDSKA-YCWTYVPXSA-N	218.342	0.719	5	1	BCBF	
O=[N+]([O-])c1ccc(O)c([C@H](O)P(=O)(O)O)c1	26271412	QHBCOTVMMRNCSO-SSDOTTSWSA-N	249.115	0.469	5	1	BCBF	
C[C@@H](C[N+](=O)[O-])OCN1C=CN(C)C1=CN=O	1857535501	CPPUGZBXSZVOAH-QMMMGPOBSA-N	242.235	0.910	5	1	BCBF	
O=[N+]([O-])c1nccn1Cc1cn(CC[18F])nn1	103073988	REDNYVMNIXZUDI-RVRFMXCPSA-N	239.201	0.401	5	1	BCBF	
C[C@H]1C[N@@]1P1(=O)OCC(C)([N+](=O)[O-])CO1	1857623000	HRHDTUXTJNZJNC-PSUYYAKFSA-N	236.164	0.881	5	1	BCBF	
O=C(O)Cn1ccc(=O)c2c([N+](=O)[O-])cccc21	1626385	HDYWKCUUOUKTOQ-UHFFFAOYSA-N	248.194	0.994	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)OC[C@@H](C1=NCCN1)O2	27980144	CJBBGBIPJSJTBS-JTQLQIEISA-N	249.226	0.736	5	1	BCBF	
O=[N+]([O-])c1cccc([C@H](O)P(=O)(O)O)c1	26270986	ZSQNLGQLRKSHDB-SSDOTTSWSA-N	233.116	0.763	5	1	BCBF	
C[C@H]1[C@@H](C)N1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	5115990	VKUQQJFQNDTATQ-LBXNUOQPSA-N	240.263	0.245	5	3	BCBF	
C[C@H](COCN1C=CN(C)/C1=C/N=O)[N+](=O)[O-]	148128779	XCBOERRZCNXGSD-CPJBWDMUSA-N	242.235	0.910	5	1	BCBF	
O=c1cc(O)c2cc([N+](=O)[O-])ccc2[nH]c1=O	13760361	QIUGYFFOPLNZSP-UHFFFAOYSA-N	234.167	0.502	5	1	BCBF	in-vivo
O=c1c2cc([N+](=O)[O-])ccc2n2n1CCOCC2	40846270	SHWFCQCIKZHSQF-UHFFFAOYSA-N	249.226	0.741	5	1	BCBF	
CN1C=CN(CC[N+](C)(C)C)/C1=C\N=O	148145619	ANTZMHGJHNIQSP-KTKRTIGZSA-N	211.289	0.977	5	1	BCBF	
O=c1c[n+](-c2ccc(Cl)c([N+](=O)[O-])c2)[nH]o1	6525295	NJSTWYWKRNSLNW-UHFFFAOYSA-O	242.598	0.806	5	1	BCBF	
C[C@@H]1NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	144298641	CCNQHAGZHNMDTE-YFKPBYRVSA-N	228.229	0.948	5	3	BCBF	
O=C(O)CCCCNC(=O)CC[N+](=O)[O-]	87721978	OAHRFVDIJCAZGY-UHFFFAOYSA-N	218.209	0.024	5	1	BCBF	
C[C@@H](CN1C=CN(C)/C1=C/N=O)[N+](=O)[O-]	148142504	CKSVQHIKDVCZPI-BJMRUTCWSA-N	212.209	0.936	5	1	BCBF	
CCCC(=O)N[C@@H](CC(=O)O)C[N+](C)(C)C	13437774	MDQFAQCGXKCBSD-VIFPVBQESA-O	231.316	0.452	5	1	BCBF	
Cn1c(=O)nc2oc3ccccc3cc-2c1=O	39281135	OUKQVTIAGSETEF-UHFFFAOYSA-N	228.207	0.992	5	1	BCBF	
COc1nc(C)cn2cc([N+](=O)[O-])nc12	1857581770	ZYQJFPLGHFWZIB-UHFFFAOYSA-N	208.177	0.955	5	1	BCBF	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccn1	1626202	ONDDBKOZEWMLFO-UHFFFAOYSA-N	238.247	0.281	5	1	BCBF	
COCCOCCOC[C@@H]1CCC[N+]1(C)C	6519775	LYEMJXXVZNOFIF-LBPRGKRZSA-N	232.344	0.905	5	1	BCBF	
NC(=O)c1n[nH]nc1Nc1ccccc1[N+](=O)[O-]	34484102	JQHJVZJDQZMKMT-UHFFFAOYSA-N	248.202	0.555	5	1	BCBF	
CC(C)([C@@H](O)Cn1ccnc1[N+](=O)[O-])N1CC1	27181309	AVMORFZLEXYPHX-QMMMGPOBSA-N	240.263	0.246	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)OC[C@H](C1=NCCN1)O2	27980137	CJBBGBIPJSJTBS-SNVBAGLBSA-N	249.226	0.736	5	1	BCBF	
O=[N+]([O-])c1cncc2nc(CCO)[nH]c12	586894923	YRONARLKEPUPMA-UHFFFAOYSA-N	208.177	0.401	5	1	BCBF	
NC(=O)NC(=O)Nc1ccc([N+](=O)[O-])cc1	4156156	KLJCRJWAVYTVFG-UHFFFAOYSA-N	224.176	0.795	5	1	BCBF	
NC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]c1=O	13745429	GXCFKFANOICKQU-UHFFFAOYSA-N	233.183	0.535	5	1	BCBF	
CN1C(=O)N(Cl)[C@](C)(C[N+](C)(C)C)C1=O	69058884	FICIOZBBNIRYKY-SECBINFHSA-N	234.707	0.499	5	1	BCBF	
CN1C=CN(CC[N+](C)(C)C)/C1=C/N=O	209141891	ANTZMHGJHNIQSP-MDZDMXLPSA-N	211.289	0.977	5	1	BCBF	
C[N+]1(CCOCCOCCN)CCCC1	28639225	WUSBZIGDRYAHLC-UHFFFAOYSA-N	217.333	0.219	5	1	BCBF	
Nc1cc(N)c2c(ccc3nc(N)[nH]c(=O)c32)c1	13832421	NWHTXSNOSOFHQE-UHFFFAOYSA-N	241.254	0.823	5	1	BCBF	
N[C@H]1C[C@@H](N)C[C@@H]1Oc1ccccc1[N+](=O)[O-]	35823911	JIXLWDUVUORUER-FYBVGQRMSA-N	237.259	0.791	5	1	BCBF	
COCCOC(=O)N1CC[N+](C)(C)CC1	71280999	QNPRVIWDOWJWMV-UHFFFAOYSA-N	217.289	0.161	5	1	BCBF	
O=[N+]([O-])c1cc2n[nH]nc2c2nonc12	6499842	UPBSKJLZVLKIQT-UHFFFAOYSA-N	206.121	0.402	5	1	BCBF	
C[N+]12CCC(CC1)[C@@H](c1nc(N)no1)C2	40466585	ODQCFEYFDRBIIB-PSVZYIBISA-N	209.273	0.606	5	1	BCBF	
CO[C@@H]1C[C@](C)([N+](=O)[O-])[C@H](O)[C@H](C)O1	254143493	IPERGVQHDOMEEJ-HSNKUXOKSA-N	205.210	0.164	5	1	BCBF	
O=c1[nH]cc(Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	13743510	BYMQTBCOJXZMED-UHFFFAOYSA-N	247.210	0.562	5	1	BCBF	
C[N+]1(C)CCN([P@]2(=O)NCCCO2)CC1	40565602	NZMOIYSUFAOJKF-HNNXBMFYSA-N	234.260	0.496	5	1	BCBF	
CC[N+](C)(CC)C[C@@H](O)CCC(=O)O	84385737	KDMIKVKFDGAPNT-VIFPVBQESA-O	204.290	0.699	5	1	BCBF	
C[C@H](C[N+](=O)[O-])OCN1C=CN(C)/C1=C\N=O	209135824	CPPUGZBXSZVOAH-CBVZUMJXSA-N	242.235	0.910	5	1	BCBF	
N[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C1COC1	587256785	LSBKGMFUIMDMJB-MRVPVSSYSA-N	249.230	0.512	5	1	BCBF	
O=[N+]([O-])c1ccc(N2CC[C@H]3CN[C@H]3C2)cn1	35080260	OBAMBLJKDDEQNH-WPRPVWTQSA-N	234.259	0.788	5	1	BCBF	
O=[N+]([O-])c1ccnn1Cc1cn(CCF)nn1	95576141	PARVTUSNRQUMRC-UHFFFAOYSA-N	240.198	0.401	5	1	BCBF	
CC[N+](C)(CC)C[C@H](O)CCC(=O)O	84385736	KDMIKVKFDGAPNT-SECBINFHSA-O	204.290	0.699	5	1	BCBF	
O=c1nc2oc3cc(O)ccc3cc-2c(=O)[nH]1	110332680	CWOYVKYCEQPUSV-UHFFFAOYSA-N	230.179	0.687	5	1	BCBF	
C[C@H](C[N+](=O)[O-])OCN1C=CN(C)C1=CN=O	1857535499	CPPUGZBXSZVOAH-MRVPVSSYSA-N	242.235	0.910	5	1	BCBF	
O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]2CN3)cn1	100068330	PJZJKCSPIJZHHP-IONNQARKSA-N	220.232	0.540	5	1	BCBF	
O=C(c1ccc([N+](=O)[O-])cc1)[PH](O)(O)O	169721723	IOTDROAESVCQTM-UHFFFAOYSA-N	233.116	0.207	5	1	BCBF	
NC(=O)c1nc([N+](=O)[O-])cn1CC1CC1	1772649009	KGULQTWSVBLRNU-UHFFFAOYSA-N	210.193	0.300	5	1	BCBF	
O=[N+]([O-])OC[C@@H](Cc1ccc(O)cc1)[N+](=O)[O-]	38143406	GUNBYSUWZKSKST-MRVPVSSYSA-N	242.187	0.788	5	1	BCBF	
NC(=O)[C@@H](Cc1ccccc1)C[N+](=O)[O-]	169321266	JJVMCABGSUOHSC-VIFPVBQESA-N	208.217	0.607	5	1	BCBF	
NC(=O)c1cc(N2CC2)ccc1[N+](=O)[O-]	26983449	MQDHAZGQZWYFBP-UHFFFAOYSA-N	207.189	0.514	5	1	BCBF	
COCCOCCOCC[N+]1(C)CCCC1	6519723	KCAISQRZFPTKMH-UHFFFAOYSA-N	232.344	0.906	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)[n+]([O-])c1n2CCOC1	35962921	IGERDINDHAHNOO-UHFFFAOYSA-N	235.199	0.713	5	1	BCBF	
Cc1nn(C[C@@H](N)N=O)c(C)c1[N+](=O)[O-]	957884711	USGAPLXGGJEKLM-LURJTMIESA-N	213.197	0.459	5	1	BCBF	
C[C@@H](C[N+](=O)[O-])OCN1C=CN(C)/C1=C\N=O	209135788	CPPUGZBXSZVOAH-MOIHINDBSA-N	242.235	0.910	5	1	BCBF	
N#[N+]Nc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	169720736	UXLCNCKSJOCXMA-UHFFFAOYSA-O	249.166	0.305	5	1	BCBF	
C[C@H]([C@@H](O)c1cnc([N+](=O)[O-])n1C)[N+](=O)[O-]	169324524	CRTLTVCCPVCIJI-INEUFUBQSA-N	230.180	0.027	5	1	BCBF	
O=[N+]([O-])C[C@H](O)c1ccc([N+](=O)[O-])cc1	8689802	IBGLUMJSLYZZRX-QMMMGPOBSA-N	212.161	0.905	5	1	BCBF	
O=c1c2cc([N+](=O)[O-])ccc2nc(O)n1O	1772643384	RPFQPAPSPUFVQS-UHFFFAOYSA-N	223.144	0.248	5	1	BCBF	
C[N+](C)(C)CCCNCCCC[C@H](N)C(=O)O	238766839	HDWBAPUGLGDJRY-NSHDSACASA-O	246.375	0.255	5	1	BCBF	
O=[N+]([O-])c1ccc(-c2nnn(CCO)n2)cc1	13744472	MYWJKHGQIKXSQY-UHFFFAOYSA-N	235.203	0.241	5	1	BCBF	
CN1C=CN(COCC[N+](=O)[O-])/C1=C/N=O	209126305	RFBVHIUWLDENGL-SOFGYWHQSA-N	228.208	0.521	5	1	BCBF	
O=[N+]([O-])c1cc(N[C@H]2CCNC2)ccc1CO	1857657038	YHYBEVXDNKAVFH-JTQLQIEISA-N	237.259	0.861	5	1	BCBF	
CON1C(=O)C(=O)N1c1ccc([N+](=O)[O-])cc1	103244429	XRDJZKUUXRIHSN-UHFFFAOYSA-N	237.171	0.246	5	1	BCBF	
N[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)OC1	101965758	KITRMISGIRRUFX-CZMCAQCFSA-N	224.216	0.968	5	1	BCBF	
O=[N+]([O-])c1ncn([C@H]2CN3CC[C@H]2C3)n1	13725112	CYGHZXZEJDVLKK-BQBZGAKWSA-N	209.209	0.063	5	1	BCBF	
O=[N+]([O-])C[C@@]12O[C@]3(O)[C@H]4[C@H]5C[C@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42	195525445	LOEIDFUDZVQDTE-CGHWFEIYSA-N	235.239	0.108	5	1	BCBF	
COCCOC(=O)NCC[N+](C)(C)C	71281305	XMXJUVPFDQDEIR-UHFFFAOYSA-O	205.278	0.065	5	1	BCBF	
O=[N+]([O-])C[C@]12O[C@]3(O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12	195525446	LOEIDFUDZVQDTE-XOWRVXPYSA-N	235.239	0.108	5	1	BCBF	
C[C@@H]1C[N@]1P1(=O)OCC(C)([N+](=O)[O-])CO1	1857622998	HRHDTUXTJNZJNC-LVXICRCQSA-N	236.164	0.881	5	1	BCBF	
COc1ccc([N+](=O)[O-])c2nc[nH]c(=O)c12	40897558	PUSCEDGMZSHSHY-UHFFFAOYSA-N	221.172	0.840	5	1	BCBF	
C[C@H]1C[N@]1P1(=O)OCC(C)([N+](=O)[O-])CO1	1857623001	HRHDTUXTJNZJNC-WSVYQHSLSA-N	236.164	0.881	5	1	BCBF	
COc1nc(C=O)c([N+](=O)[O-])c(N(C)C)n1	27855915	KTCSGGLYONRKMY-UHFFFAOYSA-N	226.192	0.272	5	1	BCBF	
O=C(c1nc([N+](=O)[O-])c[nH]1)N1CCCC1	1772571475	QKTITHDFFQNINQ-UHFFFAOYSA-N	210.193	0.554	5	1	BCBF	
O=C(NCc1ccccn1)c1nc([N+](=O)[O-])c[nH]1	1772649556	APDKDYNDFHKUBN-UHFFFAOYSA-N	247.214	0.643	5	1	BCBF	
O=c1oc2cc3oc(=O)c(O)nc3cc2nc1O	26641858	SFARPBRQFSUFBA-UHFFFAOYSA-N	248.150	0.101	5	1	BCBF	
COC(=O)Cc1cc(O)cc([N+](=O)[O-])c1O	13335566	NBFISYVVWKCRKR-UHFFFAOYSA-N	227.172	0.722	5	1	BCBF	
O=C(C[C@@H](O)C(=O)O)c1cccc([N+](=O)[O-])c1	26738073	MFKHAHSCNOLEFR-SECBINFHSA-N	239.183	0.613	5	1	BCBF	
CC1(C)OC[C@H](C[N+](C)(C)CCO)O1	29480818	FNWDFZULLVCZCE-VIFPVBQESA-N	204.290	0.207	5	1	BCBF	
C[C@H](CN1C=CN(C)/C1=C\N=O)[N+](=O)[O-]	209140594	CKSVQHIKDVCZPI-KBUNYLKBSA-N	212.209	0.936	5	1	BCBF	
N[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCOC1	587248775	VZEDQCAGJSMKRV-JTQLQIEISA-N	249.230	0.440	5	1	BCBF	
O=[N+]([O-])c1ccc(O)c([C@@H](O)P(=O)(O)O)c1	26271418	QHBCOTVMMRNCSO-ZETCQYMHSA-N	249.115	0.469	5	1	BCBF	
O=[N+]([O-])c1ccc(N2CC[C@@H]3CN[C@@H]3C2)cn1	35080301	OBAMBLJKDDEQNH-PSASIEDQSA-N	234.259	0.788	5	1	BCBF	
O=C1CN=C(C[N+](=O)[O-])c2ccccc21	102986923	SCNJPAZUCVRFKQ-UHFFFAOYSA-N	204.185	0.949	5	1	BCBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(N)cc2)C1	13605053	XPQIRNBONHURTF-GFCCVEGCSA-N	223.296	0.521	5	1	BCBF	
C=CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	34595211	YUCNWOKTRWJLGY-QMMMGPOBSA-O	216.257	0.265	5	1	BCBF	endogenous,in-man
[O-][n+]1c2ccccc2[n+]([O-])c2c(O)cccc21	5664808	PSKNAVYZFQCMQE-UHFFFAOYSA-N	228.207	0.965	5	1	BCBF	
O=[N+]([O-])C[C@@]12O[C@]3(O)[C@@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42	299815496	LOEIDFUDZVQDTE-VFQARKRPSA-N	235.239	0.108	5	1	BCBF	
NC(=O)c1ncc([N+](=O)[O-])n1Cc1ccccn1	1772575318	SAOSZYUMBLQLLK-UHFFFAOYSA-N	247.214	0.334	5	1	BCBF	
O=C(c1cccc([N+](=O)[O-])c1)[PH](O)(O)O	169721722	APBUZXVPDGYVSA-UHFFFAOYSA-N	233.116	0.207	5	1	BCBF	
C[C@@H](CN1C=CN(C)/C1=C\N=O)[N+](=O)[O-]	209140561	CKSVQHIKDVCZPI-QAZRXNLGSA-N	212.209	0.936	5	1	BCBF	
O=[N+]([O-])C[C@]12O[C@]3(O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@H]1[C@H]2[C@H]3[C@H]51	299815494	LOEIDFUDZVQDTE-LMOQYUSOSA-N	235.239	0.108	5	1	BCBF	
Cc1nc(-c2nnc(N)s2)n(C)c1[N+](=O)[O-]	100915597	YGWYBFFYVFZABH-UHFFFAOYSA-N	240.248	0.737	5	1	BCBF	
C=C(NC(C)=O)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587202656	FYWVURAOOPMKOZ-UHFFFAOYSA-N	247.214	0.973	5	1	BCBF	
Cn1c(=N)ccc2c1nc1ccccc1[n+]2[O-]	101352045	BQWOFZJPSRXFCQ-UHFFFAOYSA-N	226.239	0.839	5	1	BCBF	
C[N+](C)([BH2-]C#N)C[C@H](O)c1ccccc1	195157074	MLKAUBZFIMXGFD-NSHDSACASA-N	204.082	0.361	5	1	BCBF	
CN1C=CN(COCCC[N+](=O)[O-])/C1=C\N=O	148144827	UUYPQTGLXRSSCM-CLFYSBASSA-N	242.235	0.911	5	1	BCBF	
CO[C@H]1[C@@H](C)O[C@@H](O)C[C@@]1(C)[N+](=O)[O-]	14688715	GKZOPUJKVPZFRV-OOJXKGFFSA-N	205.210	0.164	5	1	BCBF	
O=[N+]([O-])c1cnc2nc(C(F)(F)F)nn2c1O	12428243	POBHIONCLCEDTP-UHFFFAOYSA-N	249.108	0.757	5	1	BCBF	
COc1nsnc1OCC[N+](C)(C)C	103261334	PNPVHPJDVGLEKC-UHFFFAOYSA-N	218.302	0.632	5	1	BCBF	
C1CC[N+]2(C1)CCN(CCC1OCCO1)CC2	29325594	GJQQIYHYPINSRX-UHFFFAOYSA-N	241.355	0.676	5	1	BCBF	
Cn1c(C(C)(C)OC(N)=O)cnc1[N+](=O)[O-]	33855159	YEOINLJRAMOZNV-UHFFFAOYSA-N	228.208	0.659	5	1	BCBF	
O=C1NCCN(c2cccc([N+](=O)[O-])c2)N1	13759045	FYBOWMYYBNAGMU-UHFFFAOYSA-N	222.204	0.629	5	1	BCBF	
CN(C)[N+](=O)NOc1ccc([N+](=O)[O-])cn1	377795130	CODFOHADARLKDJ-UHFFFAOYSA-N	228.188	0.044	5	1	BCBF	
C[C@@H](O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	586889653	GPJWALUVKJHZSJ-RXMQYKEDSA-N	222.204	0.789	5	1	BCBF	
O=[N+]([O-])c1cc[n+]([O-])c(NCCc2c[nH]cn2)c1	13743055	SVBMUGCXEUPWNB-UHFFFAOYSA-N	249.230	0.606	5	1	BCBF	
CN(C)C(=O)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	587197358	NSOJJHAFCVYAGA-UHFFFAOYSA-N	249.230	0.497	5	1	BCBF	
NC(=O)c1ncc([N+](=O)[O-])n1CC1CC1	1772573215	YGBBJHPTUIBPOQ-UHFFFAOYSA-N	210.193	0.300	5	1	BCBF	
O=[N+]([O-])C1=CN=C2NC(c3ccco3)=NN2C1	1911586786	SNXSICUVFPRREX-UHFFFAOYSA-N	233.187	0.334	5	1	BCBF	
CN(O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	29312408	XPQZSGJSIHGCMD-UHFFFAOYSA-N	232.217	0.605	5	1	BCBF	
Cn1nc([N+](=O)[O-])cc1-c1nc2cnncc2[nH]1	587274203	GYNFGLKRRGDQFA-UHFFFAOYSA-N	245.202	0.662	5	1	BCBF	
C[C@H](CN1C=CN(C)/C1=C/N=O)[N+](=O)[O-]	148142734	CKSVQHIKDVCZPI-BESBCXERSA-N	212.209	0.936	5	1	BCBF	
C[C@H]1[C@@H](C)[N@@]1C[C@H](O)Cn1ccnc1[N+](=O)[O-]	1857567598	VKUQQJFQNDTATQ-LOKDSWTASA-N	240.263	0.245	5	1	BCBF	
Cn1c(=O)nc2sc3ccccc3nc-2c1=O	33979295	FUMBZFILOPYEJQ-UHFFFAOYSA-N	245.263	0.855	5	1	BCBF	
C[N+]1(C)CCO[C@@](O)(C(F)(F)F)C1	13605065	QOMMDBZPNCRWQI-ZCFIWIBFSA-N	200.180	0.344	5	1	BCBF	
COc1c(Nc2ccc([N+](=O)[O-])cc2)c(=O)c1=O	166740648	NSOGLROPNSOBEI-UHFFFAOYSA-N	248.194	0.943	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)CN[C@@H](CCO)C2	28360551	KDAGWLCELSPTEG-JTQLQIEISA-N	222.244	0.992	5	1	BCBF	
O=C1NS(=O)c2cc([N+](=O)[O-])ccc21	2491908	UNUPZDHGBOSWPV-UHFFFAOYSA-N	212.186	0.361	5	1	BCBF	
C[C@@H](CN1C=CN(C)C1=CN=O)[N+](=O)[O-]	1857621921	CKSVQHIKDVCZPI-ZETCQYMHSA-N	212.209	0.936	5	1	BCBF	
O=C(O)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1O	139541390	DIZCUDARYXHSPM-UHFFFAOYSA-N	244.115	0.612	5	1	BCBF	
C[N+](C)([BH2-]C#N)C[C@@H](O)c1ccccc1	195157063	MLKAUBZFIMXGFD-LLVKDONJSA-N	204.082	0.361	5	1	BCBF	
C=CC(=O)OCCn1c([N+](=O)[O-])cnc1C	49034276	MAWGIUDKGUTHLG-UHFFFAOYSA-N	225.204	0.829	5	1	BCBF	
C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@]1=O	13683910	DAXFFIHSDRDSKA-MAGOMRGPSA-N	218.342	0.719	5	1	BCBF	
Nc1cccc2cc3c(=O)[nH][nH]c(=O)c3cc12	13493862	QCRULUFDWHKDET-UHFFFAOYSA-N	227.223	0.952	5	1	BCBF	
N=C1NC[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=N)N1	13757828	OGHQRQWHTPXPFU-QMMMGPOBSA-N	247.258	0.858	5	1	BCBF	
NCCOCc1nc2cccc([N+](=O)[O-])c2[nH]1	587246806	WZQSBUJXLDDYLD-UHFFFAOYSA-N	236.231	0.946	5	1	BCBF	
O=[N+]([O-])C[C@@H](O)c1ccc([N+](=O)[O-])cc1	8689801	IBGLUMJSLYZZRX-MRVPVSSYSA-N	212.161	0.905	5	1	BCBF	
CC1(C)OC[C@@H](C[N+](C)(C)CCO)O1	28021141	FNWDFZULLVCZCE-SECBINFHSA-N	204.290	0.207	5	1	BCBF	
C[N+]1(CCNC(=O)CN=O)CCCCC1	169689206	HBKUPBDMPCSNGD-UHFFFAOYSA-O	214.289	0.500	5	1	BCBF	
O=[N+]([O-])C[C@]12O[C@@]3(O)[C@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42	169290517	LOEIDFUDZVQDTE-MYBWVJKRSA-N	235.239	0.108	5	1	BCBF	
CS(=O)(=O)Cc1c([N+](=O)[O-])cn2c1CCC2	1772588521	AHWIPCIRFNBXBA-UHFFFAOYSA-N	244.272	0.887	5	1	BCBF	
C[C@@](O)(c1cccc([N+](=O)[O-])c1)P(=O)(O)O	26261764	DTWBIHHOWNEDMV-QMMMGPOBSA-N	247.143	0.938	5	1	BCBF	
NC(=O)c1nc(O)c2cc3ccccc3nc2n1	26579859	USVBXPLCMAROQB-UHFFFAOYSA-N	240.222	0.983	5	1	BCBF	
Nc1nc(N)nc(-c2cc([N+](=O)[O-])ccc2O)n1	36387980	YWBPKAMDFDVQKV-UHFFFAOYSA-N	248.202	0.317	5	1	BCBF	
NC(=O)[C@H](Cc1ccccc1)C[N+](=O)[O-]	58649722	JJVMCABGSUOHSC-SECBINFHSA-N	208.217	0.607	5	1	BCBF	in-vitro
O=c1oc2cc3nc(O)c(=O)oc3cc2nc1O	26637621	XRTPPTMTCJFTHP-UHFFFAOYSA-N	248.150	0.101	5	1	BCBF	
CC[N+](CC)(CC)C[C@H](O)CC(=O)O	84385959	GJFCXKXSMQLCRN-SECBINFHSA-O	204.290	0.699	5	1	BCBF	
C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@]1=O	13683906	DAXFFIHSDRDSKA-RZGXBDKHSA-N	218.342	0.719	5	1	BCBF	
Cc1cc([N+](=O)[O-])c2[nH]c(=O)c(=O)[nH]c2c1	13761191	ZRPDPKYZSUQWJP-UHFFFAOYSA-N	221.172	0.433	5	1	BCBF	
O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@H]2CN3)cn1	28708894	PJZJKCSPIJZHHP-VXNVDRBHSA-N	220.232	0.540	5	1	BCBF	
O=[N+]([O-])C[C@]12O[C@]3(O)[C@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12	195525448	LOEIDFUDZVQDTE-IDSYXWTBSA-N	235.239	0.108	5	1	BCBF	
C[N+]1(C)CCN([P@@]2(=O)NCCCO2)CC1	40565600	NZMOIYSUFAOJKF-OAHLLOKOSA-N	234.260	0.496	5	1	BCBF	
C[C@H](C[N+](=O)[O-])OCN1C=CN(C)/C1=C/N=O	148129689	CPPUGZBXSZVOAH-CPJBWDMUSA-N	242.235	0.910	5	1	BCBF	
COCCOCCOC(=O)NCC[N+](C)(C)C	71295656	AHAFTPIXUUMSLG-UHFFFAOYSA-O	249.331	0.082	5	1	BCBF	
N[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCOC1	587248431	PLHCKUNIHNZSMW-JTQLQIEISA-N	249.230	0.440	5	1	BCBF	
Cc1c(F)cc2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]	13761201	SOCRPAQCLKSSLO-UHFFFAOYSA-N	239.162	0.572	5	1	BCBF	
CN(C)c1nc2nc3ccccc3nc2c(=O)[nH]1	29132820	CNHZQSHSTRDKMH-UHFFFAOYSA-N	241.254	0.932	5	1	BCBF	
C=CC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C	34595210	YUCNWOKTRWJLGY-MRVPVSSYSA-O	216.257	0.265	5	1	BCBF	in-vitro
C[C@H]1[C@@H](C)[N@@]1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1857567601	VKUQQJFQNDTATQ-ZZIUEJKTSA-N	240.263	0.245	5	1	BCBF	
CCOC(=O)Nc1cc(N)c([N+](=O)[O-])c(N)n1	27190982	JMWNRIFKOSQRBL-UHFFFAOYSA-N	241.207	0.723	5	1	BCBF	
CC(=O)Cn1c(C)nc([N+](=O)[O-])c1[N+](=O)[O-]	40829354	HWTYMMVQHXOBIY-UHFFFAOYSA-N	228.164	0.597	5	1	BCBF	
Cc1cn2cc([N+](=O)[O-])nc2c(OCCO)n1	1857550277	NQTHRVQSIIKSIY-UHFFFAOYSA-N	238.203	0.317	5	1	BCBF	
C[C@H]1NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	144298464	CCNQHAGZHNMDTE-RXMQYKEDSA-N	228.229	0.948	5	3	BCBF	
O=[N+]([O-])c1cccc([C@@H](O)P(=O)(O)O)c1	26270992	ZSQNLGQLRKSHDB-ZETCQYMHSA-N	233.116	0.763	5	1	BCBF	
CN(C)CCOc1cncc([N+](=O)[O-])c1	13819613	RFKPXEJTELFCDM-UHFFFAOYSA-N	211.221	0.930	5	1	BCBF	
O=[N+]([O-])c1cc([C@H](O)P(=O)(O)O)cs1	26289925	GYZCVXRKJKVUFF-RXMQYKEDSA-N	239.145	0.825	5	1	BCBF	
Cn1c([N+](=O)[O-])cnc1SCCC(=O)O	169347007	GAKBDFLWDNGMLU-UHFFFAOYSA-N	231.233	0.895	5	1	BCBF	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@H]1CO1	26504847	AZZSKKUMFYLZLK-LKVYWMSASA-N	238.199	0.716	5	1	BCBF	
CC[N+](CC)(CC)C[C@@H](O)CC(=O)O	84385962	GJFCXKXSMQLCRN-VIFPVBQESA-O	204.290	0.699	5	1	BCBF	
CO[C@@H]1C[C@](C)([N+](=O)[O-])[C@@H](O)[C@H](C)O1	254143495	IPERGVQHDOMEEJ-XAMCCFCMSA-N	205.210	0.164	5	1	BCBF	
CC1(C)NC(=O)N(CCC[N+](C)(C)C)C1=O	230558114	ZRILJSFHINZBNU-UHFFFAOYSA-O	228.316	0.413	5	1	BCBF	
C[C@H]1[C@@H](C)[N@]1C[C@H](O)Cn1ccnc1[N+](=O)[O-]	1857567600	VKUQQJFQNDTATQ-VXFNFUGZSA-N	240.263	0.245	5	1	BCBF	
CN1C(=O)c2c(F)cc([N+](=O)[O-])cc2S1=O	269131	SNRGISSYOFPOJX-UHFFFAOYSA-N	244.203	0.842	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)nc(O)c1nnnn12	13726932	LGTUTJMYKBXISP-UHFFFAOYSA-N	232.159	0.286	5	1	BCBF	
O=[N+]([O-])C[C@@]12O[C@]3(O)[C@H]4[C@H]5C[C@@H]([C@@H]6[C@@H]5[C@@H]3[C@@H]61)[C@H]42	195525447	LOEIDFUDZVQDTE-JFVUVKECSA-N	235.239	0.108	5	1	BCBF	
COc1cccc2cc3c(=O)[nH]c(=O)[nH]c3nc12	103201616	DBDWSDKWBWTJFW-UHFFFAOYSA-N	243.222	0.773	5	1	BCBF	
CN(C)[N+](=O)NOCc1ccc([N+](=O)[O-])cc1	377845541	PPZSRZWHQWPSGY-UHFFFAOYSA-N	241.227	0.787	5	1	BCBF	
N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCOC1	587248433	PLHCKUNIHNZSMW-SNVBAGLBSA-N	249.230	0.440	5	1	BCBF	
CC(=O)NCCc1ccc(O)c([N+](=O)[O-])c1	14492578	LBZQSQYRGCAOJM-UHFFFAOYSA-N	224.216	0.979	5	1	BCBF	
O=[N+]([O-])c1ccc([C@H](O)P(=O)(O)O)cc1	26261086	VRWVZOORCVEXCS-SSDOTTSWSA-N	233.116	0.763	5	1	BCBF	
C[C@@H]([C@H](O)c1cnc([N+](=O)[O-])n1C)[N+](=O)[O-]	169324525	CRTLTVCCPVCIJI-NJGYIYPDSA-N	230.180	0.027	5	1	BCBF	
NC(=O)c1nc([N+](=O)[O-])cn1Cc1ccccc1	1857566921	ZFFJJPYQKUVIJU-UHFFFAOYSA-N	246.226	0.939	5	1	BCBF	
C[C@H](COCN1C=CN(C)C1=CN=O)[N+](=O)[O-]	1857535422	XCBOERRZCNXGSD-MRVPVSSYSA-N	242.235	0.910	5	1	BCBF	
Cc1cccc2nc(C(N)=O)c([N+](=O)[O-])n12	103201558	HDDUXQRDGMFWRJ-UHFFFAOYSA-N	220.188	0.650	5	1	BCBF	
O=[N+]([O-])c1ccc2c(c1)CN[C@H](CCO)C2	28360544	KDAGWLCELSPTEG-SNVBAGLBSA-N	222.244	0.992	5	1	BCBF	
O=C(O)Cn1ccc(=O)c2ccc([N+](=O)[O-])cc21	1626387	SEVVJVSBOXLQEN-UHFFFAOYSA-N	248.194	0.994	5	1	BCBF	
C[C@@H]1C[N@@]1P1(=O)OCC(C)([N+](=O)[O-])CO1	1857622999	HRHDTUXTJNZJNC-PDEKEMIXSA-N	236.164	0.881	5	1	BCBF	
O=[N+]([O-])C[C@@]12O[C@@]3(O)[C@H]4[C@@H]1[C@H]1[C@@H]5C[C@@H]([C@H]14)[C@@H]3[C@@H]52	169290518	LOEIDFUDZVQDTE-PGMBDGPLSA-N	235.239	0.108	5	1	BCBF	
CC(=O)NCOC(=O)c1ccc([N+](=O)[O-])cc1	29340105	WXTVBPILUTXPEE-UHFFFAOYSA-N	238.199	0.845	5	1	BCBF	
CN1C(=O)N(Cl)[C@@](C)(C[N+](C)(C)C)C1=O	69058879	FICIOZBBNIRYKY-VIFPVBQESA-N	234.707	0.499	5	1	BCBF	
O=[N+]([O-])C[C@]12O[C@]3(O)[C@@H]4[C@H]5C[C@H]([C@@H]41)[C@@H]1[C@@H]5[C@@H]3[C@@H]12	299815497	LOEIDFUDZVQDTE-WHGJNNMOSA-N	235.239	0.108	5	1	BCBF	
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O=[N+]([O-])c1cccc2c1O[C@H](C1=NCCN1)CO2	27980124	CYTYQORQNGLNBM-VIFPVBQESA-N	249.226	0.736	5	1	BCBF	
C[N+](C)(C)CCCNCCCC[C@@H](N)C(=O)O	2356312718	HDWBAPUGLGDJRY-LLVKDONJSA-O	246.375	0.255	5	1	BCBF	
C[N+](C)(C)CCOc1ccc(CCN)cc1O	209737135	BCZYCYYQXZHTLX-UHFFFAOYSA-O	239.339	0.978	5	1	BCBF	
CN1C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc21	169344234	WQYLEUMUOLFHTD-UHFFFAOYSA-N	235.199	0.301	5	1	BCBF	
CN1C=CN(CC[N+](C)(C)C)C1=CN=O	1857561671	ANTZMHGJHNIQSP-UHFFFAOYSA-N	211.289	0.977	5	1	BCBF	
O=[N+]([O-])c1cc([C@H](O)P(=O)(O)O)ccc1O	26276596	NXGRJZFETBNEJE-SSDOTTSWSA-N	249.115	0.469	5	1	BCBF	
O=[N+]([O-])c1cnc2[nH]c(CCO)nc2c1	586894532	KOTYLMOVIWSAHD-UHFFFAOYSA-N	208.177	0.401	5	1	BCBF	
COCCNC(=O)/C=C/c1ccc([N+](=O)[O-])o1	66251570	BVHWKMQSJIEBEF-DUXPYHPUSA-N	240.215	0.964	5	1	BCBF	
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O=[N+]([O-])C[C@@]12O[C@@]3(O)[C@H]4[C@@H]1[C@@H]1[C@@H]5C[C@@H]([C@H]14)[C@@H]3[C@@H]52	299815492	LOEIDFUDZVQDTE-IIZZTHLJSA-N	235.239	0.108	5	1	BCBF	
COC1=NO[C@@]2(C1)C[N+]1(C)CCC2CC1	73291804	DVUOFEKQISWFPX-QDYJBQRPSA-N	211.285	0.976	5	1	BCBF	
Cc1ncc([N+](=O)[O-])n1CCOCC[N+](=O)[O-]	45495298	HUAXJPSLEBHVBD-UHFFFAOYSA-N	244.207	0.393	5	1	BCBF	
CN1C=CN(COCC[N+](=O)[O-])C1=CN=O	1857535583	RFBVHIUWLDENGL-UHFFFAOYSA-N	228.208	0.521	5	1	BCBF	
NCCCNc1ccc(N)cc1[N+](=O)[O-]	169327545	QXSCNLAYQJIVDC-UHFFFAOYSA-N	210.237	0.938	5	1	BCBF	
NCCCOc1ccc(CO)cc1[N+](=O)[O-]	169328772	ZHXYBIAJPRPITJ-UHFFFAOYSA-N	226.232	0.815	5	1	BCBF	
O=[N+]([O-])c1cc(N[C@@H]2CCNC2)ccc1CO	1857657039	YHYBEVXDNKAVFH-SNVBAGLBSA-N	237.259	0.861	5	1	BCBF	
N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCOC1	587248777	VZEDQCAGJSMKRV-SNVBAGLBSA-N	249.230	0.440	5	1	BCBF	
Cn1c([N+](=O)[O-])cnc1C(=O)NC1CC1	1772581821	UEILXPHQVVQTMO-UHFFFAOYSA-N	210.193	0.221	5	1	BCBF	
CO[C@@H]1CC[C@@H](O)[C@H](/C=C/[N+](=O)[O-])C1	1597664	QYXZOFLIRWHLBP-VARVQHAUSA-N	201.222	0.953	5	1	BCBF	
CO[C@@H]1C[C@@](C)([N+](=O)[O-])[C@@H](O)[C@@H](C)O1	14959108	IPERGVQHDOMEEJ-VGRMVHKJSA-N	205.210	0.164	5	1	BCBF	
N=C(N)n1cc2cccc([N+](=O)[O-])c2n1	3871238	GFYAZUABYOOPCN-UHFFFAOYSA-N	205.177	0.686	5	1	BCBF	in-vivo
C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)C[S@]1=O	13683876	DAXFFIHSDRDSKA-RBQUTUCGSA-N	218.342	0.719	5	1	BCBF	
CN1C=CN(COCC[N+](=O)[O-])/C1=C\N=O	148103272	RFBVHIUWLDENGL-VURMDHGXSA-N	228.208	0.521	5	1	BCBF	
CN(C)C(=O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	587197691	SOYNLGWBTZGREH-UHFFFAOYSA-N	249.230	0.497	5	1	BCBF	
O=[N+]([O-])c1nccn1Cc1cn(CCF)nn1	95576145	REDNYVMNIXZUDI-UHFFFAOYSA-N	240.198	0.401	5	1	BCBF	
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O=[N+]([O-])C[C@@]12O[C@@]3(O)[C@@H]4[C@@H]1[C@H]1[C@@H]5C[C@@H]([C@H]14)[C@@H]3[C@@H]52	169290519	LOEIDFUDZVQDTE-IWFCGXHVSA-N	235.239	0.108	5	1	BCBF	
O=C(O)Cn1ccc(=O)c2cc([N+](=O)[O-])ccc21	1626386	BMTHZKZRIUSSIV-UHFFFAOYSA-N	248.194	0.994	5	1	BCBF	
C[C@H]1[C@@H](C)[N@]1C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1857567599	VKUQQJFQNDTATQ-QRIDJOKKSA-N	240.263	0.245	5	1	BCBF	
O=C(/C=C/c1ccc([N+](=O)[O-])o1)NC[C@@H]1CO1	26504843	AZZSKKUMFYLZLK-YUQHSTNDSA-N	238.199	0.716	5	1	BCBF	
COc1ccc2nc3[nH]c(=O)[nH]c(=O)c3cc2c1	103201614	XKWYSCUOLYNIIZ-UHFFFAOYSA-N	243.222	0.773	5	1	BCBF	
O=C1Nc2ccc([N+](=O)[O-])cc2[C@]12C[C@H]2CO	71330548	RZQKTQODZXDMCU-UPONEAKYSA-N	234.211	0.797	5	1	BCBF	
CCNC[C@H](O)c1ccc(N)c([N+](=O)[O-])c1	5499567	PZAKUZQJPGDNIX-JTQLQIEISA-N	225.248	0.820	5	1	BCBF	
NCCOCc1nc2cc([N+](=O)[O-])cnc2[nH]1	587246955	ZUGDZERFKUPTNA-UHFFFAOYSA-N	237.219	0.341	5	1	BCBF	
CC(=O)n1nnc2ccc([N+](=O)[O-])cc21	1622629	XMMVCGPEALKLGY-UHFFFAOYSA-N	206.161	1.000	5	1	BCBF	
CCOC(=O)/C=C/c1cnc([N+](=O)[O-])n1C	169324502	GAYIHFGURSNEHK-SNAWJCMRSA-N	225.204	0.905	5	1	BCBF	
N[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C1COC1	587256761	KLVRRZVVYVTKPX-MRVPVSSYSA-N	249.230	0.512	5	1	BCBF	
COC(=O)/C=C/c1cnc([N+](=O)[O-])n1C	13216822	ANWAOTYMMZEURB-ONEGZZNKSA-N	211.177	0.515	5	1	BCBF	
Cn1c([N+](=O)[O-])cnc1C(=O)N1CCCC1	1772642566	GYJYWIJMNWCIQV-UHFFFAOYSA-N	224.220	0.564	5	1	BCBF	
CN1C=CN(COCCC[N+](=O)[O-])C1=CN=O	1857535337	UUYPQTGLXRSSCM-UHFFFAOYSA-N	242.235	0.911	5	1	BCBF	
C[C@H](COCN1C=CN(C)/C1=C\N=O)[N+](=O)[O-]	209135479	XCBOERRZCNXGSD-CBVZUMJXSA-N	242.235	0.910	5	1	BCBF	
NCCOCc1nc2cncc([N+](=O)[O-])c2[nH]1	587246748	VITYWZTZJRLUEV-UHFFFAOYSA-N	237.219	0.341	5	1	BCBF	
CCNC[C@@H](O)c1ccc(N)c([N+](=O)[O-])c1	5499570	PZAKUZQJPGDNIX-SNVBAGLBSA-N	225.248	0.820	5	1	BCBF	
COC1=NO[C@]2(C1)C[N+]1(C)CCC2CC1	73291807	DVUOFEKQISWFPX-DMLGSKKGSA-N	211.285	0.976	5	1	BCBF