smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)c1c(C)nc(O)c([N+](=O)[O-])c1O	8637163	QVVZZSDZBJQNTB-UHFFFAOYSA-N	242.187	0.886	5	30	BCBC	
O=[N+]([O-])c1ccc(-c2noc(C(O)O)n2)cc1	39247930	PYJFHJFQSWQNOD-UHFFFAOYSA-N	237.171	0.628	5	30	BCBC	
COC(=O)[C@@H](O)c1ccc(O)c([N+](=O)[O-])c1	1535738629	AQBMGVWXUGBHEG-QMMMGPOBSA-N	227.172	0.507	5	30	BCBC	
O=[N+]([O-])c1cn2c(n1)O[C@@H](CCO)CC2	1537810983	WLQVCGBLMLWGED-ZCFIWIBFSA-N	213.193	0.325	5	30	BCBC	
NC(=O)[C@@H]1CCC(=O)N1c1ccc([N+](=O)[O-])cc1	2265369627	QPOPFLSYRUMRBA-VIFPVBQESA-N	249.226	0.576	5	30	BCBC	
CC(C)OC[C@@H]1Cn2cc([N+](=O)[O-])nc2O1	5882080	XRBPBOLVLSOSGX-ZETCQYMHSA-N	227.220	0.977	5	30	BCBC	
Cc1cc(F)c([N+](=O)[O-])cc1S(N)(=O)=O	87226256	YYNKYQVPMDEFGT-UHFFFAOYSA-N	234.208	0.690	5	30	BCBC	
NNC(=C[N+](=O)[O-])Nc1ccc(F)cc1	2265233852	CDKTYLKHBKXPEX-UHFFFAOYSA-N	212.184	0.777	5	30	BCBC	
CC1(C)Oc2nc([N+](=O)[O-])cn2C[C@@H]1O	1537811004	YJEYZFGEMIIIAH-YFKPBYRVSA-N	213.193	0.323	5	30	BCBC	
COc1ccc([N+](=O)[O-])c(S(N)(=O)=O)c1	84193194	MJZMQHXLTNDKCT-UHFFFAOYSA-N	232.217	0.251	5	30	BCBC	
N[C@H](Cc1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O	950757528	PCFVXMNPUJDSTR-ZCFIWIBFSA-N	244.178	0.394	5	30	BCBC	
O=[N+]([O-])C(F)(F)C(F)([N+](=O)[O-])[N+](=O)[O-]	111335123	YZXMNZPACCLUCJ-UHFFFAOYSA-N	219.031	0.033	5	30	BCBC	
C[C@@H]([C@H](O)c1ccc2ncnn2c1)[N+](=O)[O-]	91301764	XDYGCGCYPYFFBS-RCOVLWMOSA-N	222.204	0.428	5	30	BCBC	
O=[N+]([O-])C=C1NCCN1CC=CCl	2265224243	YZYLRANZSRIEOP-UHFFFAOYSA-N	203.629	0.720	5	30	BCBC	
CC(C)OC[C@H]1Cn2cc([N+](=O)[O-])nc2O1	5882086	XRBPBOLVLSOSGX-SSDOTTSWSA-N	227.220	0.977	5	30	BCBC	
O=[N+]([O-])c1ccc(S(=O)(=O)CCO)cc1	95348148	BUEYRCAVFDMGHP-UHFFFAOYSA-N	231.229	0.361	5	30	BCBC	in-vitro
C[C@@H]1C[C@]2(C[C@@H](C[N+](C)(C)C)OC2=O)C(=O)O1	1844993	KMLDFWXPPAXUIY-PTRXPTGYSA-N	242.295	0.330	5	30	BCBC	
CONS(=O)(=O)c1cccc([N+](=O)[O-])c1	62188000	VPBLEPVVLBJSFD-UHFFFAOYSA-N	232.217	0.435	5	30	BCBC	
CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]	4362545	XHTYOILMKREFMX-UHFFFAOYSA-N	239.235	0.263	5	30	BCBC	
CCC(=O)Oc1nc(O)nc(O)c1[N+](=O)[O-]	309191824	BQQGEIUQFZCOJB-UHFFFAOYSA-N	229.148	0.111	5	30	BCBC	
O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1CO	37593982	QQASUCLSXQHIJQ-UHFFFAOYSA-N	228.160	0.488	5	30	BCBC	in-vitro
C[C@@H]([C@H](NCCN)c1ccccc1)[N+](=O)[O-]	5735368	KHUHJMXIOOBDQH-ONGXEEELSA-N	223.276	0.941	5	30	BCBC	
N[C@@H](C(=O)O)c1c(F)ccc([N+](=O)[O-])c1F	309193803	KGYNDICFDWNIDK-SSDOTTSWSA-N	232.142	0.957	5	30	BCBC	
CN(C)c1ncnc(N(C)C)c1[N+](=O)[O-]	4364006	OLLBCIHYMNJKAF-UHFFFAOYSA-N	211.225	0.517	5	30	BCBC	
C[C@H]([C@H](NCCN)c1ccccc1)[N+](=O)[O-]	5751635	KHUHJMXIOOBDQH-KOLCDFICSA-N	223.276	0.941	5	30	BCBC	
C=CC(=O)NCCC[N+](C)(C)CCC(=O)O	39316813	QAQMTHGHDYCNSJ-UHFFFAOYSA-O	229.300	0.230	5	30	BCBC	
CCS(=O)(=O)c1ccc(N)c([N+](=O)[O-])c1	5139934	NAELBNIEPRXPCO-UHFFFAOYSA-N	230.245	0.971	5	30	BCBC	
CC1(C)Oc2nc([N+](=O)[O-])cn2C[C@H]1O	1537811003	YJEYZFGEMIIIAH-RXMQYKEDSA-N	213.193	0.323	5	30	BCBC	
C[C@@H]1C[C@]2(C[C@H](C[N+](C)(C)C)OC2=O)C(=O)O1	5735980	KMLDFWXPPAXUIY-LNLATYFQSA-N	242.295	0.330	5	30	BCBC	
Nc1ccc([N+](=O)[O-])cc1OCC(=O)O	5420562	PTWOVXXBGGTVCJ-UHFFFAOYSA-N	212.161	0.640	5	30	BCBC	
CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[N+](=O)[O-]	238857248	YLKHXXIHQSVQFK-HTRCEHHLSA-N	200.238	0.956	5	30	BCBC	
Nc1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	3723303	IZYFIDVHDVHRHV-UHFFFAOYSA-N	219.204	0.886	5	30	BCBC	
CCCCCC[C@@H](O)C[N+](C)(C)C[C@@H](O)CO	38647502	RLBHXEXHWOZGKV-CHWSQXEVSA-N	248.387	0.747	5	30	BCBC	
NS(=O)(=O)c1ccc(C=O)cc1[N+](=O)[O-]	694941533	MWNFQNNIUSREJY-UHFFFAOYSA-N	230.201	0.055	5	30	BCBC	
NS(=O)(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	309014209	BVLICPZIJARQEY-UHFFFAOYSA-N	241.228	0.724	5	30	BCBC	
COC(=O)CNc1nc(Cl)ncc1[N+](=O)[O-]	40448275	VSZQPTFLDOLJHB-UHFFFAOYSA-N	246.610	0.623	5	30	BCBC	
CCCCCC[C@H](O)C[N+](C)(C)C[C@@H](O)CO	38647500	RLBHXEXHWOZGKV-QWHCGFSZSA-N	248.387	0.747	5	30	BCBC	
C[N+](C)(C)CCOC(=O)CC[N+](C)(C)C	2021875	IXIGZCVIXJPUFC-UHFFFAOYSA-N	218.341	0.332	5	30	BCBC	
O=C(O)c1ccc2nc3ccccc3c(=O)n2n1	21300090	ZMKKVDIUCIRSCE-UHFFFAOYSA-N	241.206	0.941	5	30	BCBC	
O=[N+]([O-])c1cnc(N2CCNC2=S)s1	33753678	ZOFIQVOGCZRBNP-UHFFFAOYSA-N	230.274	0.746	5	30	BCBC	
O=C1CC[C@@H]([N+](=O)[O-])[C@H](c2ccco2)N1	238856825	XGPOTQVNDBYTKG-HZGVNTEJSA-N	210.189	0.876	5	30	BCBC	
CN1CCN(Cc2ncc([N+](=O)[O-])n2C)CC1	27642446	QBMDUIXCYDOTRQ-UHFFFAOYSA-N	239.279	0.076	5	30	BCBC	
COc1ccc([N+](=O)[O-])c(N2CCOCC2)n1	20458397	OYCROQMNSSQIHF-UHFFFAOYSA-N	239.231	0.835	5	30	BCBC	
C[C@@H]([C@@H](O)c1ccc2ncnn2c1)[N+](=O)[O-]	91301766	XDYGCGCYPYFFBS-IMTBSYHQSA-N	222.204	0.428	5	30	BCBC	
NC[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1	66325600	VODQZOBRLBSVGX-QMMMGPOBSA-N	210.189	0.722	5	30	BCBC	
O=[N+]([O-])c1cn2c(n1)O[C@H](CCO)CC2	1537810981	WLQVCGBLMLWGED-LURJTMIESA-N	213.193	0.325	5	30	BCBC	
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCNC1	52092882	ZFKHBWMHJWGKBZ-VIFPVBQESA-N	249.270	0.995	5	30	BCBC	
C[C@H](O)[C@@](Br)([C@@H](C)O)[N+](=O)[O-]	256091445	XIAMXNMLRAUKOQ-ZXFHETKHSA-N	228.042	0.116	5	30	BCBC	
CC(=O)O[C@@H](C)C(=O)OCC[N+](C)(C)C	2007622	SRZGFCNCQUMTCP-QMMMGPOBSA-N	218.273	0.187	5	30	BCBC	in-man
Nc1cccc([N+](=O)[O-])c1S(=O)(=O)O	33608737	QWIMXVCXQUBPIY-UHFFFAOYSA-N	218.190	0.424	5	30	BCBC	
C[N+](C)(C)c1cccc(OC[C@@H](O)CO)c1	1851673	UGYJRTHHGDXODI-NSHDSACASA-N	226.296	0.615	5	30	BCBC	
O=C(O)CNC(=O)Nc1ncc([N+](=O)[O-])s1	6091438	WTPOLSGZKLGROU-UHFFFAOYSA-N	246.204	0.257	5	30	BCBC	
NNC(=C[N+](=O)[O-])Nc1ccc(O)cc1F	2265222011	SDPDRWXRLCJWPH-UHFFFAOYSA-N	228.183	0.482	5	30	BCBC	
Nc1nc(C(F)(F)F)nc(N)c1[N+](=O)[O-]	26438756	ZQOKVPMMZCLXPQ-UHFFFAOYSA-N	223.114	0.568	5	30	BCBC	
O=C(O)[C@@H]1[C@H]2C[C@@H]2CN1c1ncccc1[N+](=O)[O-]	229692470	BIWRJKPISBSCHS-FJXKBIBVSA-N	249.226	0.899	5	30	BCBC	
O=[N+]([O-])c1ccc(N2CCC[C@@H](O)C2)nc1	24094117	JMXCMNLDBVQJLG-SECBINFHSA-N	223.232	0.951	5	30	BCBC	
NC(=O)c1cnc(Cl)c([N+](=O)[O-])c1	114626366	CEGMZWBZAQVGHJ-UHFFFAOYSA-N	201.569	0.742	5	30	BCBC	
Cn1nc(C(=O)O)c([N+](=O)[O-])c1Cl	299805477	PTGAUEBFFKSGSZ-UHFFFAOYSA-N	205.557	0.680	5	30	BCBC	
CCOC(=O)[C@@]1(CC[N+](=O)[O-])C[C@H]2CCN1C2	116678021	QGSFZPWHFWLTPN-MWLCHTKSSA-N	242.275	0.681	5	30	BCBC	
CCCCCC[C@H](O)C[N+](C)(C)C[C@H](O)CO	38647495	RLBHXEXHWOZGKV-STQMWFEESA-N	248.387	0.747	5	30	BCBC	
O=[N+]([O-])c1cnccc1N1CCNCC1	34938910	KCPYVCICIJDVDN-UHFFFAOYSA-N	208.221	0.399	5	30	BCBC	
C[C@](N)(Cc1ccccc1[N+](=O)[O-])C(=O)O	36914690	UBTIYKMYANVKMU-JTQLQIEISA-N	224.216	0.939	5	30	BCBC	
CCOC(=O)Cc1cc[nH]c(=O)c1[N+](=O)[O-]	95756099	RSERYAIBQSRBIU-UHFFFAOYSA-N	226.188	0.389	5	30	BCBC	
CCCCCC[C@@H](O)C[N+](C)(C)C[C@H](O)CO	38647497	RLBHXEXHWOZGKV-OLZOCXBDSA-N	248.387	0.747	5	30	BCBC	
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCNC1	52092881	ZFKHBWMHJWGKBZ-SECBINFHSA-N	249.270	0.995	5	30	BCBC	
O=[N+]([O-])c1ccc(Br)[n+]([O-])c1	34566386	XVLKCMJXHYMDLK-UHFFFAOYSA-N	218.994	0.991	5	30	BCBC	
O=[N+]([O-])c1ccc2c(c1)O[C@H](CO)CO2	39276711	OTKMWYJAIRWTNV-SSDOTTSWSA-N	211.173	0.727	5	30	BCBC	in-vitro
CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	123695343	SUGZFVSNVDHUFT-UHFFFAOYSA-N	234.208	0.642	5	30	BCBC	
CS(=O)(=O)c1cc(N)ccc1[N+](=O)[O-]	148973278	QRTIFUDWCLYBCJ-UHFFFAOYSA-N	216.218	0.581	5	30	BCBC	
O=CNc1ccc(CCOC=O)cc1[N+](=O)[O-]	238790920	WCTNXQNPGMNLIA-UHFFFAOYSA-N	238.199	0.879	5	30	BCBC	
NS(=O)(=O)c1csc([N+](=O)[O-])c1	33825451	IAGFZPWQHMBBJP-UHFFFAOYSA-N	208.220	0.304	5	30	BCBC	
O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC2)nc1	95079458	RJIAXQZDXXJYLN-UHFFFAOYSA-N	243.244	0.431	5	30	BCBC	
C[C@@H](O)[C@@H](N)Cc1cccc([N+](=O)[O-])c1	83987670	GNNZKRJYAYRESU-XCBNKYQSSA-N	210.233	0.845	5	30	BCBC	
N[C@H](C(=O)O)c1c(F)ccc([N+](=O)[O-])c1F	309193805	KGYNDICFDWNIDK-ZETCQYMHSA-N	232.142	0.957	5	30	BCBC	
COC(=O)c1ccc(O)c([N+](=O)[O-])c1O	95775288	MGISJTNDNGBQKQ-UHFFFAOYSA-N	213.145	0.793	5	30	BCBC	in-vitro
N=[S@](N)(=O)c1ccc([N+](=O)[O-])cc1	2265385284	BQXXNSDLXFZWBH-UHFFFAOYSA-N	201.207	0.874	5	30	BCBC	
NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]	84095476	FHBHDKMGKDDKHX-UHFFFAOYSA-N	201.569	0.742	5	30	BCBC	in-vitro
O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCCO	95934800	UIVZLKQKTUZDSE-UHFFFAOYSA-N	227.176	0.907	5	30	BCBC	
COC(=O)COc1ncccc1[N+](=O)[O-]	38860795	CRKFZZGLBNCWBP-UHFFFAOYSA-N	212.161	0.542	5	30	BCBC	
O=[N+]([O-])c1nccn1CCN1CCOCC1	13282334	NAEIQHMISIYBGX-UHFFFAOYSA-N	226.236	0.124	5	30	BCBC	
COC(=O)c1cnc(F)c([N+](=O)[O-])c1	238331270	AFXLRSZOLSXZOJ-UHFFFAOYSA-N	200.125	0.916	5	30	BCBC	
CCCC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	1529540	QWYFHHGCZUCMBN-VIFPVBQESA-O	232.300	0.879	5	30	BCBC	endogenous,in-man
O=c1[nH]c(=O)c2cccc([N+](=O)[O-])c2[nH]1	138792078	QLEULKBPSRYHML-UHFFFAOYSA-N	207.145	0.125	5	30	BCBC	
COC(=O)[C@H](O)c1ccc(O)c([N+](=O)[O-])c1	1535738625	AQBMGVWXUGBHEG-MRVPVSSYSA-N	227.172	0.507	5	30	BCBC	
C[C@@H]1C[C@@]2(C[C@@H](C[N+](C)(C)C)OC2=O)C(=O)O1	32130620	KMLDFWXPPAXUIY-VDDIYKPWSA-N	242.295	0.330	5	30	BCBC	
O=c1[nH]cc(-c2ccccc2[N+](=O)[O-])c(=O)[nH]1	44138682	IUFJGRHYTNEAEX-UHFFFAOYSA-N	233.183	0.638	5	30	BCBC	
NS(=O)(=O)c1ccc([N+](=O)[O-])c(Cl)c1	28022277	GSRVYSLJJHIICB-UHFFFAOYSA-N	236.636	0.896	5	30	BCBC	
CCOC(=O)[C@]1(CC[N+](=O)[O-])C[C@H]2CCN1C2	116678022	QGSFZPWHFWLTPN-KOLCDFICSA-N	242.275	0.681	5	30	BCBC	
Cn1c(=O)c2cc3ccccc3nc2n(C)c1=O	134933	VTCRFEUVBWRSMI-UHFFFAOYSA-N	241.250	0.785	5	30	BCBC	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(F)cc21	216718680	WVDJOIQJDAGXMP-UHFFFAOYSA-N	225.179	0.924	5	30	BCBC	
O=[N+]([O-])c1ccc(O)c(CS(=O)(=O)O)c1	31439917	VZGUELDCIMLXIM-UHFFFAOYSA-N	233.201	0.688	5	30	BCBC	
O=C(O)c1cnc([N+](=O)[O-])cc1C(=O)O	2524993	JSVJKHUJIICWGR-UHFFFAOYSA-N	212.117	0.386	5	30	BCBC	
C[C@H](O)[C@H](N)Cc1cccc([N+](=O)[O-])c1	83987667	GNNZKRJYAYRESU-OIBJUYFYSA-N	210.233	0.845	5	30	BCBC	
C[C@H](O)C(Br)([C@H](C)O)[N+](=O)[O-]	34083737	XIAMXNMLRAUKOQ-IMJSIDKUSA-N	228.042	0.116	5	30	BCBC	
O=C(O)CNc1ccc([N+](=O)[O-])c2nonc12	35121694	BYSBITYSGCGTCO-UHFFFAOYSA-N	238.159	0.628	5	30	BCBC	
CNS(=O)(=O)c1ccc([N+](=O)[O-])c(F)c1	122535247	KIEYTFGALTUGTE-UHFFFAOYSA-N	234.208	0.642	5	30	BCBC	
CCO[C@H]1C[C@@H](C)C([N+](=O)[O-])=C(N)N1	39099036	GBIQIEPKEKXDHE-RITPCOANSA-N	201.226	0.383	5	30	BCBC	
C[C@H]([C@@H](O)c1ccc2ncnn2c1)[N+](=O)[O-]	91301767	XDYGCGCYPYFFBS-HZGVNTEJSA-N	222.204	0.428	5	30	BCBC	
Nc1cc([N+](=O)[O-])c(O)c(S(=O)(=O)O)c1	38611027	WKPCPXPNQFUCHH-UHFFFAOYSA-N	234.189	0.129	5	30	BCBC	
CCOC(=O)c1cc(O)c([N+](=O)[O-])cn1	95761650	IJTSHWRWUFYLGW-UHFFFAOYSA-N	212.161	0.872	5	30	BCBC	
Cc1ccc([N+](=O)[O-])c(S(N)(=O)=O)c1	84193200	YCUWFBJSKVGMSN-UHFFFAOYSA-N	216.218	0.551	5	30	BCBC	
CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-]	2265384512	NGTWUGPIDVWYID-UHFFFAOYSA-N	220.192	0.817	5	30	BCBC	
O=[N+]([O-])c1c[n+]([O-])cc(Br)c1O	104909038	ARQROSWGEXPNAB-UHFFFAOYSA-N	234.993	0.696	5	30	BCBC	
O=c1cc(O)nc2ccc([N+](=O)[O-])cn12	2265384946	IYBXCYUPWRGOJT-UHFFFAOYSA-N	207.145	0.308	5	30	BCBC	
Cc1cccc(S(N)(=O)=O)c1[N+](=O)[O-]	83411192	YVDJGABOVHJDAV-UHFFFAOYSA-N	216.218	0.551	5	30	BCBC	
Nc1nc(Cc2ccccc2[N+](=O)[O-])n[nH]1	3723305	MODDVXMNVIWQNS-UHFFFAOYSA-N	219.204	0.886	5	30	BCBC	
O=C1Nc2c(F)cc([N+](=O)[O-])cc2C1=O	31866889	OFYFNDZJUKUTMG-UHFFFAOYSA-N	210.120	0.869	5	30	BCBC	in-vitro
C[N+](C)(C)c1cccc(OC[C@H](O)CO)c1	1851671	UGYJRTHHGDXODI-LLVKDONJSA-N	226.296	0.615	5	30	BCBC	
N[C@@H](Cc1cc(F)c(O)c([N+](=O)[O-])c1)C(=O)O	950757527	PCFVXMNPUJDSTR-LURJTMIESA-N	244.178	0.394	5	30	BCBC	
C[C@@H]1C[C@@]2(C[C@H](C[N+](C)(C)C)OC2=O)C(=O)O1	5735901	KMLDFWXPPAXUIY-KBVBSXBZSA-N	242.295	0.330	5	30	BCBC	
C[C@H]([C@H](O)c1ccc2ncnn2c1)[N+](=O)[O-]	91301765	XDYGCGCYPYFFBS-MUWHJKNJSA-N	222.204	0.428	5	30	BCBC	
O=C(O)[C@@H]1[C@@H]2C[C@H]2CN1c1ncccc1[N+](=O)[O-]	103953657	BIWRJKPISBSCHS-OOZYFLPDSA-N	249.226	0.899	5	30	BCBC	
C[C@H](O)[C@@H](N)Cc1cccc([N+](=O)[O-])c1	83987669	GNNZKRJYAYRESU-XVKPBYJWSA-N	210.233	0.845	5	30	BCBC	
O=C(NCCO)c1ccccc1[N+](=O)[O-]	12021450	DDHRZXUHAFEJIO-UHFFFAOYSA-N	210.189	0.317	5	30	BCBC	
C[C@](O)(C(=O)O)c1ccc([N+](=O)[O-])cc1	2547739	BUYKQTWMLZLHDF-SECBINFHSA-N	211.173	0.887	5	30	BCBC	
C[N+](C)(C)CCOCN1CCCC1=O	2038128	QISFYLSEKIOUQG-UHFFFAOYSA-N	201.290	0.289	5	30	BCBC	
COC(=O)COc1ccncc1[N+](=O)[O-]	97053475	NVQXJMOTEOWLAQ-UHFFFAOYSA-N	212.161	0.542	5	30	BCBC	in-vitro
Nc1nc(-n2cccn2)ccc1[N+](=O)[O-]	94262248	JSWDIUNRVOQUJL-UHFFFAOYSA-N	205.177	0.758	5	30	BCBC	
COc1ccc([N+](=O)[O-])c(NCCN)n1	33637294	LCBOUOIZAQDTRX-UHFFFAOYSA-N	212.209	0.369	5	30	BCBC	
O=[N+]([O-])c1ccc([C@@]23CNC[C@@H](CO2)O3)cc1	33886231	LNCWCKGCNVPYHQ-QWRGUYRKSA-N	236.227	0.766	5	30	BCBC	
C[C@@H]([C@@H](NCCN)c1ccccc1)[N+](=O)[O-]	5735408	KHUHJMXIOOBDQH-GXSJLCMTSA-N	223.276	0.941	5	30	BCBC	
C[C@@H](O)[C@H](N)Cc1cccc([N+](=O)[O-])c1	83987668	GNNZKRJYAYRESU-GMSGAONNSA-N	210.233	0.845	5	30	BCBC	
COc1ccc([N+](=O)[O-])c(NCCO)n1	33637292	VEAWFIZYHVCIBA-UHFFFAOYSA-N	213.193	0.403	5	30	BCBC	
CC(=O)Nc1cc([N+](=O)[O-])cc(N)c1O	38611017	JBYMSNCIQHSWOD-UHFFFAOYSA-N	211.177	0.841	5	30	BCBC	
O=C(O)C(C(=O)O)c1ccc([N+](=O)[O-])cn1	95830711	JMVXWBWVEMRTFQ-UHFFFAOYSA-N	226.144	0.243	5	30	BCBC	
CC(=O)O[C@H](C)C(=O)OCC[N+](C)(C)C	2007624	SRZGFCNCQUMTCP-MRVPVSSYSA-N	218.273	0.187	5	30	BCBC	in-man
COC(=O)c1cc(O)cc([N+](=O)[O-])c1O	687751444	DPBREQWLMPWHNK-UHFFFAOYSA-N	213.145	0.793	5	30	BCBC	
O=[N+]([O-])c1cncc(N2CCNCC2)c1	238600631	WDNKAEMQYMGFRN-UHFFFAOYSA-N	208.221	0.399	5	30	BCBC	
O=[N+]([O-])c1cccc2c1S(=O)(=O)N=C2O	71780341	SQPRZTVMUYGIOH-UHFFFAOYSA-N	228.185	0.602	5	30	BCBC	in-vitro
C[N+]1(C)CCN(c2cc(O)cc(O)c2)CC1	2265364122	BCICOHVMOWKHST-UHFFFAOYSA-O	223.296	0.994	5	30	BCBC	
C[C@H]([C@@H](NCCN)c1ccccc1)[N+](=O)[O-]	5751675	KHUHJMXIOOBDQH-MWLCHTKSSA-N	223.276	0.941	5	30	BCBC	
O=c1nc[nH]c2cc(O)c([N+](=O)[O-])cc12	141899128	DGAQZMKEHDOLCK-UHFFFAOYSA-N	207.145	0.537	5	30	BCBC	
O=[N+]([O-])c1ccnn1CC1CCNCC1	567809338	QANJJSQEKUXWQV-UHFFFAOYSA-N	210.237	0.791	5	30	BCBC	
COC(=O)c1ccc(C(N)=O)cc1[N+](=O)[O-]	5701026	OYZKIZQJLPADLO-UHFFFAOYSA-N	224.172	0.480	5	30	BCBC	
COC(=O)c1cc(OC)ncc1[N+](=O)[O-]	261296735	OIPIEDISNYKPER-UHFFFAOYSA-N	212.161	0.785	5	30	BCBC	
COC(=O)c1ccn(C)c(=O)c1[N+](=O)[O-]	2524922	MCXWNRICJUWNJC-UHFFFAOYSA-N	212.161	0.080	5	30	BCBC	
O=[N+]([O-])c1ccc2c(c1)O[C@@H](CO)CO2	39276713	OTKMWYJAIRWTNV-ZETCQYMHSA-N	211.173	0.727	5	30	BCBC	in-vitro
O=[N+]([O-])c1ccc2c(c1)CS(=O)(=O)N2	34579395	VPLMOLMXEIOGBP-UHFFFAOYSA-N	214.202	0.850	5	30	BCBC	
NC[C@@H](C(=O)O)c1cccc([N+](=O)[O-])c1	66325599	VODQZOBRLBSVGX-MRVPVSSYSA-N	210.189	0.722	5	30	BCBC	
CCOC(=O)CCC(C)([N+](=O)[O-])[N+](=O)[O-]	19328179	GERAAQRTSQGECN-UHFFFAOYSA-N	220.181	0.599	5	30	BCBC	
C[C@@H](O)C(Br)([C@@H](C)O)[N+](=O)[O-]	34083735	XIAMXNMLRAUKOQ-QWWZWVQMSA-N	228.042	0.116	5	30	BCBC	
O=[N+]([O-])c1ccc(N2CCC[C@H](O)C2)nc1	24094119	JMXCMNLDBVQJLG-VIFPVBQESA-N	223.232	0.951	5	30	BCBC	
CS(=O)(=O)c1cc(N)c(O)cc1[N+](=O)[O-]	38171563	FXPKBSNHMBDDQW-UHFFFAOYSA-N	232.217	0.286	5	30	BCBC	
Cc1ccc(OCC(=O)O)c([N+](=O)[O-])n1	83256	JYFNYGFCJDNDSM-UHFFFAOYSA-N	212.161	0.762	5	30	BCBC	
CCc1cnc([N+](=O)[O-])n1CC(=O)NC	5115183	FCVKJABRPBJPHG-UHFFFAOYSA-N	212.209	0.100	5	30	BCBC