smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	100054430	ZGYPEQGKDCSRDU-VHSXEESVSA-N	332.272	-0.025	5	40	EBBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](NCCO)C(=O)O	39880774	MOHJNYCULHESCH-JTQLQIEISA-N	327.293	-0.033	5	40	EBBB	
NC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	46230547	GIHLIPFYMYVINL-QMMMGPOBSA-N	328.350	-0.056	5	40	EBBB	
Cn1c(Cn2cc([N+](=O)[O-])cc(Cl)c2=O)cc(=O)n(C)c1=O	78822888	LLHBSRHFAQONLB-UHFFFAOYSA-N	326.696	-0.144	5	40	EBBB	
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCCCO	8680371	WMRMTPJJHVJJNG-UHFFFAOYSA-N	337.292	-0.021	5	40	EBBB	
Cc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])cc1C	247852944	WIWAWODOHQOLFP-MBJXGIAVSA-N	328.321	-0.577	5	40	EBBB	
Nc1nc2c(ncn2S(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)[nH]1	16450540	XQZUEYDFYQQEHS-UHFFFAOYSA-N	336.289	-0.153	5	40	EBBB	
Nc1nc(NCCOCCO)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]	9161203	JGKGFSBPVWJYGU-SECBINFHSA-N	342.356	-0.021	5	40	EBBB	
COC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@H]12	100166097	SOOULXXOYSGMCC-UWVGGRQHSA-N	348.271	-0.406	5	40	EBBB	
C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23	256429198	LHVAZUAALQTANZ-CYRWULLRSA-N	341.360	-0.380	5	40	EBBB	
O=C(O)CNS(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	3887563	QUUHIZOJKWVOKD-UHFFFAOYSA-N	345.333	-0.206	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	575422289	UOGXRXJWEZHMAQ-STQMWFEESA-N	330.362	-0.453	5	40	EBBB	
COc1ccc([N+](=O)[O-])c(C(=O)NCc2cc(=O)n(C)c(=O)n2C)c1	72298258	FLJXJUFHLSOZCD-UHFFFAOYSA-N	348.315	-0.069	5	40	EBBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(=O)n(C)c(=O)n1C	72298256	OUQZESWZBWPSMF-UHFFFAOYSA-N	348.315	-0.069	5	40	EBBB	
COC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	2186370	QZOXTAZLLLZYAE-NWDGAFQWSA-N	329.265	-0.689	5	40	EBBB	
COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	4380623	SSSSKXJNQLYSNI-LKFCYVNXSA-N	332.272	-0.025	5	40	EBBB	
COC(=O)C1=C[C@]2([N+](=O)[O-])CN(CC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	100083630	QZOXTAZLLLZYAE-VXGBXAGGSA-N	329.265	-0.689	5	40	EBBB	
Cc1ccc(OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c([N+](=O)[O-])n1	9130883	GJMTYCZWGYYWEG-UHFFFAOYSA-N	349.303	-0.460	5	40	EBBB	
Cc1n(O)c2c(c3c(c4c2[n+]([O-])c(C)n4O)[n+]([O-])c(C)n3O)[n+]1[O-]	13302031	PBGDULLBTKPYRN-UHFFFAOYSA-N	336.264	-0.912	5	40	EBBB	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	100054433	ZGYPEQGKDCSRDU-NXEZZACHSA-N	332.272	-0.025	5	40	EBBB	
C[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	4990627	LHVAZUAALQTANZ-DZIFAQNXSA-N	341.360	-0.380	5	40	EBBB	
C[C@@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	4990626	LHVAZUAALQTANZ-NAOKIEPVSA-N	341.360	-0.380	5	40	EBBB	
O=C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C2(CCCCC2)C(=O)N1	69780645	LQLYGZMYOVCXSR-UHFFFAOYSA-N	336.308	-0.626	5	40	EBBB	
CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1	6313141	ARBDNIVFGWVKAW-UHFFFAOYSA-N	328.350	-0.089	5	40	EBBB	
O=C(Cn1cnc([N+](=O)[O-])c1)N(C1CC1)[C@H]1CCS(=O)(=O)C1	25586562	FSEGWVNZWNSUHP-JTQLQIEISA-N	328.350	-0.031	5	40	EBBB	
C[C@@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	5208224	ASLANYWDKQVZPR-VMHBHNRLSA-N	340.396	-0.248	5	40	EBBB	
Cn1c(N)c(C(=O)COc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O	6547754	VNPXOWCOHOVEDN-UHFFFAOYSA-N	334.288	-0.164	5	40	EBBB	
CS(=O)(=O)N1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1	38680440	VRHXVTQRDVGGJO-UHFFFAOYSA-N	346.365	-0.505	5	40	EBBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N[C@@H]1CCS(=O)(=O)C1	8684898	HSJCIUDXLNMNBA-SSDOTTSWSA-N	332.290	-0.352	5	40	EBBB	
C[C@@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	4990628	LHVAZUAALQTANZ-DUIPJSIOSA-N	341.360	-0.380	5	40	EBBB	
COC(=O)C1=C[C@]2([N+](=O)[O-])CN(CC(=O)O)C[C@]([N+](=O)[O-])(C1)C2	8426082	QZOXTAZLLLZYAE-NEPJUHHUSA-N	329.265	-0.689	5	40	EBBB	
Cc1ccc(OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1	5992611	YSIFTBIRLPBDHP-SECBINFHSA-N	329.334	-0.020	5	40	EBBB	
NS(=O)(=O)c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1	12374582	GPUZATWHVCUXHN-UHFFFAOYSA-N	326.294	-0.528	5	40	EBBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2n[nH]c(=O)[nH]c2=O)CC1	13637320	XPFRJQWJILNOMC-UHFFFAOYSA-N	346.303	-0.671	5	40	EBBB	
COCCNC(=O)COC(=O)C[C@@H]1C(=O)C[C@H](C)[C@@H]1C[N+](=O)[O-]	14138716	SPABQQAAIQXNMR-DCAQKATOSA-N	330.337	-0.200	5	40	EBBB	
CC(C)NC(=O)CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N	9339005	WMVATHIGQWSQLA-UHFFFAOYSA-N	338.320	-0.025	5	40	EBBB	
CC(COC(=S)OCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	73351367	LQWOYVONCHRVBI-UHFFFAOYSA-N	342.242	-0.156	5	40	EBBB	
COC(=O)CS(=O)(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	1794486	HKKLFINOUBKXPO-UHFFFAOYSA-N	337.331	-0.055	5	40	EBBB	
CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCS(=O)(=O)C1	5038993	MUDBWLVWEUMMFB-LLVKDONJSA-N	343.361	-0.208	5	40	EBBB	
CS(=O)(=O)NCCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1	69844102	GCWSYKKOHOBLPU-UHFFFAOYSA-N	329.382	-0.339	5	40	EBBB	
CC(CN(CC(C)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	100495023	UGOPZXCLZKDIKQ-UHFFFAOYSA-N	326.178	-0.981	5	40	EBBB	
C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	256429208	LHVAZUAALQTANZ-WPOLZPSNSA-N	341.360	-0.380	5	40	EBBB	
CS(=O)(=O)c1ccc(N2CCN[C@H](C(N)=O)C2)c([N+](=O)[O-])c1	57452094	GQARYIJZACVUFG-VIFPVBQESA-N	328.350	-0.738	5	40	EBBB	
O=C(O)CCN1C[C@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2C(=O)O)C1	100135020	KCONSEYJHJEESG-VXGBXAGGSA-N	329.265	-0.388	5	40	EBBB	
O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O	575420092	FKXHGBJUPDYICU-NWDGAFQWSA-N	344.345	-0.361	5	40	EBBB	
O=C(COC(=O)c1c[nH]c(=O)[nH]c1=O)Nc1cccc([N+](=O)[O-])c1	2638204	FTHKCTBVAMXRML-UHFFFAOYSA-N	334.244	-0.233	5	40	EBBB	
CCN1CCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	5033251	XSUQDTOPZOFICM-UHFFFAOYSA-N	337.384	-0.055	5	40	EBBB	
O=C(Cn1cccnc1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	25152610	IZPKWMJTHMYMDF-UHFFFAOYSA-N	344.331	-0.105	5	40	EBBB	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCOCC1	15208307	BHFJAMACHSQWIU-UHFFFAOYSA-N	330.366	-0.014	5	40	EBBB	
Cn1c(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc(=O)n(C)c1=O	10619882	SGTVJDOSUSUZGQ-UHFFFAOYSA-N	344.283	-0.212	5	40	EBBB	
Cn1cnc([N+](=O)[O-])c1N1CCN([C@H]2CCS(=O)(=O)C2)CC1	44874444	OACIJGGAKKTENO-JTQLQIEISA-N	329.382	-0.363	5	40	EBBB	
CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-]	65564575	VTHIKCTZIGCLHY-ZDUSSCGKSA-N	348.359	-0.010	5	40	EBBB	
Cc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])n1	5970159	YSIFTBIRLPBDHP-VIFPVBQESA-N	329.334	-0.020	5	40	EBBB	
CS(=O)(=O)N1CCC(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1	17071985	ZHIXKLOANMOXBD-UHFFFAOYSA-N	345.381	-0.421	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)cc1	575422288	UOGXRXJWEZHMAQ-QWHCGFSZSA-N	330.362	-0.453	5	40	EBBB	
COC(=O)CS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(N)=O	3670017	QOKHIZVXLFRXOD-UHFFFAOYSA-N	347.261	-0.451	5	40	EBBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O	95455719	YDJNJMXUNJGHAE-SNVBAGLBSA-N	329.334	-0.222	5	40	EBBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(CC(=O)N2CCOCC2)CC1	95962335	GYCUIINARWSJLN-UHFFFAOYSA-N	338.368	-0.691	5	40	EBBB	
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ccc3nnnn3n2)cc1	12804260	JGXFCTDTSNKCAZ-MFKMUULPSA-N	331.292	-0.066	5	40	EBBB	
Nc1nc(NCCN2CCOCC2)nc(NCCO)c1[N+](=O)[O-]	20502439	SRKSVBCTLRCHNO-UHFFFAOYSA-N	327.345	-0.885	5	40	EBBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@@H](O)CO)CC2)c1	84379959	INJKGHSDITUVPB-GFCCVEGCSA-N	345.377	-0.746	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	101012664	SCFRDJVEDKXJOP-PSASIEDQSA-N	347.243	-0.021	5	40	EBBB	
Cc1nn(CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(C)c1[N+](=O)[O-]	13130745	RPNAQVQPKQHGIN-UHFFFAOYSA-N	336.308	-0.729	5	40	EBBB	
O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	575420093	FKXHGBJUPDYICU-RYUDHWBXSA-N	344.345	-0.361	5	40	EBBB	
C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23	256429204	LHVAZUAALQTANZ-TZRCEYMBSA-N	341.360	-0.380	5	40	EBBB	
O=C(O)CCN1C[C@]2([N+](=O)[O-])CC=C(OCCO)[C@]([N+](=O)[O-])(C1)C2	12362984	JTAPXUXKTORBBV-QWHCGFSZSA-N	345.308	-0.506	5	40	EBBB	
O=C1N=c2ccc([N+](=O)[O-])cc2=C1NNC(=S)NC[C@@H]1CCCO1	100563560	HBWHEPPUFSMIOX-VIFPVBQESA-N	349.372	-0.990	5	40	EBBB	
CC(C)C[C@H](CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	69846177	XFJLCYHAYOZKJN-JCIQBVFBSA-N	342.352	-0.036	5	40	EBBB	
CC(C)(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)N1CCOCC1	30013585	NSVOJUTZCKGBIB-UHFFFAOYSA-N	338.364	-0.017	5	40	EBBB	
COC(=O)C1=NN[C@H]2C(=O)N(c3ccc(OC)cc3[N+](=O)[O-])C(=O)[C@@H]12	100166100	SOOULXXOYSGMCC-NXEZZACHSA-N	348.271	-0.406	5	40	EBBB	
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc3nnnn3n2)cc1	12804281	JGXFCTDTSNKCAZ-ZWNOBZJWSA-N	331.292	-0.066	5	40	EBBB	
C[C@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	253666487	LHVAZUAALQTANZ-BUASCMBYSA-N	341.360	-0.380	5	40	EBBB	biogenic,in-vitro
Cn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O	12647538	RHQLTXWDELCZFK-UHFFFAOYSA-N	340.317	-0.207	5	40	EBBB	
CCNC(=O)N[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1OC	585087017	PDMXLWYOPQPCAN-GHMZBOCLSA-N	340.340	-0.664	5	40	EBBB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCOC[C@H]1C(N)=O	95455720	YDJNJMXUNJGHAE-JTQLQIEISA-N	329.334	-0.222	5	40	EBBB	
CNc1nccc(C(=O)N2CCC[C@H]2CS(N)(=O)=O)c1[N+](=O)[O-]	574821568	KRKUAVVKGHVZCZ-QMMMGPOBSA-N	343.365	-0.075	5	40	EBBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@H]2CCCCN2CCO)c1	573967433	WWCQEGWALROPNY-OCCSQVGLSA-N	327.385	-0.411	5	40	EBBB	
Nc1c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)nc(O)[nH]c1=O	3434377	ASQPFRSBXFPNGJ-UHFFFAOYSA-N	349.259	-0.239	5	40	EBBB	
CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	26483783	HZZYZGMGEZDRHX-JTQLQIEISA-N	336.352	-0.044	5	40	EBBB	
C[C@@H]1C(=O)O[C@@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23	256429192	LHVAZUAALQTANZ-AAJMITALSA-N	341.360	-0.380	5	40	EBBB	
CCOc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	3898622	WBWUDFNTAWEUMS-MRTXSQPYSA-N	344.320	-0.795	5	40	EBBB	
O=[N+]([O-])c1ccc(CNCCN[C@H]2CS(=O)(=O)C[C@@H]2O)cc1	575419947	BKKULMLUTBLNDS-STQMWFEESA-N	329.378	-0.568	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(C[C@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	575420413	HSHGIAOSBZIRQZ-KBPBESRZSA-N	344.389	-0.063	5	40	EBBB	
O=C(O)COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CO	725412133	ZMLMWGWSBXPXJC-JTQLQIEISA-N	326.261	-0.758	5	40	EBBB	
CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)Cc1ccccc1[N+](=O)[O-]	65564577	VTHIKCTZIGCLHY-CYBMUJFWSA-N	348.359	-0.010	5	40	EBBB	
O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@@H]2CCCCN2CCO)c1	573967428	WWCQEGWALROPNY-GXTWGEPZSA-N	327.385	-0.411	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	575422282	UOGXRXJWEZHMAQ-CHWSQXEVSA-N	330.362	-0.453	5	40	EBBB	
CCOc1ccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3999697	WBWUDFNTAWEUMS-DGTMBMJNSA-N	344.320	-0.795	5	40	EBBB	biogenic
COC(=O)C1=NN[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	100568128	AVLIIDGTGZSEEU-ZJUUUORDSA-N	332.272	-0.107	5	40	EBBB	
O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	575420094	FKXHGBJUPDYICU-VXGBXAGGSA-N	344.345	-0.361	5	40	EBBB	
COCCNC(=O)COC(=O)C[C@@H]1C(=O)C[C@H](C)[C@H]1C[N+](=O)[O-]	5683339	SPABQQAAIQXNMR-GARJFASQSA-N	330.337	-0.200	5	40	EBBB	
Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CCS(=O)(=O)CC1	58379451	GDLYHTSBGLHCMX-UHFFFAOYSA-N	342.377	-0.242	5	40	EBBB	
O=C(O)CCN1C[C@@]2([N+](=O)[O-])C=C(C(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	34746972	RIBPABKPZZQQSZ-NEPJUHHUSA-N	329.265	-0.388	5	40	EBBB	
Nc1c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(=O)[nH]c(=O)n1C1CC1	12980603	PEBGIRUWKCZFKG-UHFFFAOYSA-N	347.287	-0.594	5	40	EBBB	
O=C(O)CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	575420091	FKXHGBJUPDYICU-NEPJUHHUSA-N	344.345	-0.361	5	40	EBBB	
CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)CC1	5050734	ZYZJGOGOFITOQT-UHFFFAOYSA-N	337.384	-0.055	5	40	EBBB	
COC[C@](C)(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(N)=O	71900703	IHBMXHBXSLHYQN-LBPRGKRZSA-N	347.349	-0.228	5	40	EBBB	
CCOc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3898625	WBWUDFNTAWEUMS-MQLXINIDSA-N	344.320	-0.795	5	40	EBBB	
COC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	15022439	QXOOGOHQMFCNBK-QWHCGFSZSA-N	343.292	-0.299	5	40	EBBB	
Cn1c(=O)c2c(ncn2CCn2cc([N+](=O)[O-])ccc2=O)n(C)c1=O	31672127	ONGLQADZQPMEFO-UHFFFAOYSA-N	346.303	-0.796	5	40	EBBB	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2F)c([N+](=O)[O-])c1	4475142	UFSBFVZQJZMIOU-LZQZFOIKSA-N	348.239	-0.341	5	40	EBBB	in-vivo
O=[N+]([O-])c1ccc(CNCCN[C@@H]2CS(=O)(=O)C[C@H]2O)cc1	575419944	BKKULMLUTBLNDS-CHWSQXEVSA-N	329.378	-0.568	5	40	EBBB	
Cn1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	223312598	VXUBXWOMBOBJEC-UHFFFAOYSA-N	340.317	-0.207	5	40	EBBB	
Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	44874439	OACIJGGAKKTENO-SNVBAGLBSA-N	329.382	-0.363	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	100998528	OGCALFNBWPKJQV-PSASIEDQSA-N	347.243	-0.021	5	40	EBBB	
CS(=O)(=O)c1ccc(N2CCN[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1	57452095	GQARYIJZACVUFG-SECBINFHSA-N	328.350	-0.738	5	40	EBBB	
CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	26483776	HZZYZGMGEZDRHX-SNVBAGLBSA-N	336.352	-0.044	5	40	EBBB	
O=c1c2cc3c(=O)n(-n4cnnc4)ccc3nc2ccn1-c1ncn[nH]1	40372888	TUVKRQCKKAXMFG-UHFFFAOYSA-N	347.298	-0.278	5	40	EBBB	
CCOc1ccc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	3898623	WBWUDFNTAWEUMS-RYMFRWLXSA-N	344.320	-0.795	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	9328167	SCFRDJVEDKXJOP-WPRPVWTQSA-N	347.243	-0.021	5	40	EBBB	
O=C(O)CCN1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@]([N+](=O)[O-])(C1)C2	100145262	JTAPXUXKTORBBV-CHWSQXEVSA-N	345.308	-0.506	5	40	EBBB	
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ccc3nnnn3n2)cc1	12804295	JGXFCTDTSNKCAZ-GXFFZTMASA-N	331.292	-0.066	5	40	EBBB	
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ccc3nnnn3n2)cc1	12804270	JGXFCTDTSNKCAZ-GWCFXTLKSA-N	331.292	-0.066	5	40	EBBB	
O=C(OCC(F)([N+](=O)[O-])[N+](=O)[O-])OCC(F)([N+](=O)[O-])[N+](=O)[O-]	73337075	BPMXMXFLNKOZJI-UHFFFAOYSA-N	334.100	-0.507	5	40	EBBB	
CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCS(=O)(=O)C1	5038994	MUDBWLVWEUMMFB-NSHDSACASA-N	343.361	-0.208	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	9328166	SCFRDJVEDKXJOP-WCBMZHEXSA-N	347.243	-0.021	5	40	EBBB	
Cn1cnc([N+](=O)[O-])c1N1CCN(CCN2C(=O)CCC2=O)CC1	29824561	BEWISSMEHDSTDH-UHFFFAOYSA-N	336.352	-0.401	5	40	EBBB	
COC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@]([N+](=O)[O-])(C1)C2	100211178	QXOOGOHQMFCNBK-STQMWFEESA-N	343.292	-0.299	5	40	EBBB	
C[C@@H]1C(=O)O[C@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	5208227	ASLANYWDKQVZPR-PLIVUGFUSA-N	340.396	-0.248	5	40	EBBB	
Nn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O	40398638	IYYMMWABCUJMPF-UHFFFAOYSA-N	341.371	-0.243	5	40	EBBB	
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])n(CC(C)=O)n1	2545753	ZHSFTMAABDJPJC-UHFFFAOYSA-N	338.240	-0.469	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(C[C@@H](O)CO)[C@H]2CCS(=O)(=O)C2)cc1	575420415	HSHGIAOSBZIRQZ-UONOGXRCSA-N	344.389	-0.063	5	40	EBBB	
Cn1c(COC(=O)c2cc([N+](=O)[O-])ccc2N)cc(=O)n(C)c1=O	11393491	UNPSESIEPQXIEA-UHFFFAOYSA-N	334.288	-0.069	5	40	EBBB	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	100510427	UZVJOFBDWHHNLZ-VHSXEESVSA-N	332.272	-0.025	5	40	EBBB	
Nc1nc(NCCOCCO)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-]	9159956	JGKGFSBPVWJYGU-VIFPVBQESA-N	342.356	-0.021	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	100998534	OGCALFNBWPKJQV-SCZZXKLOSA-N	347.243	-0.021	5	40	EBBB	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCO)c1=N	100938224	DUDWJZFNEXGVHW-UHFFFAOYSA-N	327.344	-0.211	5	40	EBBB	
Cc1nnc2n(N)c(=O)c(CC(=O)c3cccc([N+](=O)[O-])c3)nn12	25573860	ZQTGBVDUXXIAFA-UHFFFAOYSA-N	329.276	-0.358	5	40	EBBB	
O=[N+]([O-])c1cnn(C[C@H](O)CNC[C@H]2CCCCN2CCO)c1	573967434	WWCQEGWALROPNY-TZMCWYRMSA-N	327.385	-0.411	5	40	EBBB	
O=C(O)CCN1C[C@]2([N+](=O)[O-])CC=C(C(=O)O)[C@]([N+](=O)[O-])(C1)C2	36033916	KCONSEYJHJEESG-NWDGAFQWSA-N	329.265	-0.388	5	40	EBBB	
CN1CCN(c2nc(NCCOCCO)nc(N)c2[N+](=O)[O-])CC1	9159588	JXUFSXGRUBMXSD-UHFFFAOYSA-N	341.372	-0.860	5	40	EBBB	
COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	4380622	SSSSKXJNQLYSNI-XPTSAGLGSA-N	332.272	-0.025	5	40	EBBB	
C[C@H]1C(=O)O[C@H]2CC[N@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	1565750557	LHVAZUAALQTANZ-BQWBZXSVSA-N	341.360	-0.380	5	40	EBBB	
COC(=O)CCNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	9913750	RNDDASVNNNCLLT-UHFFFAOYSA-N	334.288	-0.016	5	40	EBBB	
O=[N+]([O-])c1ccc(CNCCN[C@H]2CS(=O)(=O)C[C@H]2O)cc1	575419946	BKKULMLUTBLNDS-QWHCGFSZSA-N	329.378	-0.568	5	40	EBBB	
CO[C@H]1O[C@H](C[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5063638	FHMUFHLTUMHQDB-MLGHIDQZSA-N	349.292	-0.571	5	40	EBBB	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c1	59859744	PJCVBKZRKNFZOD-RMPHRYRLSA-N	335.696	-0.573	5	40	EBBB	in-vitro
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	100054431	ZGYPEQGKDCSRDU-UWVGGRQHSA-N	332.272	-0.025	5	40	EBBB	
CNc1nccc(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1[N+](=O)[O-]	574821567	KRKUAVVKGHVZCZ-MRVPVSSYSA-N	343.365	-0.075	5	40	EBBB	
CCOc1ccc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3898624	WBWUDFNTAWEUMS-ZSLBOAEBSA-N	344.320	-0.795	5	40	EBBB	
O=[N+]([O-])c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(Cl)c1	22054772	PJCVBKZRKNFZOD-GCHJQGSQSA-N	335.696	-0.573	5	40	EBBB	
Nc1nc2c(ncn2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)[nH]1	8453434	WTWIRABUQKUPFX-UHFFFAOYSA-N	336.289	-0.153	5	40	EBBB	
Cc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])cc1C	247852950	WIWAWODOHQOLFP-XVIXHAIJSA-N	328.321	-0.577	5	40	EBBB	
O=C(O)CCN1C[C@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	100145256	JTAPXUXKTORBBV-STQMWFEESA-N	345.308	-0.506	5	40	EBBB	
COCCNC(=O)COC(=O)C[C@@H]1C(=O)C[C@@H](C)[C@H]1C[N+](=O)[O-]	5683336	SPABQQAAIQXNMR-OUAUKWLOSA-N	330.337	-0.200	5	40	EBBB	
CN(C)C(=O)CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	20669481	KCDUJEXDGVHTBQ-UHFFFAOYSA-N	335.364	-0.096	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	575422283	UOGXRXJWEZHMAQ-OLZOCXBDSA-N	330.362	-0.453	5	40	EBBB	
COC(=O)[C@]1(Sc2ccccc2[N+](=O)[O-])OC[C@@H](O)[C@@H](O)[C@@H]1O	16189892	UAHJQXFWYLQDEJ-GOONRYMUSA-N	345.329	-0.331	5	40	EBBB	
O=[N+]([O-])c1ccc(N2CC(O)C2)c(S(=O)(=O)N2CCOCC2)c1	57839130	UKSVBKNNMZIYBO-UHFFFAOYSA-N	343.361	-0.203	5	40	EBBB	
O=[N+]([O-])c1cc2[nH]c(O)nc2c([N+](=O)[O-])c1CN(CCO)CCO	32099391	MAELELHKSHSYHO-UHFFFAOYSA-N	341.280	-0.129	5	40	EBBB	
NC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1	46230548	GIHLIPFYMYVINL-MRVPVSSYSA-N	328.350	-0.056	5	40	EBBB	
CO[C@H]1O[C@@H](C[N+](=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5063636	FHMUFHLTUMHQDB-YYHQMBLXSA-N	349.292	-0.571	5	40	EBBB	
O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2F)c([N+](=O)[O-])c1	33903570	UFSBFVZQJZMIOU-RMPHRYRLSA-N	348.239	-0.341	5	40	EBBB	in-vitro
COC(=O)C1=NN[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	100568131	AVLIIDGTGZSEEU-NXEZZACHSA-N	332.272	-0.107	5	40	EBBB	
Cc1ccc(S(=O)(=O)N2CN3CNC[C@@]([N+](=O)[O-])(C3)C2)cc1	19325839	HNDLXUFKOSZLOB-CYBMUJFWSA-N	326.378	-0.165	5	40	EBBB	
Cc1nc(N2CCOCC2)nc(N(CCO)CCO)c1[N+](=O)[O-]	4364996	PDOWVDDFBBADHU-UHFFFAOYSA-N	327.341	-0.679	5	40	EBBB	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	18006944	ZGYPEQGKDCSRDU-ZJUUUORDSA-N	332.272	-0.025	5	40	EBBB	
CC(C)[C@](C)(CNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	72283528	IVAAURFTGGUKKL-WCCFOQQASA-N	342.352	-0.036	5	40	EBBB	
O=C1N=c2ccccc2=C1NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	6062568	XLVYMOZJSCGTEU-UHFFFAOYSA-N	346.324	-0.654	5	40	EBBB	
COC(=O)CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	3061413	FIZDRWXOPNKPEB-UHFFFAOYSA-N	331.306	-0.838	5	40	EBBB	
CCOC(=O)[C@H](Nc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)C(C)C	4114234	XAEMVSDGQQSGIJ-MRVPVSSYSA-N	328.325	-0.008	5	40	EBBB	
CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCN(C)CC3)n2)CC1	5119829	UEKWTTNJIUMXEB-UHFFFAOYSA-N	336.400	-0.529	5	40	EBBB	
O=[N+]([O-])c1cnn(C[C@@H](O)CNC[C@@H]2CCCCN2CCO)c1	573967432	WWCQEGWALROPNY-JSGCOSHPSA-N	327.385	-0.411	5	40	EBBB	
O=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)[nH]1	10220798	RMTUHSUWFYOMIK-UHFFFAOYSA-N	330.253	-0.089	5	40	EBBB	
COC(=O)CNC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	3061407	OVAWBDLQUPOLHE-UHFFFAOYSA-N	331.306	-0.838	5	40	EBBB	
CS(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	16738359	GYWRHUVLCZSUIL-UHFFFAOYSA-N	328.350	-0.225	5	40	EBBB	
CC(=O)N1CC2([N+](=O)[O-])CN(C(C)=O)CC([N+](=O)[O-])(C1)C2(C)C	4311370	NHNWMGAPTRPYJZ-UHFFFAOYSA-N	328.325	-0.232	5	40	EBBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C[C@H](O)CO)CC2)c1	84379956	INJKGHSDITUVPB-LBPRGKRZSA-N	345.377	-0.746	5	40	EBBB	
CN(c1c(N)nc(N)nc1N)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	5479416	OBMNDZGSSSNEHT-UHFFFAOYSA-N	339.337	-0.044	5	40	EBBB	
COC[C@@](C)(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(N)=O	71900702	IHBMXHBXSLHYQN-GFCCVEGCSA-N	347.349	-0.228	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	100998541	OGCALFNBWPKJQV-WCBMZHEXSA-N	347.243	-0.021	5	40	EBBB	
Cn1c(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc(=O)n(C)c1=O	10618178	QLAVEEPHQMRUSZ-UHFFFAOYSA-N	343.299	-0.250	5	40	EBBB	
Cn1c(COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc(=O)n(C)c1=O	11298187	OVNWJNKVVVRLLT-UHFFFAOYSA-N	334.288	-0.069	5	40	EBBB	
CC(=O)Cn1nc([N+](=O)[O-])nc1-c1nc([N+](=O)[O-])nn1CC(C)=O	2750038	DKFQXWPTSSQGGN-UHFFFAOYSA-N	338.240	-0.469	5	40	EBBB	
C[C@H]1C(=O)O[C@H]2CC[N@@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	1565750558	LHVAZUAALQTANZ-RTOWHDQWSA-N	341.360	-0.380	5	40	EBBB	
Cc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C	247852948	WIWAWODOHQOLFP-XHJNMGKDSA-N	328.321	-0.577	5	40	EBBB	
CO[C@H]1O[C@@H](C[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5063635	FHMUFHLTUMHQDB-CLPYTZEMSA-N	349.292	-0.571	5	40	EBBB	
COC(=O)C1=NN[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	100568129	AVLIIDGTGZSEEU-UWVGGRQHSA-N	332.272	-0.107	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(C[C@@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	575420416	HSHGIAOSBZIRQZ-ZIAGYGMSSA-N	344.389	-0.063	5	40	EBBB	
CCOC(=O)[C@@H](Nc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)C(C)C	4114235	XAEMVSDGQQSGIJ-QMMMGPOBSA-N	328.325	-0.008	5	40	EBBB	
Nc1nc(NCCCN2CCOCC2)nc(NCCO)c1[N+](=O)[O-]	20358279	RYOUJPBAONDIBR-UHFFFAOYSA-N	341.372	-0.495	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	101012667	SCFRDJVEDKXJOP-SCZZXKLOSA-N	347.243	-0.021	5	40	EBBB	
O=c1[nH]c(O)nc2c1ncn2S(=O)(=O)c1ccc([N+](=O)[O-])cc1	16429302	VAOYZVWZWAPJIG-UHFFFAOYSA-N	337.273	-0.030	5	40	EBBB	
O=C(O)CCN1C[C@@]2([N+](=O)[O-])C[C@]([N+](=O)[O-])(CC=C2OCCO)C1	3626532	JTAPXUXKTORBBV-OLZOCXBDSA-N	345.308	-0.506	5	40	EBBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](NCCO)C(=O)O	39880775	MOHJNYCULHESCH-SNVBAGLBSA-N	327.293	-0.033	5	40	EBBB	
COC(=O)C1=NN[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	4104531	AVLIIDGTGZSEEU-VHSXEESVSA-N	332.272	-0.107	5	40	EBBB	
CN(C)c1ccc(C(=O)NCCNS(C)(=O)=O)cc1[N+](=O)[O-]	29678990	MBPTZBMQSZBQKU-UHFFFAOYSA-N	330.366	-0.060	5	40	EBBB	
Cc1cc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C	247852940	WIWAWODOHQOLFP-IKOXMDCHSA-N	328.321	-0.577	5	40	EBBB	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	100510434	UZVJOFBDWHHNLZ-NXEZZACHSA-N	332.272	-0.025	5	40	EBBB	
CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1	9612706	PBKCVKPRAWZQHD-QMMMGPOBSA-N	346.317	-0.010	5	40	EBBB	
CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1	9612705	PBKCVKPRAWZQHD-MRVPVSSYSA-N	346.317	-0.010	5	40	EBBB	
O=C(Cn1cnc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1	25586554	FSEGWVNZWNSUHP-SNVBAGLBSA-N	328.350	-0.031	5	40	EBBB	
CCOc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	3999698	WBWUDFNTAWEUMS-PEBLQZBPSA-N	344.320	-0.795	5	40	EBBB	biogenic
O=c1[nH]c2cc([N+](=O)[O-])c(N(CCO)CCO)c([N+](=O)[O-])c2[nH]1	5596802	YKTFOXDSBGSDCM-UHFFFAOYSA-N	327.253	-0.536	5	40	EBBB	
CCS(=O)(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	2730991	PRFMWQALNOAERZ-UHFFFAOYSA-N	331.354	-0.715	5	40	EBBB	
C[C@H]1C(=O)O[C@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	5208228	ASLANYWDKQVZPR-UUDONXOHSA-N	340.396	-0.248	5	40	EBBB	
Nc1nc(NCCOCCO)nc(N2CCOCC2)c1[N+](=O)[O-]	9161394	FSECQEASMRKSIN-UHFFFAOYSA-N	328.329	-0.776	5	40	EBBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)N[C@H]1CCS(=O)(=O)C1	8684899	HSJCIUDXLNMNBA-ZETCQYMHSA-N	332.290	-0.352	5	40	EBBB	
O=c1[nH]c2cc([N+](=O)[O-])cc(CNCP(=O)(O)O)c2[nH]c1=O	3924156	ABFMMCZFKUIJGQ-UHFFFAOYSA-N	330.193	-0.651	5	40	EBBB	investigational
CO[C@H]1O[C@H](C[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5063637	FHMUFHLTUMHQDB-VEGXAWMVSA-N	349.292	-0.571	5	40	EBBB	
COC(=O)C(NC(=O)COc1ccccc1[N+](=O)[O-])C(=O)OC	1578932	ZATJINSUCYSHLV-UHFFFAOYSA-N	326.261	-0.196	5	40	EBBB	
COC(=O)C1=C[C@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	100211182	QXOOGOHQMFCNBK-CHWSQXEVSA-N	343.292	-0.299	5	40	EBBB	
CCNC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1	26483931	QDVKHZYBFZSHJZ-UHFFFAOYSA-N	336.352	-0.043	5	40	EBBB	
CS(=O)(=O)NCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	32771350	MZNZLFTXASBFPI-UHFFFAOYSA-N	337.379	-0.188	5	40	EBBB	
COC(=O)C1=NN(N=O)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	18059870	OGCALFNBWPKJQV-WPRPVWTQSA-N	347.243	-0.021	5	40	EBBB	
CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCO)c1=N	100861802	ZLNPELQDAQXTAD-UHFFFAOYSA-N	327.344	-0.129	5	40	EBBB	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	4610899	UZVJOFBDWHHNLZ-ZJUUUORDSA-N	332.272	-0.025	5	40	EBBB	
O=[N+]([O-])c1ccc(CNCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)cc1	575419945	BKKULMLUTBLNDS-OLZOCXBDSA-N	329.378	-0.568	5	40	EBBB	
Cc1ccc(S(=O)(=O)N2CN3CNC[C@]([N+](=O)[O-])(C3)C2)cc1	19325836	HNDLXUFKOSZLOB-ZDUSSCGKSA-N	326.378	-0.165	5	40	EBBB	
CCS(=O)(=O)NCCNC(=O)Cc1ccc([N+](=O)[O-])c(N)c1	521396279	GWSXZXKXWJEIOW-UHFFFAOYSA-N	330.366	-0.225	5	40	EBBB	
O=[N+]([O-])c1ccc(CN(C[C@H](O)CO)[C@@H]2CCS(=O)(=O)C2)cc1	575420414	HSHGIAOSBZIRQZ-KGLIPLIRSA-N	344.389	-0.063	5	40	EBBB	
COC(=O)C1=C[C@]2([N+](=O)[O-])CN(CCC(=O)O)C[C@]([N+](=O)[O-])(C1)C2	33821811	QXOOGOHQMFCNBK-OLZOCXBDSA-N	343.292	-0.299	5	40	EBBB	
O=[N+]([O-])c1cc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)ccc1Cl	4064310	WOIMUEYYWUIYDQ-LDMBFOFVSA-N	334.712	-0.540	5	40	EBBB	
C[C@H]1C(=O)O[C@@H]2CC[N@@+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	253666493	LHVAZUAALQTANZ-KUDPWZCLSA-N	341.360	-0.380	5	40	EBBB	biogenic,in-vitro
C[C@H]1C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	5208225	ASLANYWDKQVZPR-NQGXOVPKSA-N	340.396	-0.248	5	40	EBBB	
O=C(O)CCN1C[C@]2([N+](=O)[O-])CC=C(C(=O)O)[C@@]([N+](=O)[O-])(C1)C2	100135010	KCONSEYJHJEESG-RYUDHWBXSA-N	329.265	-0.388	5	40	EBBB	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	100510430	UZVJOFBDWHHNLZ-UWVGGRQHSA-N	332.272	-0.025	5	40	EBBB	
O=C(O)CCN1C[C@@]2([N+](=O)[O-])CC=C(C(=O)O)[C@@]([N+](=O)[O-])(C1)C2	3624046	KCONSEYJHJEESG-NEPJUHHUSA-N	329.265	-0.388	5	40	EBBB	
COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	4380626	SSSSKXJNQLYSNI-YMTOWFKASA-N	332.272	-0.025	5	40	EBBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCN1C(=O)CSC1=O	8824990	LVMJGTILBVXZIS-UHFFFAOYSA-N	340.317	-0.432	5	40	EBBB	
C[C@H]1C(=O)O[C@H]2CC[N+]3([O-])CC=C(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23	4990630	LHVAZUAALQTANZ-UVRYVHFHSA-N	341.360	-0.380	5	40	EBBB	
CS(=O)(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	40556347	YAWNCYIGFRESIN-UHFFFAOYSA-N	343.365	-0.812	5	40	EBBB	
COC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CC(=O)O)C[C@]([N+](=O)[O-])(C1)C2	100083624	QZOXTAZLLLZYAE-RYUDHWBXSA-N	329.265	-0.689	5	40	EBBB	
CN(CC(=O)NC1CC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	14266733	HOBDGNCYWGQMSB-UHFFFAOYSA-N	328.350	-0.043	5	40	EBBB	
COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	4380624	SSSSKXJNQLYSNI-OTYXRUKQSA-N	332.272	-0.025	5	40	EBBB