smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	12384337	WGETYYLVMDBIRH-WBOJAVRRSA-N	365.338	0.981	5	50	FCBA	
O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cc(-n2cnnn2)ccc1F	124164282	ALZLQTPGPCPKMI-UHFFFAOYSA-N	361.297	0.728	5	50	FCBA	
NC1CCN([C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	170662885	VSYVZWDVPMUYPX-AWEZNQCLSA-N	354.432	0.781	5	50	FCBA	
CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	4844531	KDUZTGPEQGJQCJ-UHFFFAOYSA-N	370.431	0.368	5	50	FCBA	
NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	100835306	BGXUDJBSGVHBIX-FCIDVOKBSA-N	370.365	0.913	5	50	FCBA	
COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	3892999	VISKGSSBWOZKFY-MRVPVSSYSA-N	350.374	0.069	5	50	FCBA	
C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	257348720	IDIMIWQPUHURPV-CZAWZLPKSA-N	367.398	0.178	5	50	FCBA	biogenic,in-vitro
CCOC(=O)Cn1nc(C)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1C	1426756	NFKXRZXNQKWUBB-UHFFFAOYSA-N	350.335	0.806	5	50	FCBA	
COc1nn(CC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	1012166	ZJFHLLAXIBIYSQ-SNVBAGLBSA-N	351.241	0.659	5	50	FCBA	
COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1cc([N+](=O)[O-])cnc1O)C2	225467483	IJNYUKJSCFULAR-BJOHPYRUSA-N	351.315	0.347	5	50	FCBA	
C[C@@H]1C[C@H](O)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	170606328	FSBRFIIUBVQDBR-YPMHNXCESA-N	371.415	0.575	5	50	FCBA	
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	951791	CORKFCUEWUYNGO-LLVKDONJSA-N	358.310	0.976	5	50	FCBA	biogenic
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	100631970	LBCYYMHCYKZZAX-GRKFIILMSA-N	358.350	0.796	5	50	FCBA	
Cc1cccn2c(=O)c3cc(C(N)=O)c(=N)n(C[C@@H]4CCCO4)c3nc12	16732050	KWLNWWXZZKIQJN-NSHDSACASA-N	353.382	0.715	5	50	FCBA	
COC(=O)Cc1cc2c(c([N+](=O)[O-])c1)N(C(=O)CC[C@H](N)C(=O)O)CC2	6379578	MKQHLZBWZWCOSZ-NSHDSACASA-N	365.342	0.392	5	50	FCBA	
O=C(NC1CC1)C(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1	170607382	KKMXCBULBJDYBT-UHFFFAOYSA-N	350.350	0.657	5	50	FCBA	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(N2CCOCC2)c2nonc12	2780361	GJHSRPFLYHAGBN-UHFFFAOYSA-N	373.329	0.953	5	50	FCBA	
CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12	67673891	WPDXDZBBHQWCHM-BZNIZROVSA-N	364.405	0.969	5	50	FCBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1N=C(C(F)F)C[C@]1(O)C(F)F	1012128	RABHESGTEPMYLK-NSHDSACASA-N	353.232	0.907	5	50	FCBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	970803	RRXKPMUWICUYHO-UHFFFAOYSA-N	372.341	0.289	5	50	FCBA	
COc1nn(CC(=O)N2N=C(C(F)F)C[C@@]2(O)C(F)F)cc1[N+](=O)[O-]	1016003	OGZIVWOYXOYYON-LLVKDONJSA-N	369.231	0.607	5	50	FCBA	
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1[N+](=O)[O-]	940021	IYAUGRNXFJRNTF-LLVKDONJSA-N	358.310	0.976	5	50	FCBA	
CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=N	100678240	KYFHBTMOAYXZAC-UHFFFAOYSA-N	355.398	0.833	5	50	FCBA	
NC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	783807	OAGCFIROJIEIMV-SFHVURJKSA-N	369.333	0.887	5	50	FCBA	
CC1(C)O[C@H]2O[C@@H](C(=O)O)[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1	44124203	OWOZJHHYVKEASP-ZHSDAYTOSA-N	352.299	0.654	5	50	FCBA	
CC(C)[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)O	262849536	FVAPNWZZAHUZHA-ZDUSSCGKSA-N	373.387	0.441	5	50	FCBA	
CNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N	100627562	GTOGGJDUEUTXDU-UHFFFAOYSA-N	360.377	0.932	5	50	FCBA	
COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)O	9164626	GKLOIJOZDJAZNW-DUXPYHPUSA-N	363.282	0.614	5	50	FCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnc(N2CCNCC2)nc1	725374116	HZTLQYLLERDNFN-UHFFFAOYSA-N	364.387	0.595	5	50	FCBA	
COc1ccc(S(=O)(=O)n2[nH]c(=O)c(CCO)c2C)c([N+](=O)[O-])c1	12953266	GWQBQHMILIOQMO-UHFFFAOYSA-N	357.344	0.173	5	50	FCBA	
O=C(Cc1ccc2nonc2c1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	1875337010	NIQLDJHWIJSCGD-NVXWUHKLSA-N	372.337	0.884	5	50	FCBA	
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)n1	2780355	UVDVUUXKSFGHBU-UHFFFAOYSA-N	373.329	0.953	5	50	FCBA	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@@](O)(C(N)=O)C2)c1	285608300	UXMJNPISIAMXRR-INIZCTEOSA-N	351.359	0.511	5	50	FCBA	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NS(=O)(=O)C1(C)CC1	1875335431	IWWSGZHMVFHGPZ-UHFFFAOYSA-N	350.374	0.764	5	50	FCBA	
O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12375100	YXBXZRWKYDQTRW-UHFFFAOYSA-N	372.297	0.881	5	50	FCBA	
CC1(C)O[C@H]2O[C@H](C(=O)O)[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1	44124207	OWOZJHHYVKEASP-FBKDDSFISA-N	352.299	0.654	5	50	FCBA	
Cc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	6690887	BZMRLPNXCHHCAG-UHFFFAOYSA-N	357.388	0.386	5	50	FCBA	
CCn1c(=N)c(C(=O)N2CCOCC2)cc2c(=O)n3cccc(C)c3nc21	100627740	CWIIDOBXZXGCOK-UHFFFAOYSA-N	367.409	0.929	5	50	FCBA	
CNS(=O)(=O)NC1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1	225534158	MFLKVTJVZIQYNH-UHFFFAOYSA-N	362.383	0.765	5	50	FCBA	
CS(=O)(=O)CC[C@@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	2254178	OHLPHVAGZZSLMY-VIFPVBQESA-N	356.312	0.079	5	50	FCBA	
Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)NC1CCCC1	3624428	VCCMPFNBNCCGEJ-UHFFFAOYSA-N	366.407	0.514	5	50	FCBA	
CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	5101713	GYIMIFULGNCXBQ-VMUDFCTBSA-N	358.306	0.971	5	50	FCBA	
NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1	738445038	MNKDICLQXQLMLJ-LLVKDONJSA-N	357.344	0.186	5	50	FCBA	
Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1	170603373	VNFIWEQLSNJCKY-JTQLQIEISA-N	372.341	0.601	5	50	FCBA	
O=C(O)COCC(=O)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1	3618343	XTICOGVEBSWWSP-SNVBAGLBSA-N	360.344	0.080	5	50	FCBA	
Cc1cc([N+](=O)[O-])c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1Br	19926315	LSZRKFXYHZKZCR-SRVKXCTJSA-N	365.180	0.153	5	50	FCBA	
CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccc([N+](=O)[O-])cc3)(C2)C1	19312970	CRNDZTRFRUAGPE-UHFFFAOYSA-N	360.370	0.705	5	50	FCBA	
Cc1c(C(=O)N2CCCNC(=O)[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1	188088207	KKHJDBRUXPUMBP-NSHDSACASA-N	358.358	0.835	5	50	FCBA	
Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c([N+](=O)[O-])c1	9553830	ALXBVLGSCOZSGG-UHFFFAOYSA-N	372.341	0.289	5	50	FCBA	
NC(=O)[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1	477829837	YPWIECKCNOQJRA-KRWDZBQOSA-N	358.354	0.995	5	50	FCBA	
CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=N	100627980	SZHYJTDLFSOPAU-UHFFFAOYSA-N	355.398	0.915	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C=C[C@@]2(CO)O1	226072125	RJWYYAXLVRFRJK-IXKJSCDLSA-N	360.322	0.799	5	50	FCBA	
CC(C)CS(=O)(=O)c1ccc([C@]2(O)C[N@+](C)(CCO)CCO2)cc1	248171412	SFJSXWSZLJMWSG-ZWKOTPCHSA-N	358.480	0.731	5	50	FCBA	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCN(S(N)(=O)=O)CC1	225650191	KPCMUVFTLAAZIS-UHFFFAOYSA-N	358.376	0.015	5	50	FCBA	
Nc1cc(=O)n2c(n1)SC[C@@H]2CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	9614779	RCZJZIZQWWXEKZ-SECBINFHSA-N	368.396	0.854	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1	12384318	WGWCVBPRRCTFRR-WBOJAVRRSA-N	365.338	0.981	5	50	FCBA	
Cc1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1[N+](=O)[O-]	1217888	ZRHBSDIUOKBCAX-UHFFFAOYSA-N	372.341	0.289	5	50	FCBA	
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O	3620565	GOKNUOVAKSATPE-UHFFFAOYSA-N	370.329	0.418	5	50	FCBA	
COc1nn(CC(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)cc1[N+](=O)[O-]	1016002	OGZIVWOYXOYYON-NSHDSACASA-N	369.231	0.607	5	50	FCBA	
CN1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	20295915	DVYSGFDQVAOTPQ-UHFFFAOYSA-N	356.404	0.135	5	50	FCBA	
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	2950942	JRMDWEXKSKVBRW-UHFFFAOYSA-N	371.396	0.721	5	50	FCBA	
O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(S(=O)(=O)c2cccs2)CC1	13960059	ABGMHQQRJFTXMF-UHFFFAOYSA-N	371.400	0.526	5	50	FCBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	4112271	VCDLPXLMXOEGTN-UHFFFAOYSA-N	372.341	0.289	5	50	FCBA	biogenic
COc1ccc(CSCC(=O)NC[C@](C)(O)C(=O)O)cc1[N+](=O)[O-]	262571000	ZCNXXXGJTXZLRF-AWEZNQCLSA-N	358.372	0.788	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1	1205758	WGWCVBPRRCTFRR-LOUJCGABSA-N	365.338	0.981	5	50	FCBA	
CCCc1[nH]nc(C(=O)NC2CC(N(CC)CC(=O)O)C2)c1[N+](=O)[O-]	262748760	XTBUPNFAQHAVSF-UHFFFAOYSA-N	353.379	0.938	5	50	FCBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCC1)S(C)(=O)=O	1110737	YKKLUANNHBQQJX-UHFFFAOYSA-N	357.388	0.992	5	50	FCBA	
NC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CCCC2	2084142	LNKJHTBUOTUPNE-UHFFFAOYSA-N	350.360	0.864	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1	226072114	RJWYYAXLVRFRJK-GFOFROLCSA-N	360.322	0.799	5	50	FCBA	
CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	899498	NXTHRAWCNFHBCN-UHFFFAOYSA-N	363.417	0.251	5	50	FCBA	
CN1CCN(CC(=O)Nc2cc(N3CCOCC3)ccc2[N+](=O)[O-])CC1	4046635	UCOFVGLFYVVPCH-UHFFFAOYSA-N	363.418	0.617	5	50	FCBA	
CC1=NN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)B(O)c2ccsc21	195816656	JMCGUHFPHQBTFT-UHFFFAOYSA-N	351.174	0.772	5	50	FCBA	
C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	257348721	IDIMIWQPUHURPV-IKIBJPQVSA-N	367.398	0.178	5	50	FCBA	
O=C(NCCCN1CCCC1=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1	2782564	MDNQSNJKXYTOLN-UHFFFAOYSA-N	372.385	0.977	5	50	FCBA	
CC[C@]1(C)NC(=O)N(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1=O	170616389	MODFIIBKEVFLJR-AWEZNQCLSA-N	370.387	0.692	5	50	FCBA	
CN(c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-])S(C)(=O)=O	25668413	LYYRJAPWPIZMCL-UHFFFAOYSA-N	353.334	0.302	5	50	FCBA	
CCOC(=O)[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	725374423	LOESTFPFKVQVDM-OLZOCXBDSA-N	357.388	0.414	5	50	FCBA	
C[C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)O	274946840	FWJOSKFKXUHAQJ-MRVPVSSYSA-N	360.344	0.755	5	50	FCBA	
CN(CC(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	8885122	YIKPLZSYLBGERV-UHFFFAOYSA-N	359.360	0.137	5	50	FCBA	
COc1cc(CN2CCN(CCOCCO)CC2)cc([N+](=O)[O-])c1O	19606588	QGPPQUHAJKXDDL-UHFFFAOYSA-N	355.391	0.436	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(CO)C=C[C@@]2(C)O1	226072100	RJWYYAXLVRFRJK-CLROSIBMSA-N	360.322	0.799	5	50	FCBA	
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1[N+](=O)[O-]	940022	IYAUGRNXFJRNTF-NSHDSACASA-N	358.310	0.976	5	50	FCBA	
CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3ccccc3nc21	100681383	RONDZKWDQFQLNH-UHFFFAOYSA-N	355.398	0.915	5	50	FCBA	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=N	100627977	PICLWWWOQJOTMO-UHFFFAOYSA-N	355.398	0.833	5	50	FCBA	
C/C=C1/C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	257348722	IDIMIWQPUHURPV-JDSIRXQJSA-N	367.398	0.178	5	50	FCBA	biogenic,in-vitro
O=c1oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccccc12	1857525499	WNWBIUMUTUWNJA-OYNZLANYSA-N	374.345	0.125	5	50	FCBA	
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCCCN1CCOCC1	19790990	MEUNIWVFCUUZFY-UHFFFAOYSA-N	354.388	0.356	5	50	FCBA	
O=[N+]([O-])c1cc2c(cc1CN1CCN(CCOCCO)CC1)OCO2	2865250	OHWCXDXMANLNNM-UHFFFAOYSA-N	353.375	0.450	5	50	FCBA	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	100631976	LBCYYMHCYKZZAX-ZLUAVYQLSA-N	358.350	0.796	5	50	FCBA	
COC(=O)c1cc(NC(=O)CNC(=O)[C@@H](N)C(C)C)cc([N+](=O)[O-])c1	262257351	XGTYLYQBECWQHY-ZDUSSCGKSA-N	352.347	0.419	5	50	FCBA	
CCN(CC)C(=O)C1=C[C@@]2([N+](=O)[O-])CN(CC(=O)O)C[C@@]([N+](=O)[O-])(C1)C2	2883528	GXIANDPBTIBRQS-LSDHHAIUSA-N	370.362	0.006	5	50	FCBA	
COC(=O)CCCn1nc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1C	12446623	QLUFVLKVYJQVRH-UHFFFAOYSA-N	350.335	0.888	5	50	FCBA	
COCCCn1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O	36125556	AETUKIKUSZAHTG-UHFFFAOYSA-N	352.354	0.855	5	50	FCBA	
O=C(O)COCC(=O)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1	3618344	XTICOGVEBSWWSP-JTQLQIEISA-N	360.344	0.080	5	50	FCBA	
CC1=NCCN1S(=O)(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20390459	BTMDJEAVTJVFDT-UHFFFAOYSA-N	354.388	0.854	5	50	FCBA	
NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	100835309	BGXUDJBSGVHBIX-CHPZLBCBSA-N	370.365	0.913	5	50	FCBA	
CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC1	170610182	CSIDXNBFVDPVGY-UHFFFAOYSA-N	356.404	0.281	5	50	FCBA	
COc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OCC(=O)O	9235101	RJGQBXLNCXPQMA-AATRIKPKSA-N	363.282	0.614	5	50	FCBA	
Cn1c(O)nc(=O)c2nc(C[C@@H](O)c3cccc([N+](=O)[O-])c3)c(O)nc21	253536375	XRVUYMTZASNKJK-SNVBAGLBSA-N	359.298	0.319	5	50	FCBA	
Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCC[C@](O)(C(N)=O)C2)c1	285608302	UXMJNPISIAMXRR-MRXNPFEDSA-N	351.359	0.511	5	50	FCBA	
O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCn2ccnc21	1468300001	JFLNMSYREZZMTB-SNVBAGLBSA-N	365.371	0.331	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1	13598234	WGWCVBPRRCTFRR-WVZRYYJFSA-N	365.338	0.981	5	50	FCBA	
NC1CCN([C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	170662888	VSYVZWDVPMUYPX-CQSZACIVSA-N	354.432	0.781	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1	3903519	WGWCVBPRRCTFRR-CFAJVAMVSA-N	365.338	0.981	5	50	FCBA	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	100631967	LBCYYMHCYKZZAX-UROJTJOCSA-N	358.350	0.796	5	50	FCBA	
COC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	3107194	OIWIIIIMUJCZBC-UHFFFAOYSA-N	372.355	0.014	5	50	FCBA	
CCOC(=O)c1ccc(NCC(CNC(C)=O)([N+](=O)[O-])[N+](=O)[O-])cc1	19321211	JWDJXVACXGELBW-UHFFFAOYSA-N	354.319	0.661	5	50	FCBA	
O=C(NCC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1	156861904	SCPSGNTUAGIOCY-ZDUSSCGKSA-N	361.276	0.850	5	50	FCBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4046659	XMEJSPGVTGXLDU-UHFFFAOYSA-N	370.431	0.513	5	50	FCBA	
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	940023	UKYDDBTZWTVSKW-LLVKDONJSA-N	358.310	0.976	5	50	FCBA	
NC(=O)Cn1nc([N+](=O)[O-])nc1Oc1ccccc1C(=O)N1CCCC1	1059130	OJHNUMDBOIOOHN-UHFFFAOYSA-N	360.330	0.700	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	13597257	WGETYYLVMDBIRH-WVZRYYJFSA-N	365.338	0.981	5	50	FCBA	
Nc1cc(=O)n2c(n1)SC[C@H]2CS(=O)(=O)c1ccc([N+](=O)[O-])cc1	9614778	RCZJZIZQWWXEKZ-VIFPVBQESA-N	368.396	0.854	5	50	FCBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(CCO)CC1	1175968	GADOVFQRPJMFDG-UHFFFAOYSA-N	352.391	0.542	5	50	FCBA	
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(C)C3=O)[C@H]2C1	245329445	ZBYMYDKOQQZGAL-CXAGYDPISA-N	373.369	0.170	5	50	FCBA	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1	253427328	FGGVQUZADQDLQY-JTQLQIEISA-N	367.387	0.883	5	50	FCBA	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nccc(N3CCOCC3)n2)CC1	952894258	YBIHTCLJNFBFJA-ZIAGYGMSSA-N	361.402	0.684	5	50	FCBA	
Cc1cccn2c(=O)c3cc(C(N)=O)c(=N)n(C[C@H]4CCCO4)c3nc12	100675139	KWLNWWXZZKIQJN-LLVKDONJSA-N	353.382	0.715	5	50	FCBA	
COCCNC(=O)CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2862567	UQYYIDALIDEBKE-UHFFFAOYSA-N	359.404	0.758	5	50	FCBA	
Nc1nc(N2CCN(c3ccc([N+](=O)[O-])c(N)n3)CC2)ccc1[N+](=O)[O-]	227174056	JQURECHKLLODPT-UHFFFAOYSA-N	360.334	0.784	5	50	FCBA	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O	2845005	NDLHTNQLMRZREV-ZDUSSCGKSA-N	371.415	0.964	5	50	FCBA	
NC(=O)CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	783808	OAGCFIROJIEIMV-GOSISDBHSA-N	369.333	0.887	5	50	FCBA	
CC(C)C[C@H](NC(=O)CNC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O	263248251	GRLAFCGAFOMDDR-ZDUSSCGKSA-N	351.359	0.869	5	50	FCBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1N=C(C(F)F)C[C@@]1(O)C(F)F	1012129	RABHESGTEPMYLK-LLVKDONJSA-N	353.232	0.907	5	50	FCBA	
Cn1c(CN2CCN(S(C)(=O)=O)CC2)nc2cc([N+](=O)[O-])ccc21	13135689	MZLUODMFRLHJEC-UHFFFAOYSA-N	353.404	0.559	5	50	FCBA	
CCN1CCN(CCc2noc(-c3ccc([N+](=O)[O-])cc3)n2)C(=O)C1=O	170595972	GBPNMBOXRZBTEI-UHFFFAOYSA-N	359.342	0.878	5	50	FCBA	
CCCc1[nH]nc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1[N+](=O)[O-]	264617615	RNQFHNXNNNFMSH-UHFFFAOYSA-N	367.387	0.848	5	50	FCBA	
O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1n[nH]cc1[N+](=O)[O-]	13959797	UJDUODOMYCFVNM-UHFFFAOYSA-N	359.302	0.943	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	4099771	WGETYYLVMDBIRH-CFAJVAMVSA-N	365.338	0.981	5	50	FCBA	
COc1nn(CC(=O)N2N=C(C)C[C@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	1012165	ZJFHLLAXIBIYSQ-JTQLQIEISA-N	351.241	0.659	5	50	FCBA	
CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cccc2c(=O)c3ccccc3[nH]c12	67604696	WPDXDZBBHQWCHM-ZBEGNZNMSA-N	364.405	0.969	5	50	FCBA	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O	2755242	ASSPDGFYHVUQCP-UHFFFAOYSA-N	365.371	0.903	5	50	FCBA	
Cc1c(Cl)cc(S(=O)(=O)NC[C@](C)(O)C(=O)O)cc1[N+](=O)[O-]	262356936	VZNQXSACEXLPQG-NSHDSACASA-N	352.752	0.671	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](CC(=O)O)C(=O)O	274931998	DLGHKNLDTMEADT-SSDOTTSWSA-N	362.316	0.057	5	50	FCBA	
O=C(c1ccco1)N1CN2CN(C(=O)c3ccco3)CC([N+](=O)[O-])(C2)C1	16856337	ZWGHAOKNXULRNC-UHFFFAOYSA-N	360.326	0.717	5	50	FCBA	
CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(C)c([N+](=O)[O-])ccc2=O)C1	241694022	QJTFDYKAHRPONH-GFCCVEGCSA-N	351.359	0.867	5	50	FCBA	
Cn1ccnc1C(=O)c1ccc(NC[C@H]2CC(C(N)=O)=NO2)c([N+](=O)[O-])c1	170603374	VNFIWEQLSNJCKY-SNVBAGLBSA-N	372.341	0.601	5	50	FCBA	
CCOc1ccc(S(=O)(=O)n2cc(F)c(O)nc2=O)cc1[N+](=O)[O-]	2275411	QGPBUKYVJAFVIK-UHFFFAOYSA-N	359.291	0.632	5	50	FCBA	
Cn1ncc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c1C(N)=O	2777609	NKDIELZOZRVWST-UHFFFAOYSA-N	359.302	0.517	5	50	FCBA	
NC(=O)[C@@]1(O)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1	170610067	RPBCEPIWTFMVTL-CYBMUJFWSA-N	359.791	0.789	5	50	FCBA	
CS(=O)(=O)CC[C@H](C(=O)O)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	2254179	OHLPHVAGZZSLMY-SECBINFHSA-N	356.312	0.079	5	50	FCBA	
CCOC(=O)c1cc(C(=O)NCCn2nc([N+](=O)[O-])cc2C)nn1C	2793942	NOKIKJAFSUJKLH-UHFFFAOYSA-N	350.335	0.440	5	50	FCBA	
Cc1nnc(C)n1-n1ccc2nc3ccn(CCO)c(=O)c3cc2c1=O	38829300	UHNBGBGGESEZPI-UHFFFAOYSA-N	352.354	0.223	5	50	FCBA	
Cc1cc([N+](=O)[O-])c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1Br	19926311	LSZRKFXYHZKZCR-SDDRHHMPSA-N	365.180	0.153	5	50	FCBA	
CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(C)c([N+](=O)[O-])ccc2=O)C1	241694023	QJTFDYKAHRPONH-LBPRGKRZSA-N	351.359	0.867	5	50	FCBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1	4344496	ZUSHGIMCLKVKEA-UHFFFAOYSA-N	357.388	0.452	5	50	FCBA	
Cc1c(Cl)cc(S(=O)(=O)NC[C@@](C)(O)C(=O)O)cc1[N+](=O)[O-]	262356933	VZNQXSACEXLPQG-LLVKDONJSA-N	352.752	0.671	5	50	FCBA	
C/C=C1/C[C@H](C)[C@@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23	257348719	IDIMIWQPUHURPV-CYFANZJNSA-N	367.398	0.178	5	50	FCBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCCn2ccnc2)n1	12446630	IUOCPVLSDUVRRZ-UHFFFAOYSA-N	360.334	0.548	5	50	FCBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1C[C@@H]1CCCO1	32093913	NIOJODSUXHPMOO-NSHDSACASA-N	364.365	0.998	5	50	FCBA	
CN(C(=O)CN1CCc2c(ncn(C)c2=O)C1)c1ccc([N+](=O)[O-])cc1	253415612	TUFAEODOBTTYLI-UHFFFAOYSA-N	357.370	0.710	5	50	FCBA	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1	253427331	FGGVQUZADQDLQY-SNVBAGLBSA-N	367.387	0.883	5	50	FCBA	
CCn1c(CCn2nc(C)c([N+](=O)[O-])c2C)nnc1SCC(N)=O	2778225	SQKUUHLYNRRZGX-UHFFFAOYSA-N	353.408	0.840	5	50	FCBA	
CCN(c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-])S(C)(=O)=O	19899270	XZDHIRIXBFIWKG-UHFFFAOYSA-N	367.361	0.692	5	50	FCBA	
C=CC(=O)N(CC)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	1468517078	NODPYMVBBFEEBK-UHFFFAOYSA-N	374.397	0.914	5	50	FCBA	
O=c1c2cnc3ccn(-n4cnnc4)c(=O)c3c2ccn1C[C@@H]1CCCO1	72117584	UEBMJMIVCRAHJW-LBPRGKRZSA-N	364.365	0.793	5	50	FCBA	
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCOC[C@H]1c1nc[nH]n1	375189587	VJWSIXLVGLPVEP-ZDUSSCGKSA-N	367.387	0.659	5	50	FCBA	
COc1ccc(C[C@@H](CO)CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1O	268082406	GVVWLDHEMSDEGF-LLVKDONJSA-N	364.358	0.922	5	50	FCBA	
Cc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@H](NC(=O)CCn4cnnn4)[C@H]3C2)c1	1775997378	CTRGJMBPCLBYQV-ATCWAGBWSA-N	357.374	0.531	5	50	FCBA	
O=[N+]([O-])c1ccc(NCCOCCOCCOCCO)c([N+](=O)[O-])c1	230493990	MOPINTOOSUROKB-UHFFFAOYSA-N	359.335	0.957	5	50	FCBA	
O=C(O)C[C@@]1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCOC1	262928393	JVZBNIYGIPZKGC-INIZCTEOSA-N	365.342	0.465	5	50	FCBA	
O=C(O)C[C@]1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCOC1	262928394	JVZBNIYGIPZKGC-MRXNPFEDSA-N	365.342	0.465	5	50	FCBA	
O=C(NS(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)C1(n2cncn2)CC1	2325839899	IONRYEDURWVHOO-UHFFFAOYSA-N	355.307	0.320	5	50	FCBA	
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	940024	UKYDDBTZWTVSKW-NSHDSACASA-N	358.310	0.976	5	50	FCBA	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O	2845004	NDLHTNQLMRZREV-CYBMUJFWSA-N	371.415	0.964	5	50	FCBA	
C[C@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	170606331	FSBRFIIUBVQDBR-WCQYABFASA-N	371.415	0.575	5	50	FCBA	
C[C@H]1C[C@H](O)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	170606329	FSBRFIIUBVQDBR-AAEUAGOBSA-N	371.415	0.575	5	50	FCBA	
COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	975389	WGETYYLVMDBIRH-LOUJCGABSA-N	365.338	0.981	5	50	FCBA	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)c1=N	100627341	SFAZATAMYDYBDM-GFCCVEGCSA-N	367.409	0.976	5	50	FCBA	
CCOC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(N)=O)n2)cc1	12411061	FWBZVOGEVVRMCG-UHFFFAOYSA-N	361.314	0.706	5	50	FCBA	
CCOC(=O)C1=C(N)Oc2nc(O)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	3073402	KADWYJIMFMFUDU-VIFPVBQESA-N	374.309	0.641	5	50	FCBA	
CCOc1ccc(C(=O)NC(=S)Nc2nnn(C)n2)cc1[N+](=O)[O-]	1862395	NHWKSQUOZOLNOQ-UHFFFAOYSA-N	351.348	0.644	5	50	FCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nc(C2CCNCC2)n[nH]1	725375610	PNFZUEPRBJEXCO-UHFFFAOYSA-N	366.403	0.658	5	50	FCBA	
Cc1nc2ncnn2c(O)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	6269137	LXCCACRYPWTQMV-UHFFFAOYSA-N	350.316	0.847	5	50	FCBA	
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	2837200	MYICBQVDORNNAY-UHFFFAOYSA-N	371.396	0.721	5	50	FCBA	
CC(C)CS(=O)(=O)c1ccc([C@]2(O)C[N@@+](C)(CCO)CCO2)cc1	248171409	SFJSXWSZLJMWSG-ROUUACIJSA-N	358.480	0.731	5	50	FCBA	
COC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	951792	CORKFCUEWUYNGO-NSHDSACASA-N	358.310	0.976	5	50	FCBA	biogenic
NCCC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	170615011	CJVKZHVOAKKTEM-CYBMUJFWSA-N	370.431	0.603	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(S(C)(=O)=O)CC1	16346384	SYDHOENALMJXKM-UHFFFAOYSA-N	358.376	0.713	5	50	FCBA	
O=c1c2cc3c(=O)n(CCN4CCOCC4)ccc3nc2ccn1CCO	38828978	DMYMCWXRHPSKHR-UHFFFAOYSA-N	370.409	0.036	5	50	FCBA	
O=C(CCn1cnnn1)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1	2778382	KLKSQZVHWFOSMQ-NSHDSACASA-N	368.375	0.055	5	50	FCBA	
Cn1cnnc1Sc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-]	19794458	AWWRQVTYFQOGEH-UHFFFAOYSA-N	364.431	0.989	5	50	FCBA	
COc1ccc(NC(=O)CSc2nc(N)cc(=O)[nH]2)c([N+](=O)[O-])c1	9427163	CIJNOVGESWXKOO-UHFFFAOYSA-N	351.344	1.000	5	50	FCBA	
COc1ccc(CSCC(=O)NC[C@@](C)(O)C(=O)O)cc1[N+](=O)[O-]	262571006	ZCNXXXGJTXZLRF-CQSZACIVSA-N	358.372	0.788	5	50	FCBA	
CC(C)CS(=O)(=O)c1ccc([C@@]2(O)C[N@@+](C)(CCO)CCO2)cc1	248171405	SFJSXWSZLJMWSG-MSOLQXFVSA-N	358.480	0.731	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](CC(=O)O)C(=O)O	274932000	DLGHKNLDTMEADT-ZETCQYMHSA-N	362.316	0.057	5	50	FCBA	
CN(CCCC(=O)Nn1cnnc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2862746	OLDSBMGYXZHHLW-UHFFFAOYSA-N	368.375	0.357	5	50	FCBA	
O=c1oc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccccc12	1857525498	WNWBIUMUTUWNJA-BCDMZGRMSA-N	374.345	0.125	5	50	FCBA	
NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(C(=O)O)cc([N+](=O)[O-])c2)C1	738445042	MNKDICLQXQLMLJ-NSHDSACASA-N	357.344	0.186	5	50	FCBA	
CN1C(=O)NC2(CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)C1=O	225530746	BJKAAPYSSGCCCH-UHFFFAOYSA-N	350.360	0.825	5	50	FCBA	
CS(=O)(=O)N(CC(=O)NC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1	1135206	KVHJCZMQPGWWGH-ZDUSSCGKSA-N	357.388	0.656	5	50	FCBA	
CC1=NN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)B(O)c2sccc21	195824098	BTUXNHDPNMZXRF-UHFFFAOYSA-N	351.174	0.772	5	50	FCBA	
Cn1c(O)nc(=O)c2nc(C[C@H](O)c3cccc([N+](=O)[O-])c3)c(O)nc21	253536373	XRVUYMTZASNKJK-JTQLQIEISA-N	359.298	0.319	5	50	FCBA	
COc1cc(CN2CCN(CCOCCO)CC2)c([N+](=O)[O-])cc1OC	2870839	DOSPYENYQDHXII-UHFFFAOYSA-N	369.418	0.739	5	50	FCBA	
O=C(NCC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccc([N+](=O)[O-])c1	156861753	SCPSGNTUAGIOCY-CYBMUJFWSA-N	361.276	0.850	5	50	FCBA	
Cc1nn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-]	2761424	BIJDDIKYLPDXPH-UHFFFAOYSA-N	353.360	0.694	5	50	FCBA	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	100631973	LBCYYMHCYKZZAX-HZPXMUMDSA-N	358.350	0.796	5	50	FCBA	
O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1C[C@H]1CCCO1	32093915	NIOJODSUXHPMOO-LLVKDONJSA-N	364.365	0.998	5	50	FCBA	
CCOC(=O)[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	725373052	JLIQLDXMMPDIFG-MNOVXSKESA-N	357.388	0.414	5	50	FCBA	
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(C)C3=O)[C@H]2C1	245329446	ZBYMYDKOQQZGAL-DYVFJYSZSA-N	373.369	0.170	5	50	FCBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCOCC1)S(C)(=O)=O	1111105	KGBZRUBRJXOBRP-UHFFFAOYSA-N	373.387	0.228	5	50	FCBA	
COc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	3893000	VISKGSSBWOZKFY-QMMMGPOBSA-N	350.374	0.069	5	50	FCBA	
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N=C3O)[C@H]2C1	245325652	GVWUKQWJJQFUGC-GFCCVEGCSA-N	359.342	0.668	5	50	FCBA	
COCCCn1ccc2nc3ccn(-n4cnnc4)c(=O)c3cc2c1=O	38829274	LFEGOBMTXLIKAP-UHFFFAOYSA-N	352.354	0.651	5	50	FCBA	
COc1ccc(C[C@H](CO)CNC(=O)c2n[nH]c(C)c2[N+](=O)[O-])cc1O	268082407	GVVWLDHEMSDEGF-NSHDSACASA-N	364.358	0.922	5	50	FCBA	
CN1CCN(S(=O)(=O)c2ccc(N3CC(C)(O)C3)c([N+](=O)[O-])c2)CC1	170604941	IMLPKYILLKCCCC-UHFFFAOYSA-N	370.431	0.102	5	50	FCBA	
NCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	170621130	KTHWLCJRJJKISI-NSHDSACASA-N	356.404	0.070	5	50	FCBA	
C[C@@H]1C[C@@H](O)CN1c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	170606330	FSBRFIIUBVQDBR-DGCLKSJQSA-N	371.415	0.575	5	50	FCBA	
CC(C)CS(=O)(=O)c1ccc([C@@]2(O)C[N@+](C)(CCO)CCO2)cc1	248171408	SFJSXWSZLJMWSG-QZTJIDSGSA-N	358.480	0.731	5	50	FCBA	
Cc1cc([N+](=O)[O-])c(NC[C@H](O)[C@@H](O)[C@H](O)CO)cc1Br	4774491	LSZRKFXYHZKZCR-QJPTWQEYSA-N	365.180	0.153	5	50	FCBA	
CCc1[nH]nc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1[N+](=O)[O-]	264609259	NLTKNKFWCVIBKP-UHFFFAOYSA-N	359.346	0.464	5	50	FCBA	
NCCC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	170615012	CJVKZHVOAKKTEM-ZDUSSCGKSA-N	370.431	0.603	5	50	FCBA	
CC[C@@]1(C)NC(=O)N(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1=O	170616388	MODFIIBKEVFLJR-CQSZACIVSA-N	370.387	0.692	5	50	FCBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(S(C)(=O)=O)CC1	16347119	HVOMHZBQULWHKE-UHFFFAOYSA-N	374.444	0.877	5	50	FCBA	
NCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	170621131	KTHWLCJRJJKISI-LLVKDONJSA-N	356.404	0.070	5	50	FCBA	
O=c1oc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2c2ccccc12	254793033	WNWBIUMUTUWNJA-YUAHOQAQSA-N	374.345	0.125	5	50	FCBA	
O=c1c2cnc3ccn(-n4cnnc4)c(=O)c3c2ccn1C[C@H]1CCCO1	72117585	UEBMJMIVCRAHJW-GFCCVEGCSA-N	364.365	0.793	5	50	FCBA	
O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1	3894086	JCCRNPGAFAVCGB-UHFFFAOYSA-N	357.388	0.452	5	50	FCBA	
C[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)CC(=O)O	274946843	FWJOSKFKXUHAQJ-QMMMGPOBSA-N	360.344	0.755	5	50	FCBA	
Cc1nccn1CCCNC(=O)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12427695	YKHHHUUETAGNKW-UHFFFAOYSA-N	360.334	0.548	5	50	FCBA	
O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC(O)(C(=O)O)CC1	262731930	IDMZDEHSRHUWAI-UHFFFAOYSA-N	352.299	0.418	5	50	FCBA	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)C1	253418074	DFBBUVSOQQKHFK-SECBINFHSA-N	350.360	0.476	5	50	FCBA	
O=C(CCn1cnnn1)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1	2778381	KLKSQZVHWFOSMQ-LLVKDONJSA-N	368.375	0.055	5	50	FCBA	
CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	1178427	NRJBFCCEWPKJGD-UHFFFAOYSA-N	363.417	0.251	5	50	FCBA	
NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	239275180	BGXUDJBSGVHBIX-NBLIUIFLSA-N	370.365	0.913	5	50	FCBA	
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c1	36341704	MAZZOIKBKCKRDP-UHFFFAOYSA-N	373.368	0.749	5	50	FCBA	
O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCn2ccnc21	1468299998	JFLNMSYREZZMTB-JTQLQIEISA-N	365.371	0.331	5	50	FCBA	
COC(=O)Cc1c(C)[nH]c2nc(NCc3cccc([N+](=O)[O-])c3)nn2c1=O	15988059	MWMPXFTYFQUTBN-UHFFFAOYSA-N	372.341	0.962	5	50	FCBA	
O=[N+]([O-])c1ccc(N2CCNCC2)c(S(=O)(=O)N2CCOCC2)c1	4561646	NUYMPPKHQBSYGP-UHFFFAOYSA-N	356.404	0.025	5	50	FCBA	
O=C(NCCC(CN1CCOCC1)([N+](=O)[O-])[N+](=O)[O-])c1ccccc1	19321447	IFCOGCJRHSZOPT-UHFFFAOYSA-N	352.347	0.388	5	50	FCBA	
C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C(=O)O)O1	262152333	BTWROPKSYVJHPL-MFKMUULPSA-N	365.342	0.415	5	50	FCBA	
Cn1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(C(N)=O)n1	2777792	PKHDSYGZQRLNHK-UHFFFAOYSA-N	359.302	0.517	5	50	FCBA	
Cc1cc([N+](=O)[O-])c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1Br	4774475	LSZRKFXYHZKZCR-TUAOUCFPSA-N	365.180	0.153	5	50	FCBA	
CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	244652022	GYIMIFULGNCXBQ-XJIUQZFPSA-N	358.306	0.971	5	50	FCBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCCc2ccccn2)n1	12446646	CBSFBVIITBHZQO-UHFFFAOYSA-N	357.330	0.899	5	50	FCBA	
Cc1c(C(=O)N2CCCNC(=O)[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1	188088234	KKHJDBRUXPUMBP-LLVKDONJSA-N	358.358	0.835	5	50	FCBA	
O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCOC[C@@H]1c1nc[nH]n1	375189586	VJWSIXLVGLPVEP-CYBMUJFWSA-N	367.387	0.659	5	50	FCBA	
CS(=O)(=O)N(CC(=O)NC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1	1135204	KVHJCZMQPGWWGH-CYBMUJFWSA-N	357.388	0.656	5	50	FCBA	
CCN1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	20363699	ZRDFMXRFVCCKLA-UHFFFAOYSA-N	370.431	0.525	5	50	FCBA	
O=C(c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1)N1CCOCC1	19907218	QOXJILNZVUZIHB-UHFFFAOYSA-N	364.402	0.182	5	50	FCBA	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)c1=N	100627337	SFAZATAMYDYBDM-LBPRGKRZSA-N	367.409	0.976	5	50	FCBA	
Cc1nnc(CN(C)CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)n1C	170605651	LDSFIZWXRFEQDD-UHFFFAOYSA-N	374.401	0.753	5	50	FCBA	
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	229908592	PQQHISLDHXICJA-LRDDRELGSA-N	360.326	0.051	5	50	FCBA	
CNc1cc2c(=O)n(C)c(=O)c3c(NC)cc4c(=O)n(C)c(=O)c1c4c23	3880773	BKRDTJXJGQTPIZ-UHFFFAOYSA-N	352.350	0.223	5	50	FCBA	
Cc1cccn2c(=O)c3cc(C(N)=O)c(=N)n(Cc4cccnc4)c3nc12	100088318	PQNQSRSERFJOKN-UHFFFAOYSA-N	360.377	0.979	5	50	FCBA	
CCn1cc(CN2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)c(C)n1	20608295	OCNCZLHJTARLQR-UHFFFAOYSA-N	361.406	0.811	5	50	FCBA	
NC(=O)[C@]1(O)CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1	170610068	RPBCEPIWTFMVTL-ZDUSSCGKSA-N	359.791	0.789	5	50	FCBA	
CC(=O)OC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	244652021	GYIMIFULGNCXBQ-VWPFQQQWSA-N	358.306	0.971	5	50	FCBA	
Cc1ncc([N+](=O)[O-])n1CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C	10337324	OYIRPJHXYDTSPI-UHFFFAOYSA-N	367.753	0.200	5	50	FCBA	
CC(=O)OC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	12379887	GYIMIFULGNCXBQ-UMPJEAMMSA-N	358.306	0.971	5	50	FCBA	
COC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc([N+](=O)[O-])nn1C	2325829861	UUEQFJLKPHUMEC-UWVGGRQHSA-N	351.363	0.179	5	50	FCBA	
NC(=O)[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)C1	477829838	YPWIECKCNOQJRA-QGZVFWFLSA-N	358.354	0.995	5	50	FCBA	
CCOC(=O)C1=C(N)Oc2nc(O)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	3073403	KADWYJIMFMFUDU-SECBINFHSA-N	374.309	0.641	5	50	FCBA	
O=C(NCc1ccc2c(c1)OCO2)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	12375101	JCRIJSDXZDWICK-UHFFFAOYSA-N	372.297	0.881	5	50	FCBA	
CC1([N+](=O)[O-])COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12	19848450	KSRAJVHIZWAKDG-UHFFFAOYSA-N	363.370	0.558	5	50	FCBA