smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(Br)o1	2765106	CKMFTOVAMWCQIJ-JTQLQIEISA-N	417.237	2.648	5	50	HFBA	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)ccc1[N+](=O)[O-]	2991878	PECDOIWWCMGQNB-UHFFFAOYSA-N	413.415	2.746	5	50	HFBA	
CCOC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(Cl)cc2)C1	15745916	QCMCCDTVLXNLMK-LJQANCHMSA-N	417.805	2.859	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ncn(CC(F)(F)F)n2)cc1OC(F)F	240225400	DHPNVTVGULEOEA-NSHDSACASA-N	423.298	2.928	5	50	HFBA	
CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)C1	225420893	IGYCEQWIDHMCAW-YQQAZPJKSA-N	402.495	2.675	5	50	HFBA	
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1	1136134	WBTZFUZXWNMTAD-UHFFFAOYSA-N	405.432	2.640	5	50	HFBA	
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1782168	YJHAUVXPMAXODW-SFHVURJKSA-N	417.443	2.529	5	50	HFBA	
COC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C	2102142	KDVYVSQZIIXFLI-UHFFFAOYSA-N	408.388	2.555	5	50	HFBA	
O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@H]43)[C@H]2C(=O)N1c1ccccc1	247320528	LOGYSZUFTVYLIL-MYLBCWQPSA-N	403.394	2.769	5	50	HFBA	
CC[C@H](C(=O)NCCCn1ccc([N+](=O)[O-])n1)n1nc(C(F)(F)F)c2c1CCC2	20607703	RWWDYOAGVIXDDT-GFCCVEGCSA-N	414.388	2.653	5	50	HFBA	
CC(=O)c1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	4810876	FYXJFVFMMQCJFA-UHFFFAOYSA-N	405.432	2.511	5	50	HFBA	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1nccs1	1156241	YTRBNRJNGFHZNI-JWRWLIQVSA-N	403.419	2.928	5	50	HFBA	
O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	6270549	LPOPUJLNINQHQN-UHFFFAOYSA-N	401.400	2.919	5	50	HFBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	197192769	QQICTSNXQWQHQU-LLKJBZILSA-N	419.437	2.958	5	50	HFBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	4687407	LSXHKZRYADDWJF-UHFFFAOYSA-N	418.519	2.721	5	50	HFBA	
CCOc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	4813958	OYDNXDNYJXDNOA-MSOLQXFVSA-N	417.443	2.606	5	50	HFBA	
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	844444	ILQOPYNFADFQSM-GOSISDBHSA-N	411.370	2.695	5	50	HFBA	
O=C(c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21	1136613	XNQUMIMZCGVBDW-UHFFFAOYSA-N	408.395	2.861	5	50	HFBA	
C[C@@H]1CN(c2ccc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cn2)C[C@@H](C)O1	170605654	KOILROGZMJLNSG-HUUCEWRRSA-N	412.446	2.507	5	50	HFBA	
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	726967	SHPNJOUXLZAKFM-UHFFFAOYSA-N	402.428	2.830	5	50	HFBA	
O=C(/C=C/c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4188577	DOXLVZLKDVYMIC-RMKNXTFCSA-N	422.485	2.793	5	50	HFBA	
Cc1c(Cl)cccc1Nc1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)[n+]1[O-]	4828947	GGFKEUOLBDRBER-UHFFFAOYSA-N	403.782	2.891	5	50	HFBA	
COc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OC	851735	LSXIXZOGOHDQRD-UHFFFAOYSA-N	401.419	2.583	5	50	HFBA	
C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1150563	WJNNGOZYGXMDLC-SNVBAGLBSA-N	416.773	2.659	5	50	HFBA	
O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc(Cl)c1	19790809	SEYCODILKILAQV-SFHVURJKSA-N	414.849	2.702	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	4144329	DXBNEPDFCBIQJD-JJRVBVJISA-N	409.320	2.699	5	50	HFBA	
CSc1nnc2c(n1)O[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc([N+](=O)[O-])cc21	15015584	LYAKRFNUDJMQAC-GOSISDBHSA-N	408.399	2.778	5	50	HFBA	
NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1	4624257	HLJOTASOEGIAEN-UHFFFAOYSA-N	400.401	2.924	5	50	HFBA	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	2734743	MVLWEMGMFUTFRV-UHFFFAOYSA-N	407.448	2.886	5	50	HFBA	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(C(C)C)c3nc12	100630622	JQZPEPNNLCFLOQ-UHFFFAOYSA-N	401.470	2.948	5	50	HFBA	
CCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21	100662589	KREYZCNUPJKCGI-UHFFFAOYSA-N	401.470	2.511	5	50	HFBA	
CN(C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)C23CC(F)(C2)C3)C1	2325827381	DQNHKHZOKGJLFH-QJMMUHCBSA-N	401.438	2.696	5	50	HFBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(OC(F)(F)F)cc1	1064564	WNUJNMLOYVPYQU-UHFFFAOYSA-N	409.276	2.728	5	50	HFBA	
Cc1c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=O)n(-c2ccccc2)n1C	23281501	WNBHMATWZWWGKF-UHFFFAOYSA-N	407.474	2.715	5	50	HFBA	
COCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21	100662530	ZEUWTWNIIUQGPJ-UHFFFAOYSA-N	423.517	2.536	5	50	HFBA	
CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1	832754	CFXGCLQDKXNADY-HNNXBMFYSA-N	408.366	2.959	5	50	HFBA	
NC[C@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	170606454	WEGWGVBNAUAERZ-FXAWDEMLSA-N	403.504	2.956	5	50	HFBA	
CC(=O)Nc1cccc(NC(=O)CSc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1	2685280	WOMHVBOMYFCOEZ-UHFFFAOYSA-N	423.472	2.688	5	50	HFBA	
Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	12372380	NPQUJSCBTPDLEZ-UHFFFAOYSA-N	414.374	2.536	5	50	HFBA	
CN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)C23CC(F)(C2)C3)C1	2325827382	DQNHKHZOKGJLFH-RQSQTTDLSA-N	401.438	2.696	5	50	HFBA	
CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1	755555	BNVDKTPOHKHILD-HNNXBMFYSA-N	408.366	2.959	5	50	HFBA	
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	100560184	VOPPBYOHCAKAGC-UHFFFAOYSA-N	403.442	2.767	5	50	HFBA	
O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCn2c(nnc2C(F)(F)F)C1	444078488	DIKIFCVDLMFQJC-UHFFFAOYSA-N	413.359	2.948	5	50	HFBA	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1	2309454	PBXSVUOHSYXTOG-UHFFFAOYSA-N	413.415	2.746	5	50	HFBA	
O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4144121	WXZBPVVTWGBQGV-UHFFFAOYSA-N	414.437	2.533	5	50	HFBA	
CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C(N)=O)c1C	2102711	KEKJDLGXTVRLSS-UHFFFAOYSA-N	407.404	2.501	5	50	HFBA	
CNc1cc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)ccc1[N+](=O)[O-]	4125044	KICWFOUYOSAZHM-UHFFFAOYSA-N	400.435	2.616	5	50	HFBA	
O=C(NC(=S)Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	15919217	HYUVGLWAXURPHU-UHFFFAOYSA-N	421.866	2.607	5	50	HFBA	
O=C(CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)NC1CCCCC1	225393088	XPIFHYQQHXTILZ-UHFFFAOYSA-N	410.279	2.629	5	50	HFBA	
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1	242038559	VMCMRLXAJNQLMR-MJGOQNOKSA-N	400.431	2.943	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](NC(C)C)C(Cl)(Cl)Cl	19204090	FOVVCVVMXZKQEX-SNVBAGLBSA-N	402.666	2.520	5	50	HFBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1	1140386	CUMSDOSTSYUQBQ-LJQANCHMSA-N	422.485	2.796	5	50	HFBA	
CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n1	40398878	JKGLKXQXURQZGT-UHFFFAOYSA-N	416.466	2.589	5	50	HFBA	
Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2N)cc1[N+](=O)[O-]	2870459	PZENRDLMUTWJQR-UHFFFAOYSA-N	414.447	2.518	5	50	HFBA	
O=C1C[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	1050055	XWVBLRRMMCHTJB-GTNSWQLSSA-N	406.391	2.676	5	50	HFBA	
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	1158417	ZSHKQWRXSVEUSQ-UHFFFAOYSA-N	407.423	2.773	5	50	HFBA	
NC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	2830188	APUGKUYPGSOKNG-SOFGYWHQSA-N	404.835	2.874	5	50	HFBA	
COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Br)cc3)[n+]2[O-])cc1	4757850	QREXDQAGYOFTJW-UHFFFAOYSA-N	406.196	2.929	5	50	HFBA	
CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1	832753	CFXGCLQDKXNADY-OAHLLOKOSA-N	408.366	2.959	5	50	HFBA	
Cn1cc(C(=N)O)c([C@@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)n1	328603785	HFLITIMWDUJEEX-CYBMUJFWSA-N	412.450	2.806	5	50	HFBA	
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1c(Br)c(C)nn1C	2801625	LPGWAFNIWVWEPV-UHFFFAOYSA-N	412.269	2.834	5	50	HFBA	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	13427042	HRGJNHXILMPDRT-JMSVASOKSA-N	415.349	2.760	5	50	HFBA	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCCCC1	4714199	KFCHNMXEQIQUHF-UHFFFAOYSA-N	403.460	2.803	5	50	HFBA	
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NC[C@H]2CCCO2)cc1	6190196	VNZHREGXWAZLCY-PQDCBLBRSA-N	409.442	2.969	5	50	HFBA	
NC(=O)[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	760770021	JFFLMGYRZRECQQ-QGZVFWFLSA-N	414.805	2.687	5	50	HFBA	
O=C(CF)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl	5127443	SXQLZTJNLWGRIZ-SECBINFHSA-N	403.650	2.663	5	50	HFBA	
O=c1c2cc(I)ccc2ncn1Cc1ccc([N+](=O)[O-])cc1	3124338	ZSHJUIGWVGFDDQ-UHFFFAOYSA-N	407.167	2.958	5	50	HFBA	
O=C(O[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(O)cc([N+](=O)[O-])c1	787747573	NNFUISVDASNZOB-QGZVFWFLSA-N	406.341	2.927	5	50	HFBA	
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	55226455	BIVGJUAVKZJSRQ-SFHVURJKSA-N	402.451	2.642	5	50	HFBA	
CCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21	100627748	ZMVMWLRBEVWMJA-OAHLLOKOSA-N	401.470	2.948	5	50	HFBA	
COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)cc2oc(=O)c3ccccc3c12	630281	DAULUUDYACNKMI-NEPJUHHUSA-N	400.383	2.827	5	50	HFBA	
O=C(O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)/C=C/c1ccc(Cl)cc1	776493394	LPMKMRMETBTLAK-SCOAYWHSSA-N	410.835	2.834	5	50	HFBA	
COc1ccccc1-c1ccnc(C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)n1	952894008	PDBAEEVTVDBWTO-UHFFFAOYSA-N	408.418	2.803	5	50	HFBA	
COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	1141747	LUMVGFSHULQQJP-UHFFFAOYSA-N	411.414	2.872	5	50	HFBA	
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1	1138614	HCJYAEXAEWSGDG-GOSISDBHSA-N	412.402	2.879	5	50	HFBA	
CSc1nsc(SC)c1NC(=O)OCC1([N+](=O)[O-])COC(C)(C)OC1	2849502	LMPMALDYUPUOPE-UHFFFAOYSA-N	409.511	2.934	5	50	HFBA	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(Br)c1	850478	WYJHQFGIFBAIPU-UHFFFAOYSA-N	418.203	2.982	5	50	HFBA	
CCOC(=O)c1sc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1C	2995411	GCRLHKNFVMYDHD-RMKNXTFCSA-N	419.415	2.732	5	50	HFBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1	17015240	YEPHOXHJHDAUQS-PKQAIAMASA-N	414.462	2.619	5	50	HFBA	
CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)n1	40398887	RLULRSONVWRHAO-UHFFFAOYSA-N	402.439	2.530	5	50	HFBA	
O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	101550102	QQICTSNXQWQHQU-WHKBWVQYSA-N	419.437	2.958	5	50	HFBA	
CN1CCC(N(C)[C@H]2CCCC[C@H]2N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	253369947	KJPLVBLDMVFXFT-ZWKOTPCHSA-N	424.567	2.553	5	50	HFBA	
O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Cl)cc1	100551912	VEVDQWCONYIHMQ-GOSISDBHSA-N	414.849	2.702	5	50	HFBA	
Cc1nn(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Br	17090961	NZACQJWBLODEDF-UHFFFAOYSA-N	417.285	2.539	5	50	HFBA	
CCOc1c(Br)cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OC	18161619	BRINKUJMMMLXAS-SNAWJCMRSA-N	412.196	2.724	5	50	HFBA	
CCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21	100633131	MCHNZGQTXHSMBY-UHFFFAOYSA-N	408.483	2.598	5	50	HFBA	
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c1	242038558	VMCMRLXAJNQLMR-HKUYNNGSSA-N	400.431	2.943	5	50	HFBA	
COC1(c2nc(-c3cnccn3)no2)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	225839310	SHVBRNKHSAPBAK-UHFFFAOYSA-N	410.434	2.615	5	50	HFBA	
CCN(CC)CCn1c(NC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)nc2ccccc21	2764640	YXJIAIQPVPNFOY-UHFFFAOYSA-N	405.846	2.915	5	50	HFBA	
CCNc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-]	4703724	CYYODCXQVOMPDF-UHFFFAOYSA-N	408.455	2.677	5	50	HFBA	
CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCO)cc1	4755932	XNJRJAKGDXIMJO-RGEXLXHISA-N	411.458	2.772	5	50	HFBA	
Cc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c(C)c1	96793224	ONTOJHWIUQBVTG-HXUWFJFHSA-N	408.458	2.666	5	50	HFBA	
CC(C)C[C@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O	5092395	ZAAHMCZTFYZBSA-SFKKXYGYSA-N	415.402	2.574	5	50	HFBA	
Cc1nonc1OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	55526910	VLFKVGFNRJRZPP-UHFFFAOYSA-N	401.345	2.506	5	50	HFBA	
COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cn2)cc1[N+](=O)[O-]	881982	ZPCRPFOAFVTXEO-UHFFFAOYSA-N	411.237	2.888	5	50	HFBA	
Cc1nn(C)c(C)c1CNC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	5697022	XVXGBDHZMXZRKC-UHFFFAOYSA-N	412.494	2.997	5	50	HFBA	
Cn1cnnc1Sc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	9971828	JJIAFAXTGRCECQ-UHFFFAOYSA-N	424.486	2.837	5	50	HFBA	
COc1cccc(CN2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1	865129	ZOPHRUFFEROWLT-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
CCN(CC)[C@@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1	464048794	TZHGUTIZPXLSDH-INIZCTEOSA-N	402.451	2.942	5	50	HFBA	
Cc1nn(CC(=O)Nc2ccccc2I)c(C)c1[N+](=O)[O-]	2763464	IHDSBBQRGUGSND-UHFFFAOYSA-N	400.176	2.651	5	50	HFBA	
C[C@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1C(=O)c1ccco1	5027844	FGUSZRJJCKDJQH-AWEZNQCLSA-N	418.425	2.514	5	50	HFBA	
O=C1C[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	1050053	XWVBLRRMMCHTJB-DIFFPNOSSA-N	406.391	2.676	5	50	HFBA	
COC(=O)[C@H](C)Oc1cc(O[C@@H](C)C(=O)OC)c2c(c1)oc(=O)c1ccccc12	630279	DAULUUDYACNKMI-RYUDHWBXSA-N	400.383	2.827	5	50	HFBA	
CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1	4509573	NRYXYKSVAFFBCD-XNTDXEJSSA-N	404.220	2.874	5	50	HFBA	
Cc1nn(CCCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)c1[N+](=O)[O-]	1429919	UIZRCBZODUQUSX-UHFFFAOYSA-N	412.450	2.625	5	50	HFBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCc1c[nH]c2ccccc12	1432179	GDQYGKUCRUMAIP-UHFFFAOYSA-N	406.240	2.702	5	50	HFBA	
O=C(O)CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	2697450	DDSFPFDUZKFHSD-UHFFFAOYSA-N	416.415	2.525	5	50	HFBA	
Cc1cc(OCC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1C(C)C	170594692	CWPRWTNEJSUIJO-UHFFFAOYSA-N	420.487	2.996	5	50	HFBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1	4999015	TZPZBISILRRSQV-UHFFFAOYSA-N	416.459	2.885	5	50	HFBA	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	253428604	KHAUBUSPZMYHJE-FHLIZLRMSA-N	418.494	2.935	5	50	HFBA	
COc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1	19878863	VJYWONMCFNDWOF-HNNXBMFYSA-N	402.384	2.726	5	50	HFBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(C(C)(C)C)C3=O)[C@H]2C1	245257267	YEPHOXHJHDAUQS-YDZGXFTCSA-N	414.462	2.824	5	50	HFBA	
NS(=O)(=O)c1ccc(N[C@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	225463083	HXVGPVWGRYKWDL-GFCCVEGCSA-N	406.247	2.695	5	50	HFBA	
CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1	4688286	LFUNIXFKSLAVRQ-UHFFFAOYSA-N	424.501	2.956	5	50	HFBA	
NC(=O)[C@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	478877345	WAPFEUJDLFFKDS-OAHLLOKOSA-N	424.276	2.792	5	50	HFBA	
CS(=O)(=O)c1ccc2nc(NC(=O)c3c(C(=O)O)cccc3[N+](=O)[O-])sc2c1	9446184	KDMZAKDKRSCIPP-UHFFFAOYSA-N	421.412	2.559	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCOC[C@@H]2c2ncn(CC(F)(F)F)n2)cc1OC(F)F	240225398	DHPNVTVGULEOEA-LLVKDONJSA-N	423.298	2.928	5	50	HFBA	
COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1OC	865249	FMLSXOUOHKSXBC-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@H](O)CN1CCCCC1)c1ccccc1	864146	UYVLCSCMMQANCE-GOSISDBHSA-N	419.503	2.637	5	50	HFBA	
COc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1	5094437	IXMPMSXLBVBSPV-UHFFFAOYSA-N	405.838	2.984	5	50	HFBA	
CC(C)C[C@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl	225834997	TVFVXFNQTKKLIB-MRVPVSSYSA-N	415.693	2.696	5	50	HFBA	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(Br)cc1	1124441	UGUNMUQKJBWLRP-UHFFFAOYSA-N	404.176	2.592	5	50	HFBA	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	4688008	KXBUKXBKIBZFPK-KBVGCWLLSA-N	401.400	2.983	5	50	HFBA	
O=C1C[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	4580254	XWVBLRRMMCHTJB-APPDUMDISA-N	406.391	2.676	5	50	HFBA	
COCCNc1ccc(C(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)cc1[N+](=O)[O-]	225743982	QTHQURTZQNWRGJ-KRWDZBQOSA-N	412.446	2.885	5	50	HFBA	
C[C@H]1CN(c2ccc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cn2)C[C@@H](C)O1	170605652	KOILROGZMJLNSG-GASCZTMLSA-N	412.446	2.507	5	50	HFBA	
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1	2891211	WWIUKEHDVXYGFC-AWEZNQCLSA-N	419.459	2.643	5	50	HFBA	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=N)NC3=O)cc2)cc1[N+](=O)[O-]	3968789	XSWDWDLPTSDSBC-NVNXTCNLSA-N	419.440	2.810	5	50	HFBA	
Cc1nnc2ccc(C(=O)N3CCc4c(Br)ccc([N+](=O)[O-])c4C3)cn12	791234521	LEJJOJPPMKHENV-UHFFFAOYSA-N	416.235	2.907	5	50	HFBA	
Cc1cc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)ccc1[N+](=O)[O-]	1140160	IJHHRYSWXAMHTB-UHFFFAOYSA-N	400.460	2.867	5	50	HFBA	
Cc1ccc(C(=O)N2CCC[C@H](n3ncc(N(C)C(C)C)cc3=O)C2)cc1[N+](=O)[O-]	328603327	FRISBMJHRSIWHD-KRWDZBQOSA-N	413.478	2.782	5	50	HFBA	
CCOc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	1138445	MWSIDYZRFQNBST-CYBMUJFWSA-N	407.448	2.787	5	50	HFBA	
COC(=O)c1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc([N+](=O)[O-])c1	678054	BTXAWRKEMFXORL-UHFFFAOYSA-N	403.822	2.997	5	50	HFBA	
COc1ccccc1N1CCN(C(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)CC1	2890158	AOHNHUAYRIHWGT-UHFFFAOYSA-N	401.467	2.546	5	50	HFBA	
CCOC(=O)[C@@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	170595659	HWGFDSNYJDMPGJ-QWHCGFSZSA-N	401.485	2.625	5	50	HFBA	
COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O	1149494	BYYZXKRQBABGJX-UHFFFAOYSA-N	413.839	2.662	5	50	HFBA	
C[C@H](CCc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	54991895	JLKRBYIZOKOPCP-QGZVFWFLSA-N	403.504	2.922	5	50	HFBA	
N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)S1	7004072	RDAQXWPNSYQJPT-LCYFTJDESA-N	405.413	2.501	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1	4162517	SIZIDQQOUNAOIV-UHFFFAOYSA-N	416.503	2.706	5	50	HFBA	
Cc1nn(CCOC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)c(N)c1[N+](=O)[O-]	2325717261	SIZNQHMTXJVOHE-RMKNXTFCSA-N	423.429	2.913	5	50	HFBA	
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2OC)cc1[N+](=O)[O-]	3461084	JMLLQFGWQQEBKI-UHFFFAOYSA-N	419.415	2.827	5	50	HFBA	
C[C@@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1CC(C)(C)O	170602684	KCIGJJRRWUFEKY-CYBMUJFWSA-N	404.492	2.636	5	50	HFBA	
CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1	230210129	IGYCEQWIDHMCAW-BFYDXBDKSA-N	402.495	2.675	5	50	HFBA	
Cc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c(C)c1	19797521	ONTOJHWIUQBVTG-FQEVSTJZSA-N	408.458	2.666	5	50	HFBA	
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1[C@@H](C(=O)OC)CC2	1744102	PVMOBVIQJZHLTI-NSHDSACASA-N	404.400	2.898	5	50	HFBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(C(C)(C)C)C3=O)[C@H]2C1	245257266	YEPHOXHJHDAUQS-FFUDGTDTSA-N	414.462	2.824	5	50	HFBA	
CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)NC1=S	229920194	XBDYUWLGNUAQFB-JXFKEZNVSA-N	416.503	2.538	5	50	HFBA	
COC(=O)c1ccc(CN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	489396080	YRHZUJDSPNBSJE-CYBMUJFWSA-N	401.419	2.849	5	50	HFBA	
O=[N+]([O-])c1cccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)c1	4951947	QKVYGEBUKSCOJK-IBGZPJMESA-N	419.503	2.637	5	50	HFBA	
CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21	100633097	NKXBQBNUZDGBIQ-AWEZNQCLSA-N	408.483	2.932	5	50	HFBA	
COc1cc2c(cc1OC)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(C)=O)CC2	752651	KBWOZZOJARTKQX-HXUWFJFHSA-N	400.387	2.835	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1	19913960	BQAWSCRPVSHKFH-UHFFFAOYSA-N	400.460	2.583	5	50	HFBA	
COCCNC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1	1840946	XNPZSAIQMRIHMR-UHFFFAOYSA-N	409.324	2.700	5	50	HFBA	
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc3cc(Br)cnc3n12	1195949	SMLZAIDGDRQKAW-XGICHPGQSA-N	403.217	2.523	5	50	HFBA	
O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1cccc([N+](=O)[O-])c1	1149042	HZMUUEZBKSGKQC-UHFFFAOYSA-N	419.242	2.923	5	50	HFBA	
CC[C@H](C(=O)NCCCn1cc([N+](=O)[O-])cn1)n1nc(C(F)(F)F)c2c1CCC2	20607613	XNMQBADMDNQOLD-CYBMUJFWSA-N	414.388	2.653	5	50	HFBA	
Nc1ncc2c(n1)CCN(C(=O)c1cc(F)cc3c(=O)c4cc(F)ccc4[nH]c13)C2	684062083	LYPIOPHWAKRCPZ-UHFFFAOYSA-N	407.380	2.530	5	50	HFBA	
COc1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1OC	865148	XWGAPSJYZPUOBD-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
Cc1cc(I)ccc1NC(=O)Cn1c([N+](=O)[O-])cnc1C	1051048	FCHIYJSCBKHUDE-UHFFFAOYSA-N	400.176	2.651	5	50	HFBA	
CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	1138443	MWSIDYZRFQNBST-ZDUSSCGKSA-N	407.448	2.787	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2OC)CC1	4091104	BWQRKONAXBDRSQ-UHFFFAOYSA-N	414.462	2.763	5	50	HFBA	
O=C(CF)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl	5127441	SXQLZTJNLWGRIZ-VIFPVBQESA-N	403.650	2.663	5	50	HFBA	
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1	4686993	NLEUHVLENFEBCP-HNNXBMFYSA-N	414.823	2.751	5	50	HFBA	
CCCCC(=O)N1CCN(c2cc(N3CCN(CC)CC3)c(F)cc2[N+](=O)[O-])CC1	4998214	JCRQFIUOLZAJLF-UHFFFAOYSA-N	421.517	2.715	5	50	HFBA	
N=C1NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])S1	15800486	CSCPECPMDQEAFU-LCYFTJDESA-N	405.413	2.501	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)cc1	2780430	XBYJNOWVBUVYFL-UHFFFAOYSA-N	411.802	2.828	5	50	HFBA	
COC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)nc1SCC(=O)NC(C)(C)C	1067417	OGDBFUNTEZLLPN-UHFFFAOYSA-N	406.464	2.638	5	50	HFBA	
CNC(=O)[C@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1	170624974	IGYCEQWIDHMCAW-UXLLHSPISA-N	402.495	2.675	5	50	HFBA	
Cc1ccc(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H]2C=CS(=O)(=O)C2)cc1	2900912	YBRANISRJSQQQL-OAHLLOKOSA-N	417.399	2.769	5	50	HFBA	
CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1	8868264	UJPVNRHJLHKUOT-MRXNPFEDSA-N	422.459	2.885	5	50	HFBA	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1ccc([N+](=O)[O-])cc1OCCO2	4257962	WUCZXVPZOOWIQO-UHFFFAOYSA-N	406.347	2.749	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4o3)CC2)cc1[N+](=O)[O-]	4602623	YMCADCGDKDMBEY-UHFFFAOYSA-N	402.432	2.555	5	50	HFBA	
C[C@H](Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-])c1ccccc1	4090635	UJXNTMKNABVJLC-HNNXBMFYSA-N	404.492	2.850	5	50	HFBA	
C[C@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1150177	HPVUFWIICVGCIM-SECBINFHSA-N	418.203	2.981	5	50	HFBA	
Cn1c2ccc([N+](=O)[O-])cc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21	1155256	LTEKDPGGOOIASK-UHFFFAOYSA-N	420.410	2.771	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1	4687375	KEXCCGQADWVQKK-UHFFFAOYSA-N	416.503	2.988	5	50	HFBA	
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1nnc2ccccn12	139146919	XULWRXYQHSKNKC-UHFFFAOYSA-N	423.355	2.568	5	50	HFBA	
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C[C@@H]2C[C@H](F)CN2Cc2scnc2C)n1	225823712	KGWODYRLFNFMIK-STQMWFEESA-N	423.470	2.590	5	50	HFBA	
COc1ccc(N(CC(=O)NC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	4974013	QOKKHZZTMSLMBZ-UHFFFAOYSA-N	421.475	2.632	5	50	HFBA	
O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1	12628688	ISFIBDPRVLBLDO-UHFFFAOYSA-N	412.427	2.705	5	50	HFBA	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Br)cc1	850479	FBHNTCYHRFLQAT-UHFFFAOYSA-N	418.203	2.982	5	50	HFBA	
CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	229900634	MBRANFPVIJLCSR-IBNJYYFUSA-N	414.462	2.763	5	50	HFBA	
Cc1nn(C[C@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1[N+](=O)[O-]	2803231	MKMPVRMUVFAOCH-LBPRGKRZSA-N	417.433	2.988	5	50	HFBA	
Cn1nccc1CN(CCc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	20602605	WPEPUCKWSNMNDO-UHFFFAOYSA-N	418.450	2.901	5	50	HFBA	
NC(=O)c1ccc(N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1	1875309783	NKTXYUIIMBXCQV-LBPRGKRZSA-N	422.363	2.998	5	50	HFBA	
O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)[C@H]1CCCC[C@@]1(N1CCOCC1)O2	22065010	QCKOELLDBHAPRZ-HLAWJBBLSA-N	403.479	2.579	5	50	HFBA	
CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	4736782	TUYHEROTBXBNDK-UHFFFAOYSA-N	412.446	2.914	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cn(Cc3ccccc3)nn2)c2ncccc12	225693552	AXGKXEGPSWOXHW-UHFFFAOYSA-N	410.415	2.584	5	50	HFBA	
O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	239175788	QQICTSNXQWQHQU-RUXLODGWSA-N	419.437	2.958	5	50	HFBA	
CSc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	19854119	ZOEXRPRPWVFGRH-UHFFFAOYSA-N	407.517	2.823	5	50	HFBA	
CCOC(=O)[C@H](C)[C@H](C)Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	170595656	HWGFDSNYJDMPGJ-OLZOCXBDSA-N	401.485	2.625	5	50	HFBA	
CC(C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21	100425685	GULGYCXYCGEVLX-UHFFFAOYSA-N	401.470	2.682	5	50	HFBA	
CCCCOC[C@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4706744	REGJQKBZKFXKOF-SWLSCSKDSA-N	409.464	2.546	5	50	HFBA	
N=C1NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)S1	6974595	ZFXXHIHZFSWQIL-ZSOIEALJSA-N	405.413	2.501	5	50	HFBA	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C(=O)N1c1ccccc1	247320540	LOGYSZUFTVYLIL-QEYSWXTQSA-N	403.394	2.769	5	50	HFBA	
O=C(O)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	15822142	RCNLZZWASPKDTJ-WJDWOHSUSA-N	417.805	2.610	5	50	HFBA	
NC(=O)c1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2	2999703	WOPREMWRSFYPAU-UHFFFAOYSA-N	404.473	2.761	5	50	HFBA	
CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	1141490	WSJHSYBXOMRMHK-UHFFFAOYSA-N	407.448	2.571	5	50	HFBA	
CCOC(=O)C1=C(COc2ccc(F)cc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	4689239	TURJFLIJLWDLHT-GOSISDBHSA-N	415.377	2.984	5	50	HFBA	
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1[C@@H](C(=O)OC)CC2	1745206	YKURBSSUYWJYME-NSHDSACASA-N	404.400	2.898	5	50	HFBA	
Cc1cc(NCC2(O)CN(C(=O)OC(C)(C)C)C2)nc(-c2cccc([N+](=O)[O-])c2)n1	225812366	QJRTXUBBDMJUIH-UHFFFAOYSA-N	415.450	2.754	5	50	HFBA	
CCOc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	1132921	HBBITCLMUMOWSQ-UHFFFAOYSA-N	407.448	2.707	5	50	HFBA	
Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccccc2C(N)=O)o1	2761206	PWTCORFWWCAQMP-UHFFFAOYSA-N	403.782	2.746	5	50	HFBA	
Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1	4575234	ZZUXOFDUSHOQNI-UHFFFAOYSA-N	410.474	2.702	5	50	HFBA	
CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	19853548	CKYMMJFQJKKGPS-UHFFFAOYSA-N	405.476	2.500	5	50	HFBA	
O=C(N[C@@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1	2863507	FNRIMTDSKCXVEI-QGZVFWFLSA-N	422.319	2.540	5	50	HFBA	
Cc1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCC2)c2cccc([N+](=O)[O-])c2)cc1	4819768	OHOHGNWBROFUDY-IBGZPJMESA-N	419.503	2.555	5	50	HFBA	
CCOC(=O)c1sc2ncn3nc([C@@H](C)n4cc([N+](=O)[O-])c(C)n4)nc3c2c1C	2791031	JAGRVBDTAIQAJQ-SNVBAGLBSA-N	415.435	2.847	5	50	HFBA	
CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	2865632	COQBTGKKOTYNKS-UHFFFAOYSA-N	408.461	2.592	5	50	HFBA	
NC(=O)c1ccc(N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c([N+](=O)[O-])c1	1875309782	NKTXYUIIMBXCQV-GFCCVEGCSA-N	422.363	2.998	5	50	HFBA	
N=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1Cl	261495053	ZKARAXFXDUFJAR-UHFFFAOYSA-N	408.745	2.966	5	50	HFBA	
NC(=O)c1cc(NC(=O)CN(c2c([N+](=O)[O-])ccc(F)c2F)C2CC2)ccc1F	1875306714	CRXNFIYAGFSJEV-UHFFFAOYSA-N	408.336	2.719	5	50	HFBA	
COCCN1C(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)Cn2c1nc1ccccc12	1848442704	GKNFSBXVRXVZNY-AWEZNQCLSA-N	423.429	2.583	5	50	HFBA	
CCn1cc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2CC)cn1	17082185	MIBSRSYCADAXKA-UHFFFAOYSA-N	401.452	2.820	5	50	HFBA	
COc1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	4821054	INXBKZFBWSCWIB-UHFFFAOYSA-N	416.459	2.567	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	12382693	LTAJSQLTORSAHL-NYUBLWNDSA-N	421.446	2.538	5	50	HFBA	
Cc1nn(Cc2ccccc2C(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6921031	TZNRFJBDEPPAOG-MRXNPFEDSA-N	411.340	2.539	5	50	HFBA	
O=C(O[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)c1cc(O)cc([N+](=O)[O-])c1	787747568	NNFUISVDASNZOB-KRWDZBQOSA-N	406.341	2.927	5	50	HFBA	
CCOC(=O)c1sc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)c(C(=O)OCC)c1C	12413644	IPEDDCHIUVNODL-JTQLQIEISA-N	424.435	2.714	5	50	HFBA	
CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	4964243	YCJOZJFUXXTCCX-UHFFFAOYSA-N	412.807	2.915	5	50	HFBA	
C[C@@H](CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])Cn1cccn1	229735071	PHSLMBGROQDEAL-CVEARBPZSA-N	421.523	2.960	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1N1CCCC1	4142995	QECXDRRLQAUULH-UHFFFAOYSA-N	416.503	2.706	5	50	HFBA	
Cc1ccc(Sc2ccc(C(=O)NCCN3CCNCC3)cc2[N+](=O)[O-])cc1	237871144	XFAZVMNVDXTOHN-UHFFFAOYSA-N	400.504	2.689	5	50	HFBA	
O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	5027830	FEJRVLCJWKHISO-UHFFFAOYSA-N	401.400	2.919	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1	4406377	OCDVQPPBFQQCJJ-UHFFFAOYSA-N	412.471	2.962	5	50	HFBA	aggregator
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1	9122782	GHHTXUBBFIJECJ-GCJKJVERSA-N	420.425	2.779	5	50	HFBA	
Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1[N+](=O)[O-]	2828026	IPPYDJLSGZBQGN-UHFFFAOYSA-N	413.415	2.746	5	50	HFBA	
COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c([N+](=O)[O-])c1	9850927	WQFKJYXZQKQYSN-UHFFFAOYSA-N	400.420	2.525	5	50	HFBA	
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19865942	RAZRUTRYTFVJIL-UHFFFAOYSA-N	403.822	2.935	5	50	HFBA	
NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)c(Cl)c1	225506504	SRTNLLIGZWCOFB-UHFFFAOYSA-N	406.203	2.507	5	50	HFBA	
COc1ccc([C@H](CO)CN=c2ccc3cc(F)cc([N+](=O)[O-])c3[nH]2)cc1OC	2325736521	NWTWTMHNXIHVHR-AWEZNQCLSA-N	401.394	2.909	5	50	HFBA	
Cc1cc(I)cnc1NC(=O)COc1ccc([N+](=O)[O-])cc1	1110004	BGMAATVXQIIYRZ-UHFFFAOYSA-N	413.171	2.920	5	50	HFBA	
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1	1138617	HCJYAEXAEWSGDG-SFHVURJKSA-N	412.402	2.879	5	50	HFBA	
NC(=O)[C@@H](NC(=O)CSc1ccccc1[N+](=O)[O-])c1cccc(Br)c1	478877344	WAPFEUJDLFFKDS-HNNXBMFYSA-N	424.276	2.792	5	50	HFBA	
CCOC(=O)[C@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	170595657	HWGFDSNYJDMPGJ-CHWSQXEVSA-N	401.485	2.625	5	50	HFBA	
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)O)CC2	2426579	UHPLSCVPLXQAHW-NRFANRHFSA-N	414.414	2.951	5	50	HFBA	
C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)n1nc(C(F)(F)F)c(Cl)c1C1CC1	2782295	HMMSGBCJKJVIAF-QMMMGPOBSA-N	420.779	2.915	5	50	HFBA	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	52537618	MXYGTTQDSZRRNS-UHFFFAOYSA-N	419.825	2.917	5	50	HFBA	
Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cccc([N+](=O)[O-])c2n1	302045134	XTUGJEDNDPPJCQ-UHFFFAOYSA-N	412.471	2.962	5	50	HFBA	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N	100448833	AHEBUSYVQNGHQU-UHFFFAOYSA-N	402.454	2.856	5	50	HFBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	4594364	JXCTYQQNDCENQB-UTKZUKDTSA-N	414.462	2.717	5	50	HFBA	
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc([N+](=O)[O-])cc1	940583	VKALBIIHJBBKHB-QGZVFWFLSA-N	407.390	2.518	5	50	HFBA	
CCOC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OC)cc1	8868751	XREDYUISRFIUGM-QGZVFWFLSA-N	417.374	2.936	5	50	HFBA	
CCOC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(OC)cc1	8868749	XREDYUISRFIUGM-KRWDZBQOSA-N	417.374	2.936	5	50	HFBA	
CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1	16346358	OCICCFGKFUZQQR-UHFFFAOYSA-N	410.477	2.711	5	50	HFBA	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1ccccc1	217712154	NZMQAHHANQBGMI-QEYSWXTQSA-N	403.394	2.769	5	50	HFBA	
CC[C@H](C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N=C1S	229812127	LKTGDKWMAZNANQ-APXLUKDGSA-N	416.503	2.949	5	50	HFBA	
CC1(C)CC(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)CC(C)(C)N1	2800732	SRHIACMHPAUISZ-UHFFFAOYSA-N	401.467	2.867	5	50	HFBA	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1	447158460	WSOBXDAUZROUJM-SNVBAGLBSA-N	401.366	2.569	5	50	HFBA	
O=C(COc1ccccc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@]1(O)C(F)(F)F	5091411	WKOSQGYNFCSNMZ-QGZVFWFLSA-N	409.320	2.861	5	50	HFBA	
CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1	755554	BNVDKTPOHKHILD-OAHLLOKOSA-N	408.366	2.959	5	50	HFBA	
CCCCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N=C1O	230009712	XDJZZRVSSBETBS-LAUBAEHRSA-N	414.462	2.969	5	50	HFBA	
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2noc3c2CCCCC3)CC1	170602145	CDDBRRVVGONDQS-UHFFFAOYSA-N	404.448	2.511	5	50	HFBA	
CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N=C1S	229812738	VLVUMFFSSUZIMU-HNAYVOBHSA-N	402.476	2.559	5	50	HFBA	
O=C(CNS(=O)(=O)c1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1	1115413	NZSBTDIIRJUWAR-UHFFFAOYSA-N	404.231	2.819	5	50	HFBA	
O=c1[nH]cc(Nc2cc(Nc3ccc(Cl)cc3)c3nonc3c2[N+](=O)[O-])c(=O)[nH]1	23114672	OYQNQUPTTCVBDD-UHFFFAOYSA-N	415.753	2.648	5	50	HFBA	
CCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21	100633119	MEMQSKPYPZTSIR-UHFFFAOYSA-N	422.510	2.988	5	50	HFBA	
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	844472	FFKHUXRZDMVHLC-GOSISDBHSA-N	411.370	2.695	5	50	HFBA	
CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	9009699	RLIRWKCNTHIPJR-IERDGZPVSA-N	414.462	2.763	5	50	HFBA	
CC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CSc1nc2ccccc2c2nc(=O)c(C)nn12	242389590	ZYPSJPLZINNVOK-XMDUPGNXSA-N	423.542	2.979	5	50	HFBA	
O=C(CCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCC1	5065396	MVZFFKJIOSWRMA-UHFFFAOYSA-N	403.460	2.951	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](NC(C)C)C(Cl)(Cl)Cl	19204087	FOVVCVVMXZKQEX-JTQLQIEISA-N	402.666	2.520	5	50	HFBA	
CN(C)CCCNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1	5125616	FLUSMUDYLSCLCG-XMHGGMMESA-N	414.437	2.573	5	50	HFBA	
Cc1c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])nnn1Cc1ccccc1F	225695089	NHMPEEVNZLOZHB-UHFFFAOYSA-N	419.438	2.667	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1CCO[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl	852977	VNMOUYKCLBRTSI-LBPRGKRZSA-N	411.629	2.836	5	50	HFBA	
O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1	3105133	YIKTVTIBWNLBFX-UHFFFAOYSA-N	419.459	2.787	5	50	HFBA	
O=C(O)c1cc(C(=O)O)cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1	2940304	UYMLFYRLDJCESF-UHFFFAOYSA-N	406.306	2.945	5	50	HFBA	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CCCC1	833447	ODZCAYONOMCPMV-UHFFFAOYSA-N	403.460	2.849	5	50	HFBA	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	4070709	CCISMTXHLGLMBT-UHFFFAOYSA-N	407.448	2.886	5	50	HFBA	
CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C	2736850	MHVHJHCHFHERMF-UHFFFAOYSA-N	404.448	2.798	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	4142561	LTAJSQLTORSAHL-OOSNJVJTSA-N	421.446	2.538	5	50	HFBA	
CCOC(=O)C1CCN(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)CC1	6326297	YBXZXAHFCCJFMN-UHFFFAOYSA-N	423.469	2.863	5	50	HFBA	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1O	35352888	RADRLKKOUZYSJG-QGZVFWFLSA-N	412.402	2.966	5	50	HFBA	
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]	110318668	LQCBHHHBLWPQCB-GOSISDBHSA-N	412.402	2.732	5	50	HFBA	
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	1131172	RUMGQNZNQUSRBB-UHFFFAOYSA-N	403.460	2.951	5	50	HFBA	
O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2nc3ccccc3n12	3043341	LNEBNJGHWFVDHH-MLPAPPSSSA-N	418.228	2.833	5	50	HFBA	
Cc1nc(N2CC[C@@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-]	952894995	WHEAFQFZYHCJMY-MRXNPFEDSA-N	421.339	2.849	5	50	HFBA	
COc1ccc(OC)c(NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)c1	1080546	UAVICXAJKFUMMO-UHFFFAOYSA-N	400.343	2.979	5	50	HFBA	
Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1	4740460	ZLLUJQSYGDYCAN-KRWDZBQOSA-N	408.458	2.605	5	50	HFBA	
COCCCn1ccc2nc3ccn(Cc4ccccc4OC)c(=O)c3cc2c1=O	38829090	JZLHKILKAZJPSO-UHFFFAOYSA-N	405.454	2.805	5	50	HFBA	
CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21	4554973	DPLPXKFPQDRXKT-KRWDZBQOSA-N	405.204	2.794	5	50	HFBA	
O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1	20387293	DAOXDOQCNGVGIA-UHFFFAOYSA-N	404.854	2.615	5	50	HFBA	
O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1	825117	OGCVISLADABBGE-RHYRJLECSA-N	407.426	2.781	5	50	HFBA	
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1	4673384	QUGNCDUWAWDSQJ-UHFFFAOYSA-N	421.475	2.815	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1	20614082	UMMWFSKOWOAFEX-UHFFFAOYSA-N	413.858	2.894	5	50	HFBA	
O=C(O)C(Cc1c2ccccc2c(CC(C(=O)O)C(=O)O)c2ccccc12)C(=O)O	2384206	DNUYOWCKBJFOGS-UHFFFAOYSA-N	410.378	2.649	5	50	HFBA	in-vitro
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NC1CC1	4499254	VUTDROZWHNDTQU-UHFFFAOYSA-N	402.476	2.680	5	50	HFBA	
COCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1	33932243	WKRSPGXTOIXPDB-XMHGGMMESA-N	413.430	2.527	5	50	HFBA	
COCCN1C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2)Cn2c1nc1ccccc12	1848442705	GKNFSBXVRXVZNY-CQSZACIVSA-N	423.429	2.583	5	50	HFBA	
COC(=O)c1ccc(-n2nnnc2SCc2ccc(OC)c([N+](=O)[O-])c2)cc1	1084490	PDXBPDHDHLTWDV-UHFFFAOYSA-N	401.404	2.658	5	50	HFBA	
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1[C@H](C(=O)OC)CC2	1744100	PVMOBVIQJZHLTI-LLVKDONJSA-N	404.400	2.898	5	50	HFBA	
O=C(NCCC12CC3CC(CC(C3)C1)C2)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	4784707	KFHJUFYOCMLXMX-UHFFFAOYSA-N	400.439	2.559	5	50	HFBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(S)N(C4CC4)C3=O)[C@H]2C1	245325533	FOKAVCWXEQFMQC-GAFLKWJRSA-N	414.487	2.559	5	50	HFBA	
O=[N+]([O-])c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	19800171	ORWYAHKQGSPFHL-UHFFFAOYSA-N	400.460	2.838	5	50	HFBA	
O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)NC1CCCCC1	39408899	GJQPSFFCZUPXAA-UHFFFAOYSA-N	403.508	2.775	5	50	HFBA	
COc1c(O)ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1[N+](=O)[O-]	4820929	HKFSTXIUXCMYEX-MRXNPFEDSA-N	412.402	2.884	5	50	HFBA	
CCOc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	4813961	OYDNXDNYJXDNOA-ZWKOTPCHSA-N	417.443	2.606	5	50	HFBA	
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O	4917087	HNVSVEJURGDVGA-KBVGCWLLSA-N	401.400	2.983	5	50	HFBA	
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(=O)Nc1ccccc1C	17090308	PGJXMVUXNUUBLP-UHFFFAOYSA-N	415.479	2.685	5	50	HFBA	
Cc1nccn1-c1ccccc1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-]	241139490	JRJIBSMVEMAQLM-UHFFFAOYSA-N	400.460	2.751	5	50	HFBA	
C=CC(=O)N1CCC(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1	1875369255	DAPUSCPLXKVHDV-OAHLLOKOSA-N	403.332	2.878	5	50	HFBA	
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	844473	FFKHUXRZDMVHLC-SFHVURJKSA-N	411.370	2.695	5	50	HFBA	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	253428610	KHAUBUSPZMYHJE-JLSDUUJJSA-N	418.494	2.935	5	50	HFBA	
Cc1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCC2)c2cccc([N+](=O)[O-])c2)cc1	4819767	OHOHGNWBROFUDY-LJQANCHMSA-N	419.503	2.555	5	50	HFBA	
O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	752978	GXSWLKAMHSUMPC-UHFFFAOYSA-N	421.413	2.505	5	50	HFBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1	4575399	FQKSACVJBUKKHQ-UHFFFAOYSA-N	404.492	2.679	5	50	HFBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCc1ccc(Cl)cc1	1067844	QHDMHSXICLDHAZ-UHFFFAOYSA-N	401.648	2.875	5	50	HFBA	
Cc1ccc(Nc2nc(NCC(C)(C)N3CCOCC3)nc(N)c2[N+](=O)[O-])cc1	170621889	OJRUNXCJIKCLJG-UHFFFAOYSA-N	401.471	2.542	5	50	HFBA	
CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	1067487	KDFPCOWGDKRZJD-HXUWFJFHSA-N	422.441	2.829	5	50	HFBA	
O=C(COc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	1891964	OMCGDXAQEVTANJ-UHFFFAOYSA-N	419.440	2.902	5	50	HFBA	
CN(CCCC(=O)N1CCCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2862873	AEDYHOSLCLXNRR-UHFFFAOYSA-N	417.487	2.975	5	50	HFBA	
Cc1nc(N2CC[C@@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-]	952891732	BSJDTFKZURKMEI-MRXNPFEDSA-N	421.339	2.849	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1	1146181	DXBNEPDFCBIQJD-VBQJREDUSA-N	409.320	2.699	5	50	HFBA	
O=C1C=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc(Cl)c1	3878553	PLSGFVPWIDXJMI-UHFFFAOYSA-N	412.833	2.828	5	50	HFBA	
Cc1nnc(C)n1-n1ccc2nc3ccn(-c4cccc(Cl)c4)c(=O)c3cc2c1=O	38829282	MHUALOPEFOYZOO-UHFFFAOYSA-N	418.844	2.874	5	50	HFBA	
CNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4	6718458	BAORCAMWLWRZQG-UHFFFAOYSA-N	407.426	2.668	5	50	HFBA	
CCc1ccc(OCCNc2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])cc1	19798440	MEOGKBZISRSFBI-UHFFFAOYSA-N	414.506	2.762	5	50	HFBA	
CCN(CC)[C@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)c1ccco1	464048795	TZHGUTIZPXLSDH-MRXNPFEDSA-N	402.451	2.942	5	50	HFBA	
Cn1c(=O)n(C)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)c(Br)cc21	1060518	IQTCDUIQBFMZLV-UHFFFAOYSA-N	405.208	2.800	5	50	HFBA	
COc1cc(/C=C(/NC(C)=O)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)=O	1232614	HBZYQQQZSZMUFK-RQZCQDPDSA-N	413.386	2.644	5	50	HFBA	
COC(=O)[C@H](Cc1cn(Cc2ccc([N+](=O)[O-])c(C)c2)cn1)NC(=O)OC(C)(C)C	2581164	QICAMETZWUJWGH-INIZCTEOSA-N	418.450	2.757	5	50	HFBA	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O	4688009	KXBUKXBKIBZFPK-HGLKBHAMSA-N	401.400	2.983	5	50	HFBA	
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1	20605930	DNSCFZDGAYMRPK-UHFFFAOYSA-N	400.460	2.762	5	50	HFBA	
O=[N+]([O-])c1nn(Cc2cccc(-c3nn4cnnc4s3)c2)cc1Br	20606029	ZWNOAXPJVXOHCY-UHFFFAOYSA-N	406.225	2.768	5	50	HFBA	
CSCC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)O	6794393	BJIMQCBKRAEPBP-AWEZNQCLSA-N	410.473	2.746	5	50	HFBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)NCCn1cc(Br)cn1	5041481	RVKIREQXTFOCGW-UHFFFAOYSA-N	400.258	2.549	5	50	HFBA	
C[C@H]1CN(c2ccc(C(=O)N3CC(Oc4ccc([N+](=O)[O-])cc4)C3)cn2)C[C@H](C)O1	170605653	KOILROGZMJLNSG-GJZGRUSLSA-N	412.446	2.507	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(C)(=O)=O	2890356	MSXSLYPGXQAVRU-UHFFFAOYSA-N	421.475	2.933	5	50	HFBA	
COc1cc(C(=O)NCc2cccc(N3CCC3=O)c2)c([N+](=O)[O-])cc1OC(F)F	225660589	HKVLBSXZRLTTBF-UHFFFAOYSA-N	421.356	2.872	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O	1110698	BJOGSUYPQVKGSE-UHFFFAOYSA-N	413.839	2.662	5	50	HFBA	
CC1(C)CC(C)(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)COc2ccccc2[N+](=O)[O-])C1	2325828489	ILKPSCCCKMWICY-GJZGRUSLSA-N	401.463	2.612	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1	13303158	NQSQSODDYSCIEY-LALPHHSUSA-N	415.349	2.760	5	50	HFBA	
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	19632713	UIAGMCDKSXEBJQ-LJQANCHMSA-N	418.446	2.971	5	50	HFBA	biogenic,fda
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1	169413821	KCHCKPCXEDFKQB-VBQJREDUSA-N	409.320	2.699	5	50	HFBA	
Cc1csc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)n1	170603705	IVYZMGVDYUDWHX-UHFFFAOYSA-N	406.283	2.909	5	50	HFBA	
COc1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])cc1OC	2086683	JNAWJOZNMAKYRQ-UHFFFAOYSA-N	416.434	2.838	5	50	HFBA	
Cc1c(NC(=O)C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-]	442620882	MUZVHXIWGCPOQV-INIZCTEOSA-N	410.474	2.965	5	50	HFBA	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1ccccc1	9122781	GHHTXUBBFIJECJ-XMSQKQJNSA-N	420.425	2.779	5	50	HFBA	
COc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	4853828	UVWOCACDZRICRF-UHFFFAOYSA-N	414.823	2.845	5	50	HFBA	
COc1ccccc1N1CCN(C(=O)c2ccc3nc4ccccc4c(=O)n3c2)CC1	6784987	LAFJRLVMSBRTDM-UHFFFAOYSA-N	414.465	2.819	5	50	HFBA	
COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O	9261159	QOVVZZQHIUFAQO-RIYZIHGNSA-N	415.383	2.991	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C[C@](C)(O)C(=O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	253372052	DFQLPYSPKQLGGU-WOYCLPQFSA-N	421.446	2.538	5	50	HFBA	
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1	229716519	BQGTWXFEMJVWKM-RRQGHBQHSA-N	401.467	2.816	5	50	HFBA	
CN1CCN(c2nc(NCCNc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)CC1	4703348	JVRHGEVECXBUIE-UHFFFAOYSA-N	407.478	2.814	5	50	HFBA	
CC1=NN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)[C@](O)(C(F)(F)F)C1	653656	FUHDQGAGIQCGHN-OAHLLOKOSA-N	415.328	2.522	5	50	HFBA	
CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1[N+](=O)[O-]	1198247	NDDZUTXXLCVRJO-UHFFFAOYSA-N	412.446	2.914	5	50	HFBA	
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1	100627849	NELTVNJYERIPEK-MRXNPFEDSA-N	421.501	2.543	5	50	HFBA	
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1	100627848	NELTVNJYERIPEK-INIZCTEOSA-N	421.501	2.543	5	50	HFBA	
NS(=O)(=O)c1ccc(N[C@@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	225463052	HXVGPVWGRYKWDL-LBPRGKRZSA-N	406.247	2.695	5	50	HFBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(S)N(C4CC4)C3=O)[C@H]2C1	245325535	FOKAVCWXEQFMQC-VATIQMLTSA-N	414.487	2.559	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O	1145886	XABIJCBWKIWYHA-UHFFFAOYSA-N	407.448	2.625	5	50	HFBA	
CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1	4618787	HSCXZLBHHZQLGB-UHFFFAOYSA-N	412.855	2.597	5	50	HFBA	
CCOc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)O)C2=O)c([N+](=O)[O-])c1	8741916	CIMODUGKZNQRMF-CQSZACIVSA-N	417.399	2.511	5	50	HFBA	
CCOC(=O)c1sc2ncn3nc([C@H](C)n4cc([N+](=O)[O-])c(C)n4)nc3c2c1C	2791032	JAGRVBDTAIQAJQ-JTQLQIEISA-N	415.435	2.847	5	50	HFBA	
O=C(NCCO)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1	4498003	RVTHZIYRQCCMLK-RGEXLXHISA-N	421.409	2.734	5	50	HFBA	
COC(=O)CCCN(C)C(=O)C(C)(C)Nc1cc(Br)ccc1[N+](=O)[O-]	253419478	XQVMZOOLJIPCOG-UHFFFAOYSA-N	416.272	2.959	5	50	HFBA	
O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1nccs1	1156242	YTRBNRJNGFHZNI-NHUHVJRWSA-N	403.419	2.928	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3c(F)cccc3Cl)n2)cc1	2804137	LMCLBYKMJYWTIP-UHFFFAOYSA-N	411.802	2.828	5	50	HFBA	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1	833451	ZMKYUGMWJRTKOK-UHFFFAOYSA-N	403.460	2.803	5	50	HFBA	
CN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)C23CC(F)(C2)C3)C1	2325827380	DQNHKHZOKGJLFH-MJFLBVNOSA-N	401.438	2.696	5	50	HFBA	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1nc(-c2ccccc2)cs1	2658255	OCKOCPMBSWFREZ-UHFFFAOYSA-N	408.395	2.953	5	50	HFBA	
O=C(COc1ccccc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@]1(O)C(F)(F)F	5091413	WKOSQGYNFCSNMZ-KRWDZBQOSA-N	409.320	2.861	5	50	HFBA	
Cc1nn(Cc2ccccc2C(=O)N2N=CC[C@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6921032	TZNRFJBDEPPAOG-INIZCTEOSA-N	411.340	2.539	5	50	HFBA	
CCn1ncc(Cl)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O	2774776	FWLCBWIEEROKJZ-UHFFFAOYSA-N	404.235	2.950	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1CC(=O)NCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	170620201	WIPBLEDOKPHABZ-QJRTVWDNSA-N	411.300	2.950	5	50	HFBA	
CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	2827166	HOPQPVCNYJYRAS-UHFFFAOYSA-N	407.448	2.934	5	50	HFBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	230038647	JXCTYQQNDCENQB-LAUBAEHRSA-N	414.462	2.717	5	50	HFBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn(Cc3ccc(F)cc3Cl)n2)c1	17089040	UHRLRRQQTKOEAT-UHFFFAOYSA-N	411.802	2.828	5	50	HFBA	
O=C1[C@H]2[C@H](C(=O)N1c1nccs1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21	1156240	YTRBNRJNGFHZNI-CXIVCQEWSA-N	403.419	2.928	5	50	HFBA	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccco1	839681	MYAVJTFCWXGPLC-UHFFFAOYSA-N	415.427	2.700	5	50	HFBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@@H](O)CN1CCCCC1)c1ccccc1	864148	UYVLCSCMMQANCE-SFHVURJKSA-N	419.503	2.637	5	50	HFBA	
O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc3cc(Br)cnc3n12	1196476	XDWBEUPKZBUQBA-XGICHPGQSA-N	403.217	2.523	5	50	HFBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2c(O)cc(S(=O)(=O)O)c3ccccc23)c1	6089030	RXNNDJRFAHJSAM-UHFFFAOYSA-N	424.412	2.501	5	50	HFBA	
Cc1nn(C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C)c1Br	1430676	IJYHELWLPOCTFB-UHFFFAOYSA-N	421.049	2.778	5	50	HFBA	
O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(c2ccc(F)cc2)CC1	2461842	LJNPRBCZBZPTQO-UHFFFAOYSA-N	402.429	2.949	5	50	HFBA	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)no1	2754802	HCWHPVDEGPNBHG-UHFFFAOYSA-N	416.415	2.873	5	50	HFBA	
CC(=O)c1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1	3612515	WIDOZNOGUNGLLW-UHFFFAOYSA-N	405.432	2.511	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCCCC2)c2ccccc2)cc1	4951729	SKHSYQGEZBRUSI-IBGZPJMESA-N	419.503	2.637	5	50	HFBA	
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NCc1cccnc1	1114270	HHFNZPXIQPFFTK-UHFFFAOYSA-N	415.409	2.683	5	50	HFBA	
CSCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)O	5671335	BJIMQCBKRAEPBP-CQSZACIVSA-N	410.473	2.746	5	50	HFBA	
CCOc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	19851039	VEQCMMUETCVTGY-UHFFFAOYSA-N	405.476	2.500	5	50	HFBA	
O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20166731	YNXAYVNYJDCZLE-UHFFFAOYSA-N	403.822	2.935	5	50	HFBA	
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c([N+](=O)[O-])cc1OC	1135141	BDAFUBOTEHKCBV-VGOFMYFVSA-N	401.350	2.844	5	50	HFBA	
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O	4917088	HNVSVEJURGDVGA-HGLKBHAMSA-N	401.400	2.983	5	50	HFBA	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1	247367689	GHHTXUBBFIJECJ-PGRDOPGGSA-N	420.425	2.779	5	50	HFBA	
O=C(O)c1ccc(-c2ccc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1Cl	5063144	JXXCOXAGQKJLCL-GORDUTHDSA-N	403.734	2.753	5	50	HFBA	
COc1ccc(CN2CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1F	170648627	UCGZWDDTCODCPW-UHFFFAOYSA-N	417.437	2.902	5	50	HFBA	
Cc1c(Cl)cccc1NC(=S)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	96100764	PHFSUCHEGNFXPU-UHFFFAOYSA-N	400.869	2.737	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O	1062075	RZABVJCGIFDPJG-CYBMUJFWSA-N	407.448	2.705	5	50	HFBA	
COc1cc(I)c([N+](=O)[O-])cc1I	218668920	FHHITWDCJKUHAS-UHFFFAOYSA-N	404.929	2.813	5	50	HFBA	
CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1	4820959	OWUZIPRWLKWLFK-UHFFFAOYSA-N	412.446	2.671	5	50	HFBA	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cccc1[N+](=O)[O-]	9057765	ACCWCQYSLVBNRV-UHFFFAOYSA-N	413.415	2.746	5	50	HFBA	
O=C(CCn1ccc2ccccc21)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	1772492847	SUEASGXTWMXEDA-RDJZCZTQSA-N	406.442	2.747	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	1156980	ITIUZSNIOMYOIO-UHFFFAOYSA-N	403.460	2.943	5	50	HFBA	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@@H]34)[C@H]2C(=O)N1Cc1ccccc1	245235211	IFMAYTGULJHYIV-CZOCOAOWSA-N	417.425	2.970	5	50	HFBA	
O=C(O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NS(=O)(=O)/C=C/c1ccc(Cl)cc1	776536697	LPMKMRMETBTLAK-ZNFPLGDCSA-N	410.835	2.834	5	50	HFBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	1076437	BBCMUWOOQMGCOJ-ZDUSSCGKSA-N	407.423	2.773	5	50	HFBA	
COc1cccc(N(CCCCO)C(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1	2877647	LGPDXSNNQFHBQH-UHFFFAOYSA-N	403.460	2.897	5	50	HFBA	
N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)S1	6974601	YHTWZLLHMFCBPW-ZSOIEALJSA-N	405.413	2.501	5	50	HFBA	
COc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	1142823	QHVKWHXFEVDQBB-UHFFFAOYSA-N	413.839	2.662	5	50	HFBA	
COc1cc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC	19549537	VULUTERUVSESGM-UHFFFAOYSA-N	415.446	2.579	5	50	HFBA	
O=[N+]([O-])c1cnc(Nc2cccc(N3CCN(CC4CC4)CC3)c2)[nH]c1=NC1CC1	2325719730	BOWNPLGUSCCBOY-UHFFFAOYSA-N	409.494	2.657	5	50	HFBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O	2871797	ADDIWEAPMGGESM-UHFFFAOYSA-N	411.867	2.957	5	50	HFBA	
COC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc(C(=O)OC)c1	997987	KOGMWXUVGXXROA-LBPRGKRZSA-N	416.386	2.882	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1CCO[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl	852978	VNMOUYKCLBRTSI-GFCCVEGCSA-N	411.629	2.836	5	50	HFBA	
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	4686111	PIDAKPFYXFZVOB-UHFFFAOYSA-N	421.929	2.866	5	50	HFBA	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(Br)cc1	1858203	CFOBJJUPQBXEJQ-UHFFFAOYSA-N	421.203	2.513	5	50	HFBA	
CCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21	799054	ROYMDZAZNICIIX-UHFFFAOYSA-N	408.483	2.680	5	50	HFBA	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O	8737928	JUKVFILQAKUIKO-QGZVFWFLSA-N	409.358	2.500	5	50	HFBA	
CCOC(=O)N1CCN(c2cc(N3CCN(CC)CC3)c(F)cc2[N+](=O)[O-])C[C@H]1C	5027847	VILROXNCRXPOMD-OAHLLOKOSA-N	423.489	2.543	5	50	HFBA	
Cc1nn([C@@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1[N+](=O)[O-]	2800487	RGTYNHPVADXOJN-ZDUSSCGKSA-N	403.406	2.794	5	50	HFBA	
CCOC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	55226456	LJLIJZXNGHHLPB-KSMMKXTCSA-N	416.478	2.744	5	50	HFBA	
Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3Cc3ccco3)c(=O)n2c1	100627300	GSROWTBVGQJKJO-UHFFFAOYSA-N	417.469	2.751	5	50	HFBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1	952893399	LOTCZNWPAAAESB-MRXNPFEDSA-N	422.323	2.714	5	50	HFBA	
O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)[C@@H]1CCCC[C@]1(N1CCOCC1)O2	22065013	QCKOELLDBHAPRZ-JBACZVJFSA-N	403.479	2.579	5	50	HFBA	
COc1cc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])cc1OC	2086717	PPBNSTKWSXLJSN-UHFFFAOYSA-N	416.434	2.838	5	50	HFBA	
Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4575227	BXLHVPBJQKTISJ-UHFFFAOYSA-N	410.474	2.702	5	50	HFBA	
NC(=O)C1(N2CCCCC2)CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	4624254	FKYKQYUXMIWXRC-UHFFFAOYSA-N	400.401	2.924	5	50	HFBA	
O=C(COc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1O	9095029	MZXRCBPFAYKKKX-UHFFFAOYSA-N	414.155	2.923	5	50	HFBA	
CCCc1cc2c(=O)n(NC(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(C)nc2s1	2780517	CBOPKOCKLOLMQB-UHFFFAOYSA-N	418.479	2.601	5	50	HFBA	
C=CC(=O)N1CCC(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1	1875369254	DAPUSCPLXKVHDV-HNNXBMFYSA-N	403.332	2.878	5	50	HFBA	
COc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-]	4189228	MTIUTIDIGGGLFW-UHFFFAOYSA-N	411.867	2.768	5	50	HFBA	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	253428617	KHAUBUSPZMYHJE-ZTFGCOKTSA-N	418.494	2.935	5	50	HFBA	
CCN1CCN(c2cc(N3CCN(C(=O)C(C)(C)C)CC3)c([N+](=O)[O-])cc2F)CC1	4983809	QSRFSRLSXFVGIL-UHFFFAOYSA-N	421.517	2.571	5	50	HFBA	
COc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-]	4561503	LFTYZGSSDFPXSA-UHFFFAOYSA-N	411.867	2.768	5	50	HFBA	
O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	138544743	BNSAJMZXAPGHAE-RCCFBDPRSA-N	412.833	2.784	5	50	HFBA	
O=C([C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)N1CCCCC1	725857	RZCUFNJDJYZPLC-LJQANCHMSA-N	407.426	2.815	5	50	HFBA	
COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)N(C(C)=O)CC2	752650	KBWOZZOJARTKQX-FQEVSTJZSA-N	400.387	2.835	5	50	HFBA	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C(=O)N1c1ccccc1	247320500	LOGYSZUFTVYLIL-GGPCPXQKSA-N	403.394	2.769	5	50	HFBA	
Cc1c([N+](=O)[O-])cc(I)c(N)c1I	4366129	PVERXMYYYHZCHE-UHFFFAOYSA-N	403.945	2.695	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	13303155	NQSQSODDYSCIEY-JMSVASOKSA-N	415.349	2.760	5	50	HFBA	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1	13427044	HRGJNHXILMPDRT-LALPHHSUSA-N	415.349	2.760	5	50	HFBA	
CCOC(=O)C[C@H](NS(=O)(=O)c1cc(C)ccc1OC)c1cccc([N+](=O)[O-])c1	8868262	UJPVNRHJLHKUOT-INIZCTEOSA-N	422.459	2.885	5	50	HFBA	
CC(C)[C@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	2068231	AAUHRYMOXGIHPM-GOSISDBHSA-N	410.382	2.642	5	50	HFBA	
CN(C)C(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	4558642	UULWHXHNHQAXGN-VIFPVBQESA-N	414.702	2.849	5	50	HFBA	
O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4688077	HQSFGAPMXMFVFQ-UHFFFAOYSA-N	412.446	2.520	5	50	HFBA	
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)N1CCCN1[C@H]2c1ccc(Cl)cc1	138543679	BNSAJMZXAPGHAE-OKZBNKHCSA-N	412.833	2.784	5	50	HFBA	
CCCOc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	3623736	NPRGDQWCCRCSBI-KRWDZBQOSA-N	408.432	2.878	5	50	HFBA	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCC1	4322938	MQDBWJHMWDUZCE-UHFFFAOYSA-N	403.460	2.849	5	50	HFBA	
COCCN1C(=O)C[C@@H](CNc2ncc(C)cc2[N+](=O)[O-])[C@@H]1c1cnn(C(C)C)c1	328604204	IWKWXVMHONPRHI-HNAYVOBHSA-N	416.482	2.724	5	50	HFBA	
COc1ccc(C(=O)NCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1	2886227	LBXOPTUONMEYMX-UHFFFAOYSA-N	413.459	2.954	5	50	HFBA	
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	225608328	XLPWFIXIVXFKAU-LJQANCHMSA-N	409.446	2.919	5	50	HFBA	
COC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C(=O)N(C)C)c1C	2872701	FOYBTPPPUKCMJB-UHFFFAOYSA-N	421.431	2.714	5	50	HFBA	
Cc1nc(N2CC[C@@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-]	952892907	JPEHQLCVNQRLRU-MRXNPFEDSA-N	421.339	2.849	5	50	HFBA	
COc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1[N+](=O)[O-]	9111466	CHEMGCOJECDEFI-UHFFFAOYSA-N	407.429	2.869	5	50	HFBA	
Cc1c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C	100562507	MSJVVYLSIGWDRS-UHFFFAOYSA-N	414.334	2.953	5	50	HFBA	
Cc1nn([C@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1[N+](=O)[O-]	2800488	RGTYNHPVADXOJN-CYBMUJFWSA-N	403.406	2.794	5	50	HFBA	
COc1ccc(Cc2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	2814749	UQHFPCGFJJYCNY-UHFFFAOYSA-N	406.445	2.847	5	50	HFBA	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OC(F)F	21487101	CKXVFIPITDNXJD-UHFFFAOYSA-N	412.345	2.777	5	50	HFBA	
COCCN(Cc1scnc1C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	225618396	ILCTVOWJXRYXSC-UHFFFAOYSA-N	401.448	2.834	5	50	HFBA	
N=C1NC(=O)/C(=C/c2ccccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)S1	7001479	KSDLAOOJUBQTOO-ZROIWOOFSA-N	405.413	2.501	5	50	HFBA	
CC1(C)CC(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)[N+]=3[O-])CC(C)(C)N1	4616688	GUZWEHOVUKMANF-UHFFFAOYSA-N	401.511	2.598	5	50	HFBA	
O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccc(Cl)cc1	19832310	VEVDQWCONYIHMQ-SFHVURJKSA-N	414.849	2.702	5	50	HFBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(Br)cc1	1120981	BOBXMTYATCCZNG-UHFFFAOYSA-N	419.187	2.697	5	50	HFBA	
COC(=O)c1ccc(CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	489396082	YRHZUJDSPNBSJE-ZDUSSCGKSA-N	401.419	2.849	5	50	HFBA	
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1	2891210	WWIUKEHDVXYGFC-CQSZACIVSA-N	419.459	2.643	5	50	HFBA	
CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1	4755814	XUJAVPDKOUOELN-XNTDXEJSSA-N	404.220	2.874	5	50	HFBA	
Cc1cccn2c(=O)c3cc(C(=O)N4CCCCC4)c(=N)n(Cc4ccco4)c3nc12	100627278	AIIWPZONBQWKQX-UHFFFAOYSA-N	417.469	2.704	5	50	HFBA	
O=C(c1cc(-n2cnnc2)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	5050733	WLJCRKIEHTZBAE-UHFFFAOYSA-N	412.837	2.791	5	50	HFBA	
O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1	4703759	HYRLVEONOUVXAH-MRXNPFEDSA-N	400.435	2.741	5	50	HFBA	
COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-]	1138562	JCJWHGKUHWZVCC-KRWDZBQOSA-N	421.203	2.779	5	50	HFBA	
Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(C(C)C)c3nc12	100630670	JSKRSYBRLUZRMB-UHFFFAOYSA-N	415.497	2.990	5	50	HFBA	
O=C(CCN1CCOCC1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1	20057523	XYVMWNAIOQDKGQ-NRFANRHFSA-N	408.458	2.995	5	50	HFBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)c1	20614104	YBUCHZKSAKLWGT-UHFFFAOYSA-N	413.858	2.894	5	50	HFBA	
O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1)c1ccccc1Cl	4976826	GOGBLXLZNLTHLO-AQTBWJFISA-N	415.833	2.878	5	50	HFBA	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	35877060	QTCDZFZPHYKERE-UHFFFAOYSA-N	407.338	2.942	5	50	HFBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1	17083210	KJMOXXOSQURFSR-UHFFFAOYSA-N	405.520	2.870	5	50	HFBA	
COc1ccc(CNC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1	1159213	GOPMHELKHCLKNG-UHFFFAOYSA-N	413.459	2.807	5	50	HFBA	
Cc1cc(I)ccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	2884715	SWSRLBNRRQARDR-UHFFFAOYSA-N	414.203	2.960	5	50	HFBA	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	1167738	HRGJNHXILMPDRT-ZOWXZIJZSA-N	415.349	2.760	5	50	HFBA	
CCOC(=O)C1=C(COc2ccc(F)cc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	4689240	TURJFLIJLWDLHT-SFHVURJKSA-N	415.377	2.984	5	50	HFBA	
CCOC(=O)CSc1cc(SCC(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-]	71770438	FWMVUCGKUVIGNF-UHFFFAOYSA-N	404.422	2.813	5	50	HFBA	
CCOC(=O)N(C(=O)OCC)c1ncc([N+](=O)[O-])cc1I	409420655	NWSLCWUYPRDCAY-UHFFFAOYSA-N	409.136	2.714	5	50	HFBA	
Cc1nc(N2CC[C@](c3nc(-c4ccncc4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-]	952892906	JPEHQLCVNQRLRU-INIZCTEOSA-N	421.339	2.849	5	50	HFBA	
C[C@H]1CN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CCN1CC(C)(C)O	170602685	KCIGJJRRWUFEKY-ZDUSSCGKSA-N	404.492	2.636	5	50	HFBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	230038641	JXCTYQQNDCENQB-UWJYYQICSA-N	414.462	2.717	5	50	HFBA	
Cc1ccc(N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1	2900913	YBRANISRJSQQQL-HNNXBMFYSA-N	417.399	2.769	5	50	HFBA	
CCOC(=O)c1sc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)c(C(=O)OCC)c1C	12413643	IPEDDCHIUVNODL-SNVBAGLBSA-N	424.435	2.714	5	50	HFBA	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1	1061944	BRJCCICAKOHFSN-UHFFFAOYSA-N	415.789	2.637	5	50	HFBA	
O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1	20386260	YNRWEGUOKVAIEQ-UHFFFAOYSA-N	404.854	2.615	5	50	HFBA	
CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N=C1S	229812728	VLVUMFFSSUZIMU-KXBFYZLASA-N	402.476	2.559	5	50	HFBA	
CCNc1cc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-]	4703646	IAWRHHARMAVTGS-UHFFFAOYSA-N	404.492	2.679	5	50	HFBA	
COCCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	4031851	JDYLLSOIZAKOEV-FRXJQHJJSA-N	415.490	2.672	5	50	HFBA	
O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCOCC1	1209763	GPGKYRAMDAROJU-UHFFFAOYSA-N	421.335	2.796	5	50	HFBA	
Cc1c(Br)c([N+](=O)[O-])nn1Cc1nc(-c2ccc3c(c2)OCO3)no1	4744886	DNNBDOHQMYTRHH-UHFFFAOYSA-N	408.168	2.689	5	50	HFBA	
CCn1ccc(CN(C)C(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)n1	2809201	PRDFWWMEYJFPCQ-UHFFFAOYSA-N	402.842	2.982	5	50	HFBA	
COc1cccc(N2CCN(C(=O)c3ccc4nc5ccccc5c(=O)n4c3)CC2)c1	2965652	ZSIMBSROIZHCRH-UHFFFAOYSA-N	414.465	2.819	5	50	HFBA	
CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(Cl)c1	1063539	HYGKHPHGYTUSDG-UHFFFAOYSA-N	401.803	2.792	5	50	HFBA	
CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	2080787	ZWWFBFIDJZUZCM-MRXNPFEDSA-N	423.447	2.590	5	50	HFBA	
COCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1	2308139	WKRSPGXTOIXPDB-RGEXLXHISA-N	413.430	2.527	5	50	HFBA	
CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	19854138	HRQVZPPCXVAZEN-UHFFFAOYSA-N	405.476	2.500	5	50	HFBA	
Cc1c(NC(=O)C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)cccc1[N+](=O)[O-]	442620884	MUZVHXIWGCPOQV-MRXNPFEDSA-N	410.474	2.965	5	50	HFBA	
COCCN1C(=O)C[C@@H](CNc2nccc(C)c2[N+](=O)[O-])[C@@H]1c1cnn(C(C)C)c1	328607102	UMWARLMVUZRINC-HNAYVOBHSA-N	416.482	2.724	5	50	HFBA	
COCCCn1c(=O)c2ccc3c(=O)n4c5ccccc5nc4c4ccc(c1=O)c2c34	4031816	PSAGCNRZKVKNBY-UHFFFAOYSA-N	411.417	2.741	5	50	HFBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c1	20613954	UKCYEUNFDDKWLR-UHFFFAOYSA-N	413.858	2.894	5	50	HFBA	
O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]43)[C@H]2C(=O)N1c1ccccc1	247328089	NZMQAHHANQBGMI-MYLBCWQPSA-N	403.394	2.769	5	50	HFBA	
CN(C)C(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl	3130744	QAKLULBVOFIQHE-VIFPVBQESA-N	414.702	2.849	5	50	HFBA	
O=C(c1ccccc1)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	5060966	USCLORDKMKHHQO-UHFFFAOYSA-N	414.437	2.533	5	50	HFBA	
CCCCOC[C@H]1C[C@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4706742	REGJQKBZKFXKOF-IUODEOHRSA-N	409.464	2.546	5	50	HFBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@](c2nc(-c3ccccc3)no2)(C(F)(F)F)C1	952893398	LOTCZNWPAAAESB-INIZCTEOSA-N	422.323	2.714	5	50	HFBA	
O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2cncc(Cl)c2)cc([N+](=O)[O-])c1	2916913	NROUDCOJHIJNCN-UHFFFAOYSA-N	419.741	2.574	5	50	HFBA	
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1	844445	ILQOPYNFADFQSM-SFHVURJKSA-N	411.370	2.695	5	50	HFBA	
NS(=O)(=O)c1cccc(NCc2cccnc2-n2cnc3ccccc32)c1[N+](=O)[O-]	253419459	NHSAPNYBGUDEIR-UHFFFAOYSA-N	424.442	2.588	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	13154461	AQIDWBRXCNUVNG-NYUBLWNDSA-N	421.446	2.538	5	50	HFBA	
C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1150562	WJNNGOZYGXMDLC-JTQLQIEISA-N	416.773	2.659	5	50	HFBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1	1076439	BBCMUWOOQMGCOJ-CYBMUJFWSA-N	407.423	2.773	5	50	HFBA	
CCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21	100677439	QAISFCKTMKIHDE-UHFFFAOYSA-N	401.470	2.777	5	50	HFBA	
CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	2833259	LVTUPRXONRVHRJ-UHFFFAOYSA-N	402.432	2.835	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1	17083208	XLIOWKZNXOUCEJ-UHFFFAOYSA-N	405.520	2.870	5	50	HFBA	
COC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CC[C@H](C(C)(C)C)C2	1754437	UHNKQUIWLXUNQN-JTQLQIEISA-N	421.479	2.824	5	50	HFBA	
Cc1cccc([N+](=O)[O-])c1-n1cc(CNC(=O)c2cc(=O)c3ccccc3o2)nn1	1875336942	KYBSAYMQUXOUNM-UHFFFAOYSA-N	405.370	2.520	5	50	HFBA	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1[N+](=O)[O-]	1109802	YQBXQKGCUHPIHW-UHFFFAOYSA-N	408.414	2.929	5	50	HFBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1	17083209	FDJYVKSKWUNOMD-UHFFFAOYSA-N	405.520	2.870	5	50	HFBA	
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]	2979662	IKAIODGWXUDCEV-UHFFFAOYSA-N	416.459	2.567	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc4c(c3)OCCO4)CC2)cc1	6402478	BGJWNGVLAAWLMI-UHFFFAOYSA-N	400.460	2.885	5	50	HFBA	
O=C1C[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1	3619771	XWVBLRRMMCHTJB-PIGZYNQJSA-N	406.391	2.676	5	50	HFBA	
N=C1NC(=O)/C(=C/c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)S1	6975056	NMHNPPMFCHXGSS-ZROIWOOFSA-N	405.413	2.501	5	50	HFBA	
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]	110318671	LQCBHHHBLWPQCB-SFHVURJKSA-N	412.402	2.732	5	50	HFBA	
CCCCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N=C1O	230009706	XDJZZRVSSBETBS-UWJYYQICSA-N	414.462	2.969	5	50	HFBA	
CCOC(=O)C1=C(CN2CCCCCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	55226454	BIVGJUAVKZJSRQ-GOSISDBHSA-N	402.451	2.642	5	50	HFBA	
CCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21	100627746	ZMVMWLRBEVWMJA-HNNXBMFYSA-N	401.470	2.948	5	50	HFBA	
O=C(N/C(=C/c1ccc(Cl)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1	825097	GAGCMHZCNDHNLL-QGOAFFKASA-N	415.833	2.878	5	50	HFBA	
COc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC	19549822	AXIFXCYLEQSLTN-UHFFFAOYSA-N	415.446	2.579	5	50	HFBA	
O=C1[C@H]2[C@@H]3C[C@@H]([C@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@@H]34)[C@H]2C(=O)N1Cc1ccccc1	245235212	IFMAYTGULJHYIV-JJDILSOYSA-N	417.425	2.970	5	50	HFBA	
Cc1nn(CCCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)c1[N+](=O)[O-]	4176425	CQSQCRYKELTUOW-UHFFFAOYSA-N	405.480	2.866	5	50	HFBA	
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c([N+](=O)[O-])c1	6690875	NUWIQGZIKRCEJH-UHFFFAOYSA-N	419.459	2.705	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O	1141814	XPLYCYKUTONEFG-UHFFFAOYSA-N	413.839	2.662	5	50	HFBA	
O=C(c1cccc2c1OCCO2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	5119885	ZHXYCWBAZSYOPJ-UHFFFAOYSA-N	403.822	2.982	5	50	HFBA	
O=[N+]([O-])c1ccc(N(C[C@@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1	4951953	UUUQDROCQQKEJG-IBGZPJMESA-N	419.503	2.637	5	50	HFBA	
CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1O	13125717	MLHUPLDNXQGEON-OVCLIPMQSA-N	401.350	2.931	5	50	HFBA	
C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1150175	HPVUFWIICVGCIM-VIFPVBQESA-N	418.203	2.981	5	50	HFBA	
O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1	4703758	HYRLVEONOUVXAH-INIZCTEOSA-N	400.435	2.741	5	50	HFBA	
COc1cc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Br)ccc1OC(F)F	6412863	CKWMPHRRGMVPOB-UHFFFAOYSA-N	407.127	2.943	5	50	HFBA	
Cn1c(Cc2ccccc2)nnc1Sc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	2873563	NLHKETXOKWIFFM-UHFFFAOYSA-N	404.473	2.869	5	50	HFBA	
CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	1067483	KDFPCOWGDKRZJD-FQEVSTJZSA-N	422.441	2.829	5	50	HFBA	
CCOC(=O)C1CCN(C(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)CC1	2795278	LSUBQJOCCWMXSM-UHFFFAOYSA-N	414.462	2.872	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1	20614088	ZYPQMJBSHWGYJL-UHFFFAOYSA-N	413.858	2.894	5	50	HFBA	
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O	4290084	HETBBLCCCAMTIH-VIFPVBQESA-N	418.203	2.981	5	50	HFBA	
CCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21	100642492	KFEIUQYAWAPYCM-UHFFFAOYSA-N	408.483	2.762	5	50	HFBA	
CCOC(=O)N1CCN(c2cc(N3CCN(CC)CC3)c(F)cc2[N+](=O)[O-])C[C@@H]1C	5027848	VILROXNCRXPOMD-HNNXBMFYSA-N	423.489	2.543	5	50	HFBA	
Cc1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c(=O)n(-c2ccccc2)n1C	8921374	IUPCUXJIUWTDQL-UHFFFAOYSA-N	420.381	2.751	5	50	HFBA	
COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	865169	ZPIYOUKRDROBQM-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
CC1=C(C(=O)OC2CCCC2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)NC(=O)N1C	2941484	GUFKDOZSNUQIAS-KRWDZBQOSA-N	403.391	2.779	5	50	HFBA	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1	4694033	UWSINSUGHFGQPK-UHFFFAOYSA-N	412.855	2.597	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl	13658153	MDFUTGQSRAYONU-SNVBAGLBSA-N	415.686	2.722	5	50	HFBA	
CC[C@@H](C(=O)NCCCn1cc([N+](=O)[O-])cn1)n1nc(C(F)(F)F)c2c1CCC2	20607612	XNMQBADMDNQOLD-ZDUSSCGKSA-N	414.388	2.653	5	50	HFBA	
Cc1[nH]nc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1[N+](=O)[O-]	170594515	HEKGFQJAXKSBKY-UHFFFAOYSA-N	408.370	2.918	5	50	HFBA	
CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	1147134	ZTWWIPJQUTZXKA-UHFFFAOYSA-N	401.803	2.792	5	50	HFBA	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1	16346151	UFMIOTLUNYWBSV-UHFFFAOYSA-N	403.347	2.821	5	50	HFBA	
Cc1nc(N2CC[C@](c3nc(-c4cccnc4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-]	952891722	BSJDTFKZURKMEI-INIZCTEOSA-N	421.339	2.849	5	50	HFBA	
Cn1c([C@H]2CCCN2S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)nc2c1CCCC2	170616382	KQGBZZABIDKUQA-QGZVFWFLSA-N	408.455	2.872	5	50	HFBA	
CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	252430810	LJLIJZXNGHHLPB-LPMFXHHGSA-N	416.478	2.744	5	50	HFBA	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1	36056511	HRGJNHXILMPDRT-YWPYICTPSA-N	415.349	2.760	5	50	HFBA	
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4144149	CQLBJUAAUIMCLZ-UHFFFAOYSA-N	414.437	2.533	5	50	HFBA	
CC1=NN(C(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)[C@@](O)(C(F)(F)F)C1	653617	YVRMBCJHNUFVKG-INIZCTEOSA-N	411.340	2.621	5	50	HFBA	
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1	17088428	OJXZMAFJLIPMEL-MRXNPFEDSA-N	410.382	2.944	5	50	HFBA	
CCOCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21	100677357	QYLAWPMZSGSOHM-UHFFFAOYSA-N	423.517	2.618	5	50	HFBA	
O=C([C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)N1CCCCC1	725856	RZCUFNJDJYZPLC-IBGZPJMESA-N	407.426	2.815	5	50	HFBA	
CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1cccc([N+](=O)[O-])c1	4872567	JDIVHTJKCXCYGZ-UHFFFAOYSA-N	415.537	2.543	5	50	HFBA	
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1	1050716	MOTMVVUXAOZZRS-UHFFFAOYSA-N	415.789	2.637	5	50	HFBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccc(O)c(Br)c1	44124191	YXVGRUAHETYAGG-UHFFFAOYSA-N	401.238	2.584	5	50	HFBA	
O=C(CN1C(=O)c2ccccc2C1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	1903979	KUIWUUMOEBUQAF-UHFFFAOYSA-N	408.395	2.953	5	50	HFBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nc(-c2ccccc2)cs1	2854834	ZUYCSLRVOXMYBM-UHFFFAOYSA-N	408.395	2.953	5	50	HFBA	
CCOc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1	4813960	OYDNXDNYJXDNOA-QZTJIDSGSA-N	417.443	2.606	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1NC1CC1	4688278	WBRLFNXSRYVFCY-UHFFFAOYSA-N	420.466	2.819	5	50	HFBA	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1O	35352890	RADRLKKOUZYSJG-KRWDZBQOSA-N	412.402	2.966	5	50	HFBA	
NC(=O)c1c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)sc2c1CCCC2	2766870	YRFCLMDIBGPRAA-UHFFFAOYSA-N	415.431	2.724	5	50	HFBA	
COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1OC	865215	FPYOPAQZSIVYCB-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1	225608300	XLPWFIXIVXFKAU-IBGZPJMESA-N	409.446	2.919	5	50	HFBA	
CCC1(CC)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[S@@]1=O	170597570	GCCUCPNVZRGLCO-NDEPHWFRSA-N	407.536	2.961	5	50	HFBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1	1140384	CUMSDOSTSYUQBQ-IBGZPJMESA-N	422.485	2.796	5	50	HFBA	
CC(C)C[C@@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O	5092399	ZAAHMCZTFYZBSA-RBFDBLARSA-N	415.402	2.574	5	50	HFBA	
O=[N+]([O-])c1cccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	13323857	DZKWTXRXXMJRCU-UHFFFAOYSA-N	400.460	2.838	5	50	HFBA	
COC(=O)[C@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(c1)oc(=O)c1ccccc12	630283	DAULUUDYACNKMI-NWDGAFQWSA-N	400.383	2.827	5	50	HFBA	
CSc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	19853557	CIDOYXQOABFQRU-UHFFFAOYSA-N	407.517	2.823	5	50	HFBA	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)c1	4801937	OOPTYNABUPXJLZ-SFHVURJKSA-N	412.402	2.879	5	50	HFBA	
COc1cc2c(cc1OC)C(c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1)=NCC2	1857526862	CTJFPIPEOWZREO-UHFFFAOYSA-N	410.474	2.757	5	50	HFBA	
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	2873169	GDZDEUXUWZQQDL-UHFFFAOYSA-N	407.448	2.607	5	50	HFBA	
O=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	136317663	PSIPYZBNSNOTQZ-RCCFBDPRSA-N	412.833	2.784	5	50	HFBA	
CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	4157229	OTVQVNOZHAMDTQ-UHFFFAOYSA-N	413.386	2.698	5	50	HFBA	
COc1ccc(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1	8683009	REKZREGUTSIEOZ-JTQLQIEISA-N	415.686	2.722	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	13154459	AQIDWBRXCNUVNG-WIRSXHRWSA-N	421.446	2.538	5	50	HFBA	
CCOc1ccc(N2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1	4813959	OYDNXDNYJXDNOA-ROUUACIJSA-N	417.443	2.606	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	4142537	AQIDWBRXCNUVNG-IKVWTGGYSA-N	421.446	2.538	5	50	HFBA	
CCOC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	15319600	LJLIJZXNGHHLPB-PJIJBLCYSA-N	416.478	2.744	5	50	HFBA	
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	1101746	ALWCSMMWHRZAKB-UHFFFAOYSA-N	411.414	2.872	5	50	HFBA	
CCOC(=O)c1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1	1068660	QCPJWFRQXMGAQE-UHFFFAOYSA-N	411.212	2.678	5	50	HFBA	
CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC)cc2)cc1[N+](=O)[O-]	2983720	IWTQRCIADDOMNW-UHFFFAOYSA-N	403.416	2.907	5	50	HFBA	
COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	2062991	IVHUVQQIAMJHLU-UHFFFAOYSA-N	414.370	2.526	5	50	HFBA	
O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3cncc4ccccc34)CC2)c1	225572682	KVSWNKMBEUVVEF-LJQANCHMSA-N	408.458	2.705	5	50	HFBA	
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1	4724445	GKAMXFKRFCEGIM-UHFFFAOYSA-N	411.487	2.961	5	50	HFBA	
COc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	10861036	PWMAOVYREJQROQ-UHFFFAOYSA-N	420.838	2.963	5	50	HFBA	
CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	4624192	GFCZIBIAPBZACK-SFHVURJKSA-N	402.451	2.688	5	50	HFBA	
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	5065415	FUCNWXFQNWTPEU-UHFFFAOYSA-N	413.839	2.516	5	50	HFBA	
Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1	43190944	NMDDVHFHJYNBQQ-UHFFFAOYSA-N	412.402	2.718	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)[C@@](C)(O)C[C@@H](C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1	253372051	DFQLPYSPKQLGGU-JJDSTIRJSA-N	421.446	2.538	5	50	HFBA	
Cc1c(C(=O)N(C)C)sc2ncn3nc(COc4ccc([N+](=O)[O-])cc4)nc3c12	2792733	GONQUOLPUDPLQY-UHFFFAOYSA-N	412.431	2.836	5	50	HFBA	
COCCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	4031850	JDYLLSOIZAKOEV-NAVXVDNBSA-N	415.490	2.672	5	50	HFBA	
O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc(Br)cc1	4739212	NUPRREVUFKAVAO-UHFFFAOYSA-N	400.254	2.748	5	50	HFBA	
CCOC(=O)N1CCN(c2ccc(C(=O)NC3CCCCC3)cc2[N+](=O)[O-])CC1	4660059	JGTOIHPVIURXEZ-UHFFFAOYSA-N	404.467	2.936	5	50	HFBA	
Cc1nc([N+](=O)[O-])c(C(=O)OCc2cccc(I)c2)n1C	1432520	PZSRIXFFLPDDFY-UHFFFAOYSA-N	401.160	2.598	5	50	HFBA	
O=C(NCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1	12360102	YJEUPQDMGWRQGS-UHFFFAOYSA-N	408.393	2.828	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	12382695	LTAJSQLTORSAHL-WIRSXHRWSA-N	421.446	2.538	5	50	HFBA	
CN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CC(NC(=O)C23CC(F)(C2)C3)C1	2325827379	DQNHKHZOKGJLFH-IEZAMLAKSA-N	401.438	2.696	5	50	HFBA	
O=C(c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])n1nnc2ccccc21	1136160	AHBAXECPUUSCFN-UHFFFAOYSA-N	408.395	2.861	5	50	HFBA	
Cc1nn(C)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2O)c1Cl	2776569	SFSQDNJLVRHGGF-UHFFFAOYSA-N	404.235	2.776	5	50	HFBA	
COc1cc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC	4614171	JWTLKFZNBODQRY-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]	1114304	UJPJHBBPRHNOEU-UHFFFAOYSA-N	416.459	2.567	5	50	HFBA	
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)NC(=O)N1C	2941482	GUFKDOZSNUQIAS-QGZVFWFLSA-N	403.391	2.779	5	50	HFBA	in-vitro
CN1CCC(N(C)[C@@H]2CCCC[C@@H]2N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	170690747	KJPLVBLDMVFXFT-MSOLQXFVSA-N	424.567	2.553	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1	5059737	YAUQJOTWZMTIKJ-UHFFFAOYSA-N	403.460	2.943	5	50	HFBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1	1118816	PPWBJVYSHSLECP-UHFFFAOYSA-N	419.459	2.705	5	50	HFBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2c[nH]c3ccccc23)CC1	19913957	QXVQONXEZSKWFX-UHFFFAOYSA-N	400.460	2.583	5	50	HFBA	
COc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1	4686994	NLEUHVLENFEBCP-OAHLLOKOSA-N	414.823	2.751	5	50	HFBA	
CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])c(C(N)=O)c1	1458541444	NVUOSHDZFIMHTJ-ZDUSSCGKSA-N	414.245	2.877	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1	4142521	AQIDWBRXCNUVNG-OOSNJVJTSA-N	421.446	2.538	5	50	HFBA	
COC(=O)c1cc(N2CCC(n3cncn3)CC2)c(Br)cc1[N+](=O)[O-]	1875325945	HNICLSQOBNWFCS-UHFFFAOYSA-N	410.228	2.577	5	50	HFBA	
CC(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	856668	LTAJSQLTORSAHL-IKVWTGGYSA-N	421.446	2.538	5	50	HFBA	
CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)n1	10077516	SIERJTINCQZYGC-UHFFFAOYSA-N	405.461	2.971	5	50	HFBA	
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	19849801	WVHUNAFKZPSXQU-QGZVFWFLSA-N	413.386	2.637	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	4834260	ZTCKWQJRCWHVOK-MRXNPFEDSA-N	417.443	2.530	5	50	HFBA	
Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)cc21	4838896	OBKGJIYJQKOQHQ-UHFFFAOYSA-N	408.458	2.605	5	50	HFBA	
NC[C@@H](Cc1ccccc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	170606455	WEGWGVBNAUAERZ-YLJYHZDGSA-N	403.504	2.956	5	50	HFBA	
CCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21	100627819	WRLBYUCYWSBHTR-UHFFFAOYSA-N	405.458	2.760	5	50	HFBA	
CC(=O)Nc1ccc(S(=O)(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1	4618788	IOQDGRFORCSFFH-UHFFFAOYSA-N	412.855	2.597	5	50	HFBA	
COc1ccc(OC)c(-c2csc(NC(=O)CCn3cc([N+](=O)[O-])cn3)n2)c1	2744012	FRQVNXNWBUYQES-UHFFFAOYSA-N	403.420	2.961	5	50	HFBA	
CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	2080786	ZWWFBFIDJZUZCM-INIZCTEOSA-N	423.447	2.590	5	50	HFBA	
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl	2814806	YYSPDQNXXUOXKD-UHFFFAOYSA-N	413.839	2.662	5	50	HFBA	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1[N+](=O)[O-]	1766774	NHTLAHBFSFOUHZ-UHFFFAOYSA-N	413.415	2.746	5	50	HFBA	
O=C1[C@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccccc1)[C@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@@H]31	247320516	LOGYSZUFTVYLIL-KMBCLYMLSA-N	403.394	2.769	5	50	HFBA	
CSc1nnc2c(n1)O[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc([N+](=O)[O-])cc21	15015585	LYAKRFNUDJMQAC-SFHVURJKSA-N	408.399	2.778	5	50	HFBA	
COc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc(OC)c1OC	2285100	FHKWJZUWUKOWFD-UHFFFAOYSA-N	409.395	2.887	5	50	HFBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1c3ccccc3C=CN1[C@H]2C(=O)c1ccc([N+](=O)[O-])cc1	252694470	LFBANCJFDNIJKX-FUMNGEBKSA-N	417.421	2.808	5	50	HFBA	biogenic
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1	12139891	DXBNEPDFCBIQJD-CPUCHLNUSA-N	409.320	2.699	5	50	HFBA	
CCOc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)O)C2=O)c([N+](=O)[O-])c1	19879308	CIMODUGKZNQRMF-AWEZNQCLSA-N	417.399	2.511	5	50	HFBA	
C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	253428615	KHAUBUSPZMYHJE-OLMNPRSZSA-N	418.494	2.935	5	50	HFBA	
Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NC[C@@H]2CCCO2)cc1	6190194	VNZHREGXWAZLCY-KYYPIKSYSA-N	409.442	2.969	5	50	HFBA	
O=[N+]([O-])c1cccc(N(C[C@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)c1	4951944	QKVYGEBUKSCOJK-LJQANCHMSA-N	419.503	2.637	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	1124706	GDCVOVHYOWBCKA-UHFFFAOYSA-N	413.839	2.516	5	50	HFBA	
O=[N+]([O-])c1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCOCC3)o2)c1	854968	XCDQUZKRENHALM-UHFFFAOYSA-N	415.427	2.919	5	50	HFBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CN2CCCCC2)c2ccccc2)cc1	4951725	SKHSYQGEZBRUSI-LJQANCHMSA-N	419.503	2.637	5	50	HFBA	
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCCC2)c1=N	100627840	VTKJSCQNGSJIEU-UHFFFAOYSA-N	423.517	2.709	5	50	HFBA	
O=[N+]([O-])c1cnc(N2CCOC[C@H]2c2ncn(Cc3ccccc3)n2)c(Cl)c1	253417570	AUJSZZIJHLAKGP-INIZCTEOSA-N	400.826	2.861	5	50	HFBA	
CCOc1ccc(N2CC3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1	4753683	XMWSTGRNHFBXPL-IBGZPJMESA-N	408.414	2.991	5	50	HFBA	
CC(C)(C)OC(=O)N1CCCc2c(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cccc21	328593380	JUQFLFLHPJDQSM-UHFFFAOYSA-N	401.423	2.936	5	50	HFBA	
O=C(N/C(=C/c1ccccc1Cl)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1	825103	OMTLNRFAWRODPR-QGOAFFKASA-N	415.833	2.878	5	50	HFBA	
CC1=NN(C(=O)c2ccc(Cn3nc([N+](=O)[O-])cc3C)cc2)[C@](O)(C(F)(F)F)C1	653620	YVRMBCJHNUFVKG-MRXNPFEDSA-N	411.340	2.621	5	50	HFBA	
CC(=O)Nc1ccc(N[N+](=O)c2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	409415936	NHIPLZABOQSNLA-UHFFFAOYSA-O	403.331	2.857	5	50	HFBA	
Cn1c(=O)n(C)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])c(Br)cc21	2876717	CFMFRXCKOBVKHV-UHFFFAOYSA-N	405.208	2.800	5	50	HFBA	
O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)[C@@H]1CCCC[C@@]1(N1CCOCC1)O2	22065017	QCKOELLDBHAPRZ-SESVDKBCSA-N	403.479	2.579	5	50	HFBA	
CC(C)(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N=C1O	229959933	RLIRWKCNTHIPJR-KKSFZXQISA-N	414.462	2.968	5	50	HFBA	
CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1	229716504	BQGTWXFEMJVWKM-XOKHGSTOSA-N	401.467	2.816	5	50	HFBA	
Cc1cc(C)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	4263272	ZSDRSJQHHMAXRP-UHFFFAOYSA-N	416.459	2.810	5	50	HFBA	
COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	19632718	UIAGMCDKSXEBJQ-IBGZPJMESA-N	418.446	2.971	5	50	HFBA	biogenic,fda
CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21	4554972	DPLPXKFPQDRXKT-QGZVFWFLSA-N	405.204	2.794	5	50	HFBA	
O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1CCO	40398699	QJBOTWUPBFHXGE-UHFFFAOYSA-N	402.237	3.000	5	50	HFBA	
CCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21	798960	AQBSQHRXYILVSB-UHFFFAOYSA-N	414.874	2.635	5	50	HFBA	
O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1cccc(Cl)c1	4044669	SEYCODILKILAQV-GOSISDBHSA-N	414.849	2.702	5	50	HFBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	101550105	QQICTSNXQWQHQU-ZBWGKUOUSA-N	419.437	2.958	5	50	HFBA	
COc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-]	36047379	NJAQBVVHGHMHCO-VMPITWQZSA-N	417.487	2.623	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O	1062073	RZABVJCGIFDPJG-ZDUSSCGKSA-N	407.448	2.705	5	50	HFBA	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1	2830436	LMANNHCKQJFUEN-UHFFFAOYSA-N	422.485	2.796	5	50	HFBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1	8690069	OHJPWGPMXDFSLK-UHFFFAOYSA-N	424.910	2.942	5	50	HFBA	
O=C(COc1ccccc1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1)Nc1ccccc1	13483368	OKNUCUOVJMPZDI-KHPPLWFESA-N	408.370	2.572	5	50	HFBA	
COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC	3878512	NUDFBYHUXLJSIL-UHFFFAOYSA-N	401.419	2.583	5	50	HFBA	
CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CC(O)(CC)C2)c([N+](=O)[O-])c1	170601957	YXBREYKZMQWHLD-UHFFFAOYSA-N	405.476	2.771	5	50	HFBA	
CC(C)OC(=O)c1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc(C(=O)OC(C)C)c1	651327	OYBDHJWWRRPIPH-UHFFFAOYSA-N	418.406	2.560	5	50	HFBA	
Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1	2804157	WUDXYDFWJONMOX-LBPRGKRZSA-N	403.406	2.680	5	50	HFBA	
NC(=O)c1ccc(Cn2nc(I)c3ccc([N+](=O)[O-])cc32)cc1	240333529	FEATZWQVCQMWAE-UHFFFAOYSA-N	422.182	2.696	5	50	HFBA	
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	1122022	GYZKHLMECYZOOI-UHFFFAOYSA-N	407.448	2.689	5	50	HFBA	
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-c2cccc([N+](=O)[O-])c2)cc1	1144217	OCNITTRIAVIBRM-UHFFFAOYSA-N	406.398	2.612	5	50	HFBA	
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	1063239	GIJYDTHDQFAPDV-UHFFFAOYSA-N	413.839	2.516	5	50	HFBA	
CC[C@H](C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N=C1S	229812141	LKTGDKWMAZNANQ-SLSDUTBNSA-N	416.503	2.949	5	50	HFBA	
COc1ccccc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1	887175	LSVGQUFWNPDOPT-UHFFFAOYSA-N	409.398	2.672	5	50	HFBA	
O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1=O	4807724	UPZBEDCUYPOYQT-LBPRGKRZSA-N	407.791	2.766	5	50	HFBA	
COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4811143	HMLJXHMIGRKQFT-UHFFFAOYSA-N	414.487	2.749	5	50	HFBA	
CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	19849802	WVHUNAFKZPSXQU-KRWDZBQOSA-N	413.386	2.637	5	50	HFBA	
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)N1C(=O)c2ccccc2C1=O	4290085	HETBBLCCCAMTIH-SECBINFHSA-N	418.203	2.981	5	50	HFBA	
Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1	2782319	RPXSFCUZJFXSHY-UHFFFAOYSA-N	416.266	2.521	5	50	HFBA	
O=[N+]([O-])c1cc(-c2nnc(N3CCOCC3)c3ccccc23)ccc1N1CCOCC1	4172263	ACDFAIPTJCDFGF-UHFFFAOYSA-N	421.457	2.878	5	50	HFBA	
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)no1	8779751	VOGPEFVDIRIIEX-UHFFFAOYSA-N	402.388	2.944	5	50	HFBA	
Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nc2c3cnn(-c4ccccc4)c3ncn2n1	2804156	WUDXYDFWJONMOX-GFCCVEGCSA-N	403.406	2.680	5	50	HFBA	
CNS(=O)(=O)c1ccc(N[C@@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	225462975	YFQUMOSKYVCICA-ZDUSSCGKSA-N	420.274	2.955	5	50	HFBA	
COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccccc2[N+](=O)[O-])CC1	4725309	OUNWFAOJXROIQQ-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
Cc1c(C(N)=O)sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C(=O)OC(C)C	2102295	UNGMWCSBVJYJQJ-UHFFFAOYSA-N	421.431	2.646	5	50	HFBA	
Cn1c(C2CC2)nc2cc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])ccc21	225830810	ZABWPMZGGQCQFN-UHFFFAOYSA-N	404.423	2.977	5	50	HFBA	
Cc1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1I	2853214	KQKYSYYMZBKIQW-UHFFFAOYSA-N	413.171	2.920	5	50	HFBA	
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	35973744	FSZMQNDQHGDUOZ-SFHVURJKSA-N	413.386	2.551	5	50	HFBA	
Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	1065572	JIWQKLHTQAFVBI-UHFFFAOYSA-N	421.475	2.855	5	50	HFBA	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N1c1ccccc1	230036468	GHHTXUBBFIJECJ-AVRDEDQJSA-N	420.425	2.779	5	50	HFBA	
Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1cccc(COC2CCOCC2)c1	170618715	PLDJUCVDNFBGRI-UHFFFAOYSA-N	403.410	2.942	5	50	HFBA	
O=C(CSc1cc([N+](=O)[O-])cc(S(=O)(=O)Cc2ccccc2)c1)NC1CC1	655267	GZOJMFCWXHQCCS-UHFFFAOYSA-N	406.485	2.939	5	50	HFBA	
COc1ccc(CCNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	4917254	UTIABIDHIARYKK-UHFFFAOYSA-N	411.458	2.815	5	50	HFBA	
COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-]	1138560	JCJWHGKUHWZVCC-QGZVFWFLSA-N	421.203	2.779	5	50	HFBA	
COC(=O)COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	2859021	MUCXLJUIBAUUMF-UHFFFAOYSA-N	400.796	2.601	5	50	HFBA	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1NC1CC1	4543464	DLYTVVDKWFGJLG-UHFFFAOYSA-N	416.503	2.821	5	50	HFBA	
O=C(Nc1ccccc1N1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4821420	DKSUFHIZSDQLPY-UHFFFAOYSA-N	412.446	2.520	5	50	HFBA	
CC(C)(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N=C1O	229959939	RLIRWKCNTHIPJR-HRAATJIYSA-N	414.462	2.968	5	50	HFBA	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CCN(c2c(F)cccc2F)C1	447158459	WSOBXDAUZROUJM-JTQLQIEISA-N	401.366	2.569	5	50	HFBA	
Cc1cc(I)ccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C	1428825	PGPCQQBDINQZTR-UHFFFAOYSA-N	400.176	2.651	5	50	HFBA	
CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	1110092	USRSWZVILRWYPU-CYBMUJFWSA-N	407.448	2.689	5	50	HFBA	
O=c1c2ccccc2ncn1Cc1ccc(I)cc1[N+](=O)[O-]	2529396	HUZMGIBUDVCWPX-UHFFFAOYSA-N	407.167	2.958	5	50	HFBA	
CCOC(=O)C1=C(CN2C[C@@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	32459145	LJLIJZXNGHHLPB-BIENJYKASA-N	416.478	2.744	5	50	HFBA	
CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	1782167	YJHAUVXPMAXODW-GOSISDBHSA-N	417.443	2.529	5	50	HFBA	
CCOc1ccc(N2CC3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1	4753684	XMWSTGRNHFBXPL-LJQANCHMSA-N	408.414	2.991	5	50	HFBA	
CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O	34795922	KAAPWTAWAFAYRZ-VGOFMYFVSA-N	401.350	2.931	5	50	HFBA	
CCn1cc(-c2cc(C(=O)NCCn3cc([N+](=O)[O-])cn3)c3ccccc3n2)cn1	2806876	SRPJKDHIIPYJMV-UHFFFAOYSA-N	405.418	2.653	5	50	HFBA	
O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	1134849	NYPMNIUMHOXFLE-UHFFFAOYSA-N	411.414	2.857	5	50	HFBA	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cccc1[N+](=O)[O-]	4814273	RHTBBNPYWSVLLI-HNNXBMFYSA-N	419.459	2.613	5	50	HFBA	
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1	4543692	ABFMFDYEFGZMCF-UHFFFAOYSA-N	410.474	2.702	5	50	HFBA	
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc([N+](=O)[O-])cc1	940584	VKALBIIHJBBKHB-KRWDZBQOSA-N	407.390	2.518	5	50	HFBA	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@H]34)[C@H]2C(=O)N1Cc1ccccc1	245235213	IFMAYTGULJHYIV-UJZMIBOKSA-N	417.425	2.970	5	50	HFBA	
NC[C@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	170606452	WEGWGVBNAUAERZ-PXNSSMCTSA-N	403.504	2.956	5	50	HFBA	
CCCCOC[C@@H]1C[C@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4706741	REGJQKBZKFXKOF-DOMZBBRYSA-N	409.464	2.546	5	50	HFBA	
N=C1NC(=O)/C(=C/c2cccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)S1	6974593	WOSHKMRLDNLMNR-ZROIWOOFSA-N	405.413	2.501	5	50	HFBA	
COc1ccc(OC)c(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)c1	1162007	OOPTYNABUPXJLZ-GOSISDBHSA-N	412.402	2.879	5	50	HFBA	
CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	229900621	MBRANFPVIJLCSR-GTXQTCRKSA-N	414.462	2.763	5	50	HFBA	
COc1cc2nc3c4ccccc4n(CCN4C(=O)CCC4=O)c3nc2cc1OC	4873464	OJMXJQCOONPMNF-UHFFFAOYSA-N	404.426	2.904	5	50	HFBA	
COc1cc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC	19549554	AIFRAQFQEUDZKV-UHFFFAOYSA-N	415.446	2.579	5	50	HFBA	
Cc1nn(C)c(C(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)c1[N+](=O)[O-]	653120	UIUKLNMWFUCPRN-UHFFFAOYSA-N	412.303	2.690	5	50	HFBA	
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl	1142930	AFACXJJGVZHAQZ-UHFFFAOYSA-N	413.839	2.662	5	50	HFBA	
O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Br)cc2)cc1	4739199	OACICLIGDJBFGI-UHFFFAOYSA-N	400.254	2.748	5	50	HFBA	
Cc1ccc(S(=O)(=O)NCC(=O)OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1	1125311	FXGPTNDTTZPOAQ-UHFFFAOYSA-N	416.814	2.717	5	50	HFBA	
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1	35973745	FSZMQNDQHGDUOZ-GOSISDBHSA-N	413.386	2.551	5	50	HFBA	
CN1CCC(N(C)[C@@H]2CCCC[C@H]2N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	253369946	KJPLVBLDMVFXFT-QZTJIDSGSA-N	424.567	2.553	5	50	HFBA	
CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c(C)n1	2779072	CRONILGVZUMLCA-UHFFFAOYSA-N	400.439	2.846	5	50	HFBA	
COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(Cc3c(F)cccc3Cl)CC2)n1	225536917	IGESGBFWWFRHKO-UHFFFAOYSA-N	408.817	2.891	5	50	HFBA	
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1	8767366	OZRPANKJSBKFQR-GOSISDBHSA-N	412.402	2.879	5	50	HFBA	
CC1=NN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)[C@@](O)(C(F)(F)F)C1	653653	FUHDQGAGIQCGHN-HNNXBMFYSA-N	415.328	2.522	5	50	HFBA	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O	8737927	JUKVFILQAKUIKO-KRWDZBQOSA-N	409.358	2.500	5	50	HFBA	
O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	19850983	MJYUTVHWUPRPAH-UHFFFAOYSA-N	403.822	2.935	5	50	HFBA	
COCCNc1ccc(C(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)cc1[N+](=O)[O-]	225743952	QTHQURTZQNWRGJ-QGZVFWFLSA-N	412.446	2.885	5	50	HFBA	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	674397	YVLFQGQOQPGYTH-UHFFFAOYSA-N	407.448	2.643	5	50	HFBA	
O=C(NN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccncc1	1234076	SIGVZVWQPHKONO-UHFFFAOYSA-N	404.338	2.723	5	50	HFBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1	1875389640	WOUCKWADZKGRID-UHFFFAOYSA-N	413.415	2.857	5	50	HFBA	
C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)n1nc(C(F)(F)F)c(Cl)c1C1CC1	2782296	HMMSGBCJKJVIAF-MRVPVSSYSA-N	420.779	2.915	5	50	HFBA	
CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21	798998	NKXBQBNUZDGBIQ-CQSZACIVSA-N	408.483	2.932	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	1121501	BCDDEZWINSCBBY-KRWDZBQOSA-N	417.443	2.530	5	50	HFBA	
COc1cc(OC)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	4749637	IKQNHGGQPZWEPP-UHFFFAOYSA-N	401.419	2.583	5	50	HFBA	
COc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1	4393321	VJYWONMCFNDWOF-OAHLLOKOSA-N	402.384	2.726	5	50	HFBA	
Cn1c(=O)c2c(nc(Sc3c4ccccc4nc4ccccc34)n2C)n(C)c1=O	4171226	FTNCBSDIFAZMFY-UHFFFAOYSA-N	403.467	2.823	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1	100736555	NQSQSODDYSCIEY-YWPYICTPSA-N	415.349	2.760	5	50	HFBA	
COc1ccc(NC(=S)N[C@@H](NC(C)=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1	8683008	REKZREGUTSIEOZ-SNVBAGLBSA-N	415.686	2.722	5	50	HFBA	
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1	17088429	OJXZMAFJLIPMEL-INIZCTEOSA-N	410.382	2.944	5	50	HFBA	
O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3cncc4ccccc34)CC2)c1	225572649	KVSWNKMBEUVVEF-IBGZPJMESA-N	408.458	2.705	5	50	HFBA	
Cc1ccc(Oc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c[n+]1[O-]	170597195	NXFLVFFZSMHZSM-ZDUSSCGKSA-N	407.448	2.750	5	50	HFBA	
CC(C)C[C@@H](CO)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl	225834979	TVFVXFNQTKKLIB-QMMMGPOBSA-N	415.693	2.696	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1	1164706	NQSQSODDYSCIEY-ZOWXZIJZSA-N	415.349	2.760	5	50	HFBA	
COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2C)c([N+](=O)[O-])c1	6790275	QJFLFPFJKQYLKU-UHFFFAOYSA-N	400.416	2.581	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	1121498	BCDDEZWINSCBBY-QGZVFWFLSA-N	417.443	2.530	5	50	HFBA	
CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	19889986	DVEQLJUZHNHFCR-UHFFFAOYSA-N	405.476	2.500	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1	5060133	JWLXZXHHNNYMLS-UHFFFAOYSA-N	403.460	2.943	5	50	HFBA	
O=C(CSc1nncs1)Nc1ccc([N+](=O)[O-])c(I)c1	170617644	ZDMRPDPDAYKMRM-UHFFFAOYSA-N	422.229	2.782	5	50	HFBA	
CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1	2978471	HGIBZECFMPSXGO-UHFFFAOYSA-N	403.416	2.907	5	50	HFBA	
O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(c2ccccc2F)CC1	2965649	JYOVSWMKVDVUNW-UHFFFAOYSA-N	402.429	2.949	5	50	HFBA	
COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1[C@H](C(=O)OC)CC2	1745205	YKURBSSUYWJYME-LLVKDONJSA-N	404.400	2.898	5	50	HFBA	
Cc1c(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-]	1183286	ICNBRLAMLMLELD-UHFFFAOYSA-N	400.460	2.867	5	50	HFBA	
Cc1nnc(C)n1-n1ccc2nc3ccn(-c4ccccc4Cl)c(=O)c3cc2c1=O	38829280	GOMSGOBCESTJDM-UHFFFAOYSA-N	418.844	2.874	5	50	HFBA	
O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1	225702652	HUSPOZXKHGRYHL-UHFFFAOYSA-N	413.386	2.520	5	50	HFBA	
COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])cc1OC	865269	GMIBJSJTHQLYJJ-UHFFFAOYSA-N	415.446	2.659	5	50	HFBA	
CC(C)[C@@H](C(=O)OCC(=O)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	2068230	AAUHRYMOXGIHPM-SFHVURJKSA-N	410.382	2.642	5	50	HFBA	
CCOC(=O)C1=CN(CCOC)C=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1	2879781	LOARDIWLYRKOQP-UHFFFAOYSA-N	404.419	2.534	5	50	HFBA	
Cc1nc(N2CC[C@](c3nc(-c4ccccn4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-]	952894993	WHEAFQFZYHCJMY-INIZCTEOSA-N	421.339	2.849	5	50	HFBA	
CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)NC1=S	229920202	XBDYUWLGNUAQFB-OXJNMPFZSA-N	416.503	2.538	5	50	HFBA	
O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1=O	19880994	UPZBEDCUYPOYQT-GFCCVEGCSA-N	407.791	2.766	5	50	HFBA	
Cn1cnnc1Sc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-]	4740960	GCSDZNPTFUFGJK-UHFFFAOYSA-N	404.496	2.569	5	50	HFBA	
CC(C)Cn1c(-c2cc([N+](=O)[O-])c[nH]2)nnc1N1CCN(c2cccc(O)c2)CC1	2325736772	MYDXGIQIWMPFQR-UHFFFAOYSA-N	411.466	2.870	5	50	HFBA	
CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br	4756023	QZWBTKJGVPOQPQ-XNTDXEJSSA-N	404.220	2.874	5	50	HFBA	
O=c1c2c3c(sc2nc2c4ccccc4c(NCCOCCO)nn12)CCCC3	1803326	RROHIADPQNSLKX-UHFFFAOYSA-N	410.499	2.757	5	50	HFBA	
Cc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	4797223	YMHPCXKPAOOKJI-UHFFFAOYSA-N	402.432	2.502	5	50	HFBA	
Cc1cc(=O)oc2cc(OC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc12	938606	FQAOBQVNAJTAKK-UHFFFAOYSA-N	422.349	2.601	5	50	HFBA	
O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Cl)cc1	136002940	PSIPYZBNSNOTQZ-OKZBNKHCSA-N	412.833	2.784	5	50	HFBA	
Cc1ccc(C(=O)N2CCC[C@@H](n3ncc(N(C)C(C)C)cc3=O)C2)cc1[N+](=O)[O-]	328603328	FRISBMJHRSIWHD-QGZVFWFLSA-N	413.478	2.782	5	50	HFBA	
CCn1ncc(CN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C	2780168	UNGFMYHROXXFAL-UHFFFAOYSA-N	400.439	2.846	5	50	HFBA	
Cc1c(NC(=O)Cc2ccc(F)cc2)cc(S(=O)(=O)NC2CC2)cc1[N+](=O)[O-]	4698541	RENPAVUQXUNLCE-UHFFFAOYSA-N	407.423	2.664	5	50	HFBA	
COc1ccc([C@@H](CO)CN=c2ccc3cc(F)cc([N+](=O)[O-])c3[nH]2)cc1OC	2325736522	NWTWTMHNXIHVHR-CQSZACIVSA-N	401.394	2.909	5	50	HFBA	
CCCOc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	3623733	NPRGDQWCCRCSBI-QGZVFWFLSA-N	408.432	2.878	5	50	HFBA	
O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1nccs1	1156243	YTRBNRJNGFHZNI-GWWPLSDWSA-N	403.419	2.928	5	50	HFBA	
COc1c(O)ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1[N+](=O)[O-]	4820930	HKFSTXIUXCMYEX-INIZCTEOSA-N	412.402	2.884	5	50	HFBA	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2cc(Br)ccn2n1	2325852393	CSNPWZKGVXXURU-UHFFFAOYSA-N	412.225	2.509	5	50	HFBA	
CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	4983076	HKZHRYCTXUQWKY-UHFFFAOYSA-N	412.446	2.671	5	50	HFBA	
CCOC(=O)c1[nH]c(COC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)c1C	3158677	XORKFXBWQLCOBD-UHFFFAOYSA-N	404.375	2.942	5	50	HFBA	
O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cc(Cl)ccc1C(=O)O	10060520	HVXCXSMKDCQUIL-UHFFFAOYSA-N	417.761	2.571	5	50	HFBA	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(Br)c(Br)s1	2777630	SZCDQJOWPLNXSF-UHFFFAOYSA-N	424.074	2.808	5	50	HFBA	
O=C(NCCCO)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	2982877	PCLZGQRVIQQGET-SFQUDFHCSA-N	403.822	2.518	5	50	HFBA	
CCOC(=O)C1=C(CNC2CCCCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	4690024	GFCZIBIAPBZACK-GOSISDBHSA-N	402.451	2.688	5	50	HFBA	
Cc1cccc(OCCNc2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])c1	19848221	DREQRVVOFYKFNV-UHFFFAOYSA-N	400.479	2.508	5	50	HFBA	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1ccccc1	247328070	NZMQAHHANQBGMI-GGPCPXQKSA-N	403.394	2.769	5	50	HFBA	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1cccc([N+](=O)[O-])c1)C2=O	9129448	LUGFFLWFAWCEJA-KRWDZBQOSA-N	409.358	2.500	5	50	HFBA	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cccc1[N+](=O)[O-]	4814274	RHTBBNPYWSVLLI-OAHLLOKOSA-N	419.459	2.613	5	50	HFBA	
CCC(=O)NC(=S)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1	2831091	ASPHHQQNGFKJJR-UHFFFAOYSA-N	402.432	2.835	5	50	HFBA	
O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4687396	DWOGPMWWIZTYQB-UHFFFAOYSA-N	414.437	2.533	5	50	HFBA	
CC(C)Nc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	4740966	MNNQYQDQRGSVFO-UHFFFAOYSA-N	404.492	2.926	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	4834256	ZTCKWQJRCWHVOK-INIZCTEOSA-N	417.443	2.530	5	50	HFBA	
Cn1c(CN2CCN(C(=O)NC3CCCCC3)CC2)nc2cc([N+](=O)[O-])ccc21	19828407	KKECTSYIYHIXCE-UHFFFAOYSA-N	400.483	2.641	5	50	HFBA	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-]	1132102	GQGNBMZINGQLCQ-UHFFFAOYSA-N	407.448	2.933	5	50	HFBA	
CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1	2851247	CSJIGMHFCXDDLF-UHFFFAOYSA-N	407.448	2.707	5	50	HFBA	
COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	1163314	KTQGYCYCCHWIQN-UHFFFAOYSA-N	419.459	2.643	5	50	HFBA	
Cc1ccc(Oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c[n+]1[O-]	170597197	NXFLVFFZSMHZSM-CYBMUJFWSA-N	407.448	2.750	5	50	HFBA	
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19865971	FHPOAXGDGFOXTG-UHFFFAOYSA-N	403.822	2.935	5	50	HFBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	16346677	KSOFVFJXBUYUPC-UHFFFAOYSA-N	424.866	2.787	5	50	HFBA	
Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1	4740459	ZLLUJQSYGDYCAN-QGZVFWFLSA-N	408.458	2.605	5	50	HFBA	
CCOC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(c2ccc(Cl)cc2)C1	15745914	QCMCCDTVLXNLMK-IBGZPJMESA-N	417.805	2.859	5	50	HFBA	
N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	100613220	BYKADBZNNIYWOH-UHFFFAOYSA-N	417.469	2.832	5	50	HFBA	
CCOC(=O)c1sc2ncn3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)nc3c2c1C	2790260	JTFIVZNZVMGCEK-SECBINFHSA-N	401.408	2.538	5	50	HFBA	
COc1ccc(-c2ccnc(C3CCN(C(=O)c4c[nH]nc4[N+](=O)[O-])CC3)n2)cc1	952895012	WWARSCQYSREHIU-UHFFFAOYSA-N	408.418	2.803	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1C	1079585	USYVJQUBECXIGN-UHFFFAOYSA-N	421.870	2.661	5	50	HFBA	
CNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-]	4687940	DIHOWDTXVQPXJG-UHFFFAOYSA-N	410.883	2.801	5	50	HFBA	
CN1CCC(N(C)[C@H]2CCCC[C@@H]2N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	170690751	KJPLVBLDMVFXFT-ROUUACIJSA-N	424.567	2.553	5	50	HFBA	
O=C(O)c1ccccc1C(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	5093874	YARIIAWYCURIKG-UHFFFAOYSA-N	413.430	2.658	5	50	HFBA	
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1	170615571	KQPBYBKENFSOMQ-UHFFFAOYSA-N	407.839	2.830	5	50	HFBA	
CC[C@@H](C(=O)NCCCn1ccc([N+](=O)[O-])n1)n1nc(C(F)(F)F)c2c1CCC2	20607702	RWWDYOAGVIXDDT-LBPRGKRZSA-N	414.388	2.653	5	50	HFBA	
CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)C1	225420942	IGYCEQWIDHMCAW-HLLBOEOZSA-N	402.495	2.675	5	50	HFBA	
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCCN1C(=O)c2ccccc2C1=O	938608	SKFVTCKRWANOGM-ZRDIBKRKSA-N	410.382	2.924	5	50	HFBA	
COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC	1090580	OKPMLLDNPPMKRZ-UHFFFAOYSA-N	401.371	2.912	5	50	HFBA	
Cn1c([C@@H]2CCCN2S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)nc2c1CCCC2	170616381	KQGBZZABIDKUQA-KRWDZBQOSA-N	408.455	2.872	5	50	HFBA	
COc1cc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC	4724694	URBMNROUVPYFAS-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
O=C(N=c1cc(-c2ccc3c(c2)CCO3)o[nH]1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1	1875353579	YNSNAKSWJIHQTR-UHFFFAOYSA-N	420.385	2.805	5	50	HFBA	
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1Br	15240347	MPTZAPGMBAIKRS-UHFFFAOYSA-N	418.203	2.982	5	50	HFBA	
O=C(CSc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])Nc1ccccc1	1084487	CPLXSWMQJDCNKV-UHFFFAOYSA-N	401.444	2.798	5	50	HFBA	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-]	2813075	JIPIWCRERDSELK-UHFFFAOYSA-N	405.432	2.640	5	50	HFBA	
COc1cc(OC)c(OC)cc1CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	865098	LSJMKEUDMLLNFC-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
O=C(CNC(=O)c1ccc(Br)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1	2747600	GJIALAKVTGBMJU-UHFFFAOYSA-N	421.203	2.513	5	50	HFBA	
COC(=O)c1cc(-c2ccc(/C=C\c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)ccc1Cl	30840496	QFBAMFWXEAIKQN-UTCJRWHESA-N	417.761	2.842	5	50	HFBA	
CCOc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c([N+](=O)[O-])c1	17082147	PVCXKBTUKYLCFM-UHFFFAOYSA-N	401.335	2.992	5	50	HFBA	
COc1ccc(OC)c(CNc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])c1	4808075	UNQDBBDSGTVMRW-UHFFFAOYSA-N	405.798	2.697	5	50	HFBA	
O=C(Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)NCc1ccco1	951901	FOMMLMNXJBZPPG-UHFFFAOYSA-N	410.411	2.943	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O	1146156	CZLIEPDCTXMDPC-UHFFFAOYSA-N	407.448	2.625	5	50	HFBA	
CCCCOC[C@@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1	4706743	REGJQKBZKFXKOF-WFASDCNBSA-N	409.464	2.546	5	50	HFBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	4594361	JXCTYQQNDCENQB-DYESRHJHSA-N	414.462	2.717	5	50	HFBA	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2cc(Br)ccc2oc1=O	12427675	WKFIGQQEUIDESL-UHFFFAOYSA-N	422.191	2.826	5	50	HFBA	
COC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C)cc2[N+](=O)[O-])cc(C(=O)OC)c1	997988	KOGMWXUVGXXROA-GFCCVEGCSA-N	416.386	2.882	5	50	HFBA	
C[C@@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1C(=O)c1ccco1	5027843	FGUSZRJJCKDJQH-CQSZACIVSA-N	418.425	2.514	5	50	HFBA	
COc1cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1OC	19549546	MAMOOSJNBRBYKH-UHFFFAOYSA-N	415.446	2.579	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)s1	170599228	LYWWWPOOFSBKBF-UHFFFAOYSA-N	421.504	2.742	5	50	HFBA	
COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c(OC)c1OC	4724545	RJTJBQLTFGZYIV-UHFFFAOYSA-N	401.463	2.938	5	50	HFBA	
CNc1ccc(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-]	248021144	HZRRYHMFRFAACV-NRFANRHFSA-N	411.506	2.745	5	50	HFBA	
CN(C)C(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	4558643	UULWHXHNHQAXGN-SECBINFHSA-N	414.702	2.849	5	50	HFBA	
O=C1[C@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccccc1)[C@H]1ON=C(c2cccc([N+](=O)[O-])c2)[C@@H]31	247328082	NZMQAHHANQBGMI-KMBCLYMLSA-N	403.394	2.769	5	50	HFBA	
O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	886024560	CAWBSDRNMRHCFA-HOCLYGCPSA-N	406.442	2.816	5	50	HFBA	
CN(C)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1	9720435	OAMAUZUVSNXQFO-UHFFFAOYSA-N	424.910	2.825	5	50	HFBA	
CC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CSc1nc2ccccc2c2nc(=O)c(C)nn12	242389591	ZYPSJPLZINNVOK-XTDOFWJNSA-N	423.542	2.979	5	50	HFBA	
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccccc1	245312544	VSDIHQASPCYNQC-OKZBNKHCSA-N	412.833	2.784	5	50	HFBA	
CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4084611	NNOABDCGCPDYKB-UHFFFAOYSA-N	414.414	2.930	5	50	HFBA	
CN(C)C(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl	3130745	QAKLULBVOFIQHE-SECBINFHSA-N	414.702	2.849	5	50	HFBA	
COc1ccc(C(=O)Oc2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)cc2)cc1	16361656	UXCOAHQBBPAGAK-WCIBSUBMSA-N	409.354	2.782	5	50	HFBA	
O=[N+]([O-])c1ccc(N(C[C@H](O)CN2CCCCC2)S(=O)(=O)c2ccccc2)cc1	4951949	UUUQDROCQQKEJG-LJQANCHMSA-N	419.503	2.637	5	50	HFBA	
CC(=O)c1csc(NC(=O)[C@@H](C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2C)n1	2325854346	YRDWLGZCTAVTNM-SECBINFHSA-N	415.431	2.503	5	50	HFBA	
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1	20025971	XBNRJYGDWCFASV-UHFFFAOYSA-N	403.822	2.935	5	50	HFBA	
Cc1c([N+](=O)[O-])cnn1CCC(=O)NCCCn1nc(C(F)(F)F)cc1C1CC1	2794221	BHBGRVPPGPHFOO-UHFFFAOYSA-N	414.388	2.789	5	50	HFBA	
COc1ccc(Cc2nnc(NC(=O)CCCn3cc([N+](=O)[O-])cn3)s2)cc1	12420752	QJSFGEJGKDGLNI-UHFFFAOYSA-N	402.436	2.661	5	50	HFBA	
O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	20123753	WSKFNPDSRZTIHF-UHFFFAOYSA-N	403.822	2.935	5	50	HFBA	
COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CCC(=O)O)CC2	2426578	UHPLSCVPLXQAHW-OAQYLSRUSA-N	414.414	2.951	5	50	HFBA	
CCOc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	5013428	HQIAYFMVCMWPKX-UHFFFAOYSA-N	407.448	2.707	5	50	HFBA	
O=[N+]([O-])c1cnc(N2CCOC[C@@H]2c2ncn(Cc3ccccc3)n2)c(Cl)c1	253417571	AUJSZZIJHLAKGP-MRXNPFEDSA-N	400.826	2.861	5	50	HFBA	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1	1115731	QKTCHIVRTCUMSO-UHFFFAOYSA-N	412.446	2.520	5	50	HFBA	
Cc1c(NC(=O)CCN2CCC(c3nc(N(C)C)no3)CC2)cccc1[N+](=O)[O-]	170601542	RVBYZFLLLZCVOA-UHFFFAOYSA-N	402.455	2.560	5	50	HFBA	
O=C(CCN1CCOCC1)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	20057521	XYVMWNAIOQDKGQ-OAQYLSRUSA-N	408.458	2.995	5	50	HFBA	
O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc([N+](=O)[O-])c1	2849791	NQYZJOAACKTINM-UHFFFAOYSA-N	412.446	2.520	5	50	HFBA	
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	4182291	FUQMFXUFQBDSJM-UHFFFAOYSA-N	410.308	2.883	5	50	HFBA	
CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)c1ccc([N+](=O)[O-])c(C(N)=O)c1	1458541443	NVUOSHDZFIMHTJ-CYBMUJFWSA-N	414.245	2.877	5	50	HFBA	
O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1	4663523	VCOWKRGDLJBRFN-UHFFFAOYSA-N	403.822	2.982	5	50	HFBA	
NC(=O)[C@H](Cc1ccc(Cl)cc1)OC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	760770019	JFFLMGYRZRECQQ-KRWDZBQOSA-N	414.805	2.687	5	50	HFBA	
CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	1110093	USRSWZVILRWYPU-ZDUSSCGKSA-N	407.448	2.689	5	50	HFBA	
CN(CCCC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2863077	CZPNKDFBRISCLD-UHFFFAOYSA-N	403.460	2.585	5	50	HFBA	
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cc(OC)c(OC)cc1[N+](=O)[O-]	1059952	KJTICCGTULXRMY-UHFFFAOYSA-N	404.375	2.864	5	50	HFBA	
COC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CC[C@@H](C(C)(C)C)C2	1754440	UHNKQUIWLXUNQN-SNVBAGLBSA-N	421.479	2.824	5	50	HFBA	
COC(=O)c1cc(NC2CCN(C(C)=O)CC2)c(Br)cc1[N+](=O)[O-]	1875326311	PNRBXKNESFNXSW-UHFFFAOYSA-N	400.229	2.567	5	50	HFBA	
Cc1ccc(N(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2C=CS(=O)(=O)C2)cc1	2725719	YDJWZTJPVDQQKR-INIZCTEOSA-N	402.428	2.626	5	50	HFBA	
COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1OC	19552782	DIGFDMVBHXPUHL-UHFFFAOYSA-N	415.446	2.579	5	50	HFBA	
CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	9009698	RLIRWKCNTHIPJR-IIBYNOLFSA-N	414.462	2.763	5	50	HFBA	
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	20602502	SRNVKBRMTFHTMI-UHFFFAOYSA-N	400.460	2.762	5	50	HFBA	
CNS(=O)(=O)c1ccc(N[C@H](CO)c2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	225463004	YFQUMOSKYVCICA-CYBMUJFWSA-N	420.274	2.955	5	50	HFBA	
O=C(COc1ccccc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-])Nc1ccccc1	15009171	WZPAIXBGNXLFOX-ZHACJKMWSA-N	408.370	2.572	5	50	HFBA	
COC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	8680610	WMTNKRHKIDCBQZ-QMMMGPOBSA-N	401.659	2.934	5	50	HFBA	
COc1cc(OC)c(OC)cc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	19594971	ZRVAWMJOAHQRBJ-UHFFFAOYSA-N	415.446	2.579	5	50	HFBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	674391	NVVMJDVZNIZOCM-UHFFFAOYSA-N	419.459	2.787	5	50	HFBA	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccco1	840692	BSINEXKGIZHKQO-UHFFFAOYSA-N	415.427	2.700	5	50	HFBA	
COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl	13658155	MDFUTGQSRAYONU-JTQLQIEISA-N	415.686	2.722	5	50	HFBA	
CCC1(CC)CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[S@]1=O	170597571	GCCUCPNVZRGLCO-MUUNZHRXSA-N	407.536	2.961	5	50	HFBA	
O=C(c1ccco1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1	5067818	PKQZXPIBZQAZNF-AWEZNQCLSA-N	418.425	2.880	5	50	HFBA	
COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1	8767361	OZRPANKJSBKFQR-SFHVURJKSA-N	412.402	2.879	5	50	HFBA	
Cn1cc(C(=N)O)c([C@H]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)C2)n1	328603786	HFLITIMWDUJEEX-ZDUSSCGKSA-N	412.450	2.806	5	50	HFBA	
COC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	8680803	WMTNKRHKIDCBQZ-MRVPVSSYSA-N	401.659	2.934	5	50	HFBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1	4144330	DXBNEPDFCBIQJD-CKEIUWERSA-N	409.320	2.699	5	50	HFBA	
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1	2857171	NMZYSNYORHJRFK-UHFFFAOYSA-N	417.487	2.667	5	50	HFBA	
C[C@@H](CCc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	54991892	JLKRBYIZOKOPCP-KRWDZBQOSA-N	403.504	2.922	5	50	HFBA	
CCOC(=O)c1sc2ncn3nc(C(C)(C)n4cc([N+](=O)[O-])cn4)nc3c2c1C	2790047	BZFQBKMUVJZYKA-UHFFFAOYSA-N	415.435	2.712	5	50	HFBA	
Cc1ccc(N(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2C=CS(=O)(=O)C2)cc1	2725718	YDJWZTJPVDQQKR-MRXNPFEDSA-N	402.428	2.626	5	50	HFBA	
Cn1cc([N+](=O)[O-])c(C(=O)NCCCn2nc(C(F)(F)F)c(Cl)c2C2CC2)n1	2778888	FCYYDNQIXJFTQF-UHFFFAOYSA-N	420.779	2.895	5	50	HFBA	
COC(=O)[C@@H](C)Oc1cc(O[C@H](C)C(=O)OC)c2c(c1)oc(=O)c1ccccc12	630285	DAULUUDYACNKMI-VXGBXAGGSA-N	400.383	2.827	5	50	HFBA	
CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)OC)cc1[N+](=O)[O-]	2985770	ADVDABKBRWKGBC-UHFFFAOYSA-N	403.416	2.907	5	50	HFBA	
O=C(c1ccco1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1	5067820	PKQZXPIBZQAZNF-CQSZACIVSA-N	418.425	2.880	5	50	HFBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C(C)(C)C)C3=O)[C@@H]2C1	9014117	YEPHOXHJHDAUQS-PTPDTQQLSA-N	414.462	2.619	5	50	HFBA	
CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1[N+](=O)[O-]	971853	WPQYGZNUCNSILS-UHFFFAOYSA-N	402.359	2.819	5	50	HFBA	
CCOC(=O)[C@@H](C)[C@H](C)Nc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-]	170595658	HWGFDSNYJDMPGJ-STQMWFEESA-N	401.485	2.625	5	50	HFBA	
CCc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	1075403	UHFCVVTVVUSDQI-UHFFFAOYSA-N	407.448	2.571	5	50	HFBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1N1CCOCC1	1116268	DUGGWIJWGQOJFS-CMDGGOBGSA-N	412.471	2.958	5	50	HFBA	
Cc1nn(C[C@@H](C)c2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1[N+](=O)[O-]	2803230	MKMPVRMUVFAOCH-GFCCVEGCSA-N	417.433	2.988	5	50	HFBA	
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-]	1190931	IDVNMDAFOIXAGD-UHFFFAOYSA-N	402.428	2.830	5	50	HFBA	
O=C(N[C@]1(C(F)(F)F)N=C(O)N(Cc2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1	2863506	FNRIMTDSKCXVEI-KRWDZBQOSA-N	422.319	2.540	5	50	HFBA	
O=C(Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(Br)o1	2765105	CKMFTOVAMWCQIJ-SNVBAGLBSA-N	417.237	2.648	5	50	HFBA	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1cccc([N+](=O)[O-])c1)C2=O	8856330	LUGFFLWFAWCEJA-QGZVFWFLSA-N	409.358	2.500	5	50	HFBA	
Cc1ccc(SCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	2818361	UYGWLZCVNFNDFO-UHFFFAOYSA-N	423.516	2.578	5	50	HFBA	
O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)[C@H]1CCCC[C@]1(N1CCOCC1)O2	22065008	QCKOELLDBHAPRZ-GIVPXCGWSA-N	403.479	2.579	5	50	HFBA	
NC[C@@H](Cc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	170606453	WEGWGVBNAUAERZ-XLIONFOSSA-N	403.504	2.956	5	50	HFBA	
CCOC(=O)c1c(C(=O)OCC)c2cccnn2c1C(=O)c1ccc([N+](=O)[O-])cc1	4543066	XWPQOOLQPSYOFG-UHFFFAOYSA-N	411.370	2.827	5	50	HFBA	
C[C@@H](Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-])c1ccccc1	4090636	UJXNTMKNABVJLC-OAHLLOKOSA-N	404.492	2.850	5	50	HFBA	
COc1ccc(NC(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)cc1	20295897	IUTKXAVITFYAKK-UHFFFAOYSA-N	414.462	2.990	5	50	HFBA	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O	35877055	ISZQITOHQXECQG-UHFFFAOYSA-N	418.365	2.744	5	50	HFBA	
Cc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-]	36082451	AZKKOEJJIZZRLN-VMPITWQZSA-N	401.488	2.923	5	50	HFBA	
CCOC(=O)c1sc2ncn3nc([C@H](C)n4cc([N+](=O)[O-])cn4)nc3c2c1C	2790261	JTFIVZNZVMGCEK-VIFPVBQESA-N	401.408	2.538	5	50	HFBA