smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)N2CCOCC2)cc1	13633005	FVFHNMYYVBYCKP-PDGQHHTCSA-N	471.466	2.250	5	50	JEBA	
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	248117925	QJMTVDYYNXWLHH-MGXMAZEZSA-N	480.452	2.482	5	50	JEBA	
O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4125252	GWYZPFGCDCHDRL-UHFFFAOYSA-N	454.483	2.165	5	50	JEBA	
COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	9280193	WRWDTOQBTZCWBL-SFHVURJKSA-N	463.512	2.402	5	50	JEBA	
CCOCCCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1	9971425	FJNWWMXSMMKCDY-UHFFFAOYSA-N	465.484	2.339	5	50	JEBA	
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	19758057	VTYKUJSZQZEQKA-UHFFFAOYSA-N	494.529	2.351	5	50	JEBA	
COC(=O)C[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O	1848443885	VOBQIDJHSAEFAW-HNNXBMFYSA-N	470.438	2.160	5	50	JEBA	
Cc1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	1875309008	MIOKOURGXKSHSR-UHFFFAOYSA-N	461.525	2.123	5	50	JEBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	230039214	ZNBNXIPIZWJYMP-SQJMNOBHSA-N	477.521	2.317	5	50	JEBA	
COC(=O)c1ccc(C)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	2882213	JAEHFEXJHWJCMT-UHFFFAOYSA-N	451.457	2.103	5	50	JEBA	
COC(=O)[C@H](CCCCNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1	3958655	WHJBDEUJUMNSJS-SFHVURJKSA-N	458.427	2.375	5	50	JEBA	biogenic,in-vitro
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1N1CCOCC1	9109178	KDDHOMPYOAMTDU-UHFFFAOYSA-N	450.492	2.081	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	16711766	WTEXCCXEQARYRF-VOMPUTFMSA-N	493.497	2.103	5	50	JEBA	
CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]1C(=O)C(=O)NCCc1ccc(Cl)cc1	104194480	QTYWZLAEWHINNH-KRWDZBQOSA-N	473.829	2.423	5	50	JEBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2	8816944	MHJVRHXZPNQJMD-CYBMUJFWSA-N	493.563	2.470	5	50	JEBA	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@H]43)C2=O)cc1OC	229900944	XXMOFHNHUMANIH-OFVILXPXSA-N	494.504	2.444	5	50	JEBA	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O	1132671	XTUMXCWLIYUONB-UHFFFAOYSA-N	473.511	2.106	5	50	JEBA	
Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc(OCC(F)F)cc([N+](=O)[O-])c3)C2)cn1	13960145	ULNNTWRCWOXEDS-LBPRGKRZSA-N	473.458	2.012	5	50	JEBA	
Cc1nn(CCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)c(C)c1[N+](=O)[O-]	20294300	MXUWHTUPIYPFJG-UHFFFAOYSA-N	460.476	2.418	5	50	JEBA	
CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	16189190	BBUITGSXVVRHCM-UHFFFAOYSA-N	484.582	2.310	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1	16790815	RRZUJRQVBIAMOF-YWFITGJYSA-N	465.487	2.325	5	50	JEBA	
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	36352293	HLCJFCHNLMPSTF-KRWDZBQOSA-N	453.415	2.232	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	6243414	JUZVWMGUPMDDSL-VOMPUTFMSA-N	465.487	2.325	5	50	JEBA	
COc1cc(NC(=O)CSc2nnc(CCn3nc(C)c([N+](=O)[O-])c3C)n2C)cc([N+](=O)[O-])c1	2794796	FYZHHJUXMWXQEE-UHFFFAOYSA-N	490.502	2.427	5	50	JEBA	
O=C([C@@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)N1CCN(c2ccccc2)CC1	2818848	SKYYYJWTCOWITL-GOSISDBHSA-N	458.540	2.344	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cccc(OC)c1	8400254	ZFHSNOVOCBTEKO-YWFITGJYSA-N	495.513	2.421	5	50	JEBA	
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	6274905	QVBVXPYJZJASEJ-RUZDIDTESA-N	462.299	2.474	5	50	JEBA	
CCOC(=O)/C=C1/SCC(=O)N1CCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	2332237344	WQWYZTSEYLKVIH-LDADJPATSA-N	454.936	2.350	5	50	JEBA	
COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1OC	100057024	LYZJEHLSONQPAH-FQEVSTJZSA-N	468.510	2.104	5	50	JEBA	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCC[C@H]43)C2=O)cc1OC	229900952	XXMOFHNHUMANIH-SQJMNOBHSA-N	494.504	2.444	5	50	JEBA	
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12)N1CCSCC1	888088881	VUMKIWXYZWMVOE-WKUQZLKGSA-N	466.563	2.497	5	50	JEBA	
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCN(C)CC4)c(F)cc3[N+](=O)[O-])CC2)cc1	16156671	QMDZOLCMTVSZGU-UHFFFAOYSA-N	477.562	2.305	5	50	JEBA	
CCc1ccccc1-n1cc(C(=O)N(C)[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)nn1	2325827367	DJKWPZNVBAPSQM-IBGZPJMESA-N	478.509	2.490	5	50	JEBA	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c([N+](=O)[O-])cc1OC	2989184	DFABUFSOETYUEF-UHFFFAOYSA-N	459.440	2.455	5	50	JEBA	
COc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc(OC)c1OC	9972921	PEHVWKJQFJIGRC-UHFFFAOYSA-N	486.525	2.420	5	50	JEBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	8915930	KBXMEULUOYQXLG-UHFFFAOYSA-N	486.528	2.320	5	50	JEBA	
CCOc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	245326102	JBVVXWAVCWZCOC-OAQYLSRUSA-N	493.520	2.282	5	50	JEBA	
O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	8442906	XZZDWHHFRAWUKG-UHFFFAOYSA-N	456.370	2.336	5	50	JEBA	
Cn1cnnc1Sc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	8682379	KOWOSJMALIRPQV-UHFFFAOYSA-N	460.541	2.385	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccs1	16805492	HOGDRBSEZLRPAF-GTVARFKMSA-N	485.543	2.395	5	50	JEBA	
Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl	2794146	LXIDBGIVRBVMNP-UHFFFAOYSA-N	450.304	2.087	5	50	JEBA	
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(C(C)(C)C)C3=O)[C@H]2C1	245326106	JEFMTKKVFZBMIY-MBSYMSIGSA-N	472.498	2.367	5	50	JEBA	
O=C(O)CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	8738728	LMYGSYGXSHSMJK-FMIVXFBMSA-N	452.217	2.312	5	50	JEBA	
O=c1c2ccc3c(=O)n(-c4ccc(O)cc4)c(=O)c4ccc(c(=O)n1-c1ccc(O)cc1)c2c34	828301	PVIYUMMXACSJDP-UHFFFAOYSA-N	450.406	2.455	5	50	JEBA	
N=c1[nH]ccc(C(=O)NCc2noc(-c3cccc(C(=O)N4CCCCC4)c3)n2)c1[N+](=O)[O-]	1875350247	GJZRYTSQNOSDLH-UHFFFAOYSA-N	451.443	2.008	5	50	JEBA	
O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)N[C@@H]1CCS(=O)(=O)C1)CCCC2	9360835	UJXLEWQLSCXENY-CYBMUJFWSA-N	493.563	2.470	5	50	JEBA	
COc1cc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC	19852901	ZNQDQJNEHYJMBJ-UHFFFAOYSA-N	451.501	2.127	5	50	JEBA	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	2657472	HMEFBQSRPSERDI-UHFFFAOYSA-N	496.548	2.387	5	50	JEBA	
Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc(OCC(F)F)cc([N+](=O)[O-])c3)C2)cn1	13960144	ULNNTWRCWOXEDS-GFCCVEGCSA-N	473.458	2.012	5	50	JEBA	
COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1	35979679	HLCJFCHNLMPSTF-QGZVFWFLSA-N	453.415	2.232	5	50	JEBA	
COC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1C	2884507	WEFRCRKXDFJYCI-UHFFFAOYSA-N	451.457	2.103	5	50	JEBA	
Cn1c(Cc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	12427835	WZIDMXIHAZASOC-UHFFFAOYSA-N	475.552	2.486	5	50	JEBA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(S(=O)(=O)c4ccc5c(c4)CCCC5)CC3)cc21	9933835	ZDMKGPCLIJJLOX-UHFFFAOYSA-N	485.566	2.175	5	50	JEBA	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])cc1OC	9971391	YFONSCQJUSJMGV-AWEZNQCLSA-N	465.484	2.322	5	50	JEBA	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(I)cc1	1135401	DKJJBZJPQFPIKV-UHFFFAOYSA-N	451.176	2.434	5	50	JEBA	
COc1cc(NS(=O)(=O)c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)nc(OC)n1	22589874	RRYCQMQHEMQSHP-UHFFFAOYSA-N	473.427	2.483	5	50	JEBA	
CCn1ncc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c1C(=O)N1CCOCC1	2805290	XMTXITGJRRZFHI-UHFFFAOYSA-N	481.513	2.398	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	1118642	BYXOIAUUFBSDGG-JKALPCAWSA-N	465.487	2.325	5	50	JEBA	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCN4CCOCC4)c3)CC2)cc1	20058123	LVCCNLVTWYMBGM-UHFFFAOYSA-N	489.598	2.158	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	2544594	CYLYJTYQEJSHLJ-SQWSFHKJSA-N	493.497	2.103	5	50	JEBA	
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Sc2c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c2[N+](=O)[O-])c1[N+](=O)[O-]	110446426	GSQHZSHLZIZWLE-UHFFFAOYSA-N	486.291	2.451	5	50	JEBA	
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(CCc4ccccc4)C(=O)N=C3O)[C@H]2C1	245329209	YFDMJGABDQTZBF-YKSBVNFPSA-N	463.494	2.419	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	35168660	FDQGQIQOOURLDD-MRCZTLKWSA-N	495.513	2.334	5	50	JEBA	
CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]1C(=O)C(=O)NCCc1ccc(Cl)cc1	104194485	QTYWZLAEWHINNH-QGZVFWFLSA-N	473.829	2.423	5	50	JEBA	
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@H]2[C@@H](C)O1	252383278	ACOOERAXNZDZTQ-YVNLSBANSA-N	478.505	2.441	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	1118645	BYXOIAUUFBSDGG-SQWSFHKJSA-N	465.487	2.325	5	50	JEBA	
COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	15722478	JUQIRFJAQBOSON-MRXNPFEDSA-N	479.511	2.103	5	50	JEBA	
Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NSc3ncccc3[N+](=O)[O-])C(=O)O)c2)cc1	28631501	HREPATZNEVVIAA-HNNXBMFYSA-N	463.497	2.024	5	50	JEBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)c4ccccc4c3=O)c2)CC1	9071915	FBCFKOBBOJCNDP-UHFFFAOYSA-N	457.512	2.074	5	50	JEBA	
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O	22238476	LFSKLTVAKZHNBS-UHFFFAOYSA-N	463.387	2.111	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	35168661	FDQGQIQOOURLDD-ZNQKWNQWSA-N	495.513	2.334	5	50	JEBA	
O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	4089482	VTGJMYBVFPNDGT-UHFFFAOYSA-N	494.957	2.232	5	50	JEBA	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)c1C	16293299	TZYNMBVFRPXWBY-UHFFFAOYSA-N	453.542	2.215	5	50	JEBA	
COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)C(=O)Nc1ccccc1[N+](=O)[O-]	8653657	JMVAKDKBTGCEPQ-NSHDSACASA-N	458.814	2.024	5	50	JEBA	
CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@@H]1C(=O)C(=O)NCc1ccc(Cl)cc1	104161700	FPUSANRTWOHGRU-INIZCTEOSA-N	459.802	2.381	5	50	JEBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(Cc2cccc(O)c2Cl)CC1	1875335168	UWONRAFVFNYDJN-UHFFFAOYSA-N	496.973	2.297	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1	2936794	VYFYOZNAZGEHIH-XQJRBFNUSA-N	495.513	2.334	5	50	JEBA	
O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1	16274997	GGGJWOSVHWHEHB-UHFFFAOYSA-N	491.595	2.135	5	50	JEBA	
O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	19850932	BDNORFJUGZEJTO-UHFFFAOYSA-N	465.470	2.367	5	50	JEBA	
COc1ccccc1N1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2[N+](=O)[O-])CC1	4143492	WQODKDPQTBPSLM-UHFFFAOYSA-N	475.571	2.012	5	50	JEBA	
Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc([N+](=O)[O-])c1)N2	4453210	XIKBNACNRMHVLD-UHFFFAOYSA-N	451.283	2.184	5	50	JEBA	
CCOC(=O)N1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)CC1	16293872	HLTXJEKIYWEZSQ-UHFFFAOYSA-N	490.538	2.399	5	50	JEBA	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccs1	16399721	CUXRMCGOCSPXOK-UHFFFAOYSA-N	461.569	2.330	5	50	JEBA	
COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N2CCN(C)CC2)cc1OC	12493775	NNIAPCPVDOUZBE-RGEXLXHISA-N	454.483	2.157	5	50	JEBA	
CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1	6274906	QVBVXPYJZJASEJ-VWLOTQADSA-N	462.299	2.474	5	50	JEBA	
O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1O	19799489	HJMFNYHJPZYNLB-UHFFFAOYSA-N	470.511	2.444	5	50	JEBA	
O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9892786	VWJTYXGUYCXMJU-UHFFFAOYSA-N	471.539	2.395	5	50	JEBA	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1	16276131	JMQOMAFDRPNZNH-UHFFFAOYSA-N	495.565	2.094	5	50	JEBA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)cc21	8642694	IRJIUCKHDXLOQX-UHFFFAOYSA-N	481.534	2.449	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	2544587	WTEXCCXEQARYRF-SQWSFHKJSA-N	493.497	2.103	5	50	JEBA	
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1	9392318	BPSDVANIWCAMFD-GOSISDBHSA-N	452.514	2.467	5	50	JEBA	
COc1cc(S(=O)(=O)O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43	14983171	CTERCLHSWSQHSD-UHFFFAOYSA-N	472.474	2.333	5	50	JEBA	in-vitro
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	12411107	ZNBNXIPIZWJYMP-PXDATVDWSA-N	477.521	2.317	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC	13154511	FIDCXUJDBRDPRI-JAORQVBISA-N	495.513	2.421	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	8397763	AMVUVURXYZECEP-KEBMYNNESA-N	493.497	2.435	5	50	JEBA	
COc1ccc(N(CC(=O)NC[C@H]2CCCO2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	9280196	WRWDTOQBTZCWBL-GOSISDBHSA-N	463.512	2.402	5	50	JEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NC(C)C)S(C)(=O)=O	2875810	ZLWXBOGKUPVHFZ-UHFFFAOYSA-N	464.500	2.146	5	50	JEBA	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	227020155	KFTWQOYSBQMODJ-KEXUJGGDSA-N	450.451	2.184	5	50	JEBA	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)nc(OC)n1	2134753	IHGOIHHXMULYNS-UHFFFAOYSA-N	489.466	2.220	5	50	JEBA	
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@H]3CCCO3)c2=N)cc1	4197385	QZDBAWPPPATSJK-MRXNPFEDSA-N	450.520	2.449	5	50	JEBA	
COc1cc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	245246040	GJSJKSKMEGFCOS-VKDGWMQASA-N	464.478	2.493	5	50	JEBA	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O	227243469	GPOWBDWNQIAOEA-KEXUJGGDSA-N	450.451	2.184	5	50	JEBA	
CCOC(=O)c1c(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)sc(C(N)=O)c1C	16515584	QIGVVDLULIXDEY-UHFFFAOYSA-N	475.527	2.001	5	50	JEBA	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	245246048	GPOWBDWNQIAOEA-YWNPBTLJSA-N	450.451	2.184	5	50	JEBA	
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCCN4CCOCC4)c3nc12	9304906	BYPCFSSOHOLOCZ-UHFFFAOYSA-N	478.597	2.222	5	50	JEBA	
CCOC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	19782501	XOVKNOZHFZWNIW-FQEVSTJZSA-N	452.467	2.226	5	50	JEBA	
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	245326415	JWEZFCMKECGVBU-AYMMHLMVSA-N	452.492	2.273	5	50	JEBA	
C[C@@H]1CC(=O)[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)[C@H]1C[N+](=O)[O-]	242196967	XGOFFLUEGCVONF-ILXRZTDVSA-N	491.488	2.046	5	50	JEBA	
COc1nccnc1NS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)cc1	16309590	BKFWKFOJLFMISR-UHFFFAOYSA-N	488.398	2.382	5	50	JEBA	
COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-]	12379444	SEMPXGZQRDPXSC-UHFFFAOYSA-N	457.512	2.399	5	50	JEBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2	13618687	MHJVRHXZPNQJMD-ZDUSSCGKSA-N	493.563	2.470	5	50	JEBA	
COc1cc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	227234550	GJSJKSKMEGFCOS-AZXNSQLWSA-N	464.478	2.493	5	50	JEBA	
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	245326843	MBWTUNSTIINXQH-YKSBVNFPSA-N	479.493	2.144	5	50	JEBA	
Cc1nn(CCNC(=O)c2cc(S(=O)(=O)N(C)C)c(Cl)cc2Cl)c(C)c1[N+](=O)[O-]	2794222	RCBLUTFRNNCOOM-UHFFFAOYSA-N	464.331	2.395	5	50	JEBA	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	245326450	KFTWQOYSBQMODJ-YWNPBTLJSA-N	450.451	2.184	5	50	JEBA	
Cc1ncc([N+](=O)[O-])n1CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl	1089441	YTCMCAJISQTDPS-UHFFFAOYSA-N	489.945	2.341	5	50	JEBA	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(C[C@@H]4CCCO4)c3nc12	4112191	MDRBFUUAYBSUJN-INIZCTEOSA-N	450.520	2.449	5	50	JEBA	
NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	247712546	KVVYMIKSWPHUSH-VIQGIDMASA-N	497.895	2.144	5	50	JEBA	
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O	14943748	ZNBNXIPIZWJYMP-BWKNWUBXSA-N	477.521	2.317	5	50	JEBA	
COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1OC	19832325	LYZJEHLSONQPAH-HXUWFJFHSA-N	468.510	2.104	5	50	JEBA	
COC(=O)c1cc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)ccc1Cl	2875400	SKBLZHCZTALHFJ-UHFFFAOYSA-N	471.875	2.448	5	50	JEBA	
Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21	16475393	LZNLJOJPZXERGT-UHFFFAOYSA-N	463.416	2.491	5	50	JEBA	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl	2792710	FKLGFILYYLWLPP-UHFFFAOYSA-N	462.315	2.313	5	50	JEBA	
CCn1cc([N+](=O)[O-])c(C(=O)N(C(=O)c2c([N+](=O)[O-])cnn2CC)c2cc(OC)ccc2OC)n1	2744062	ZYCVCVXLJZBOLA-UHFFFAOYSA-N	487.429	2.440	5	50	JEBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2ccc(Cn3cc(Cl)cn3)cc2)n1	12446652	OVGYMXSPSBAFCX-UHFFFAOYSA-N	456.850	2.359	5	50	JEBA	
CCn1cc([N+](=O)[O-])c(C(=O)N(C(=O)c2c([N+](=O)[O-])cnn2CC)c2ccsc2C(=O)OC)n1	2744030	CVWNRUWIEPPGFC-UHFFFAOYSA-N	491.442	2.271	5	50	JEBA	
COc1cc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c([N+](=O)[O-])cc1OC	9971393	YFONSCQJUSJMGV-CQSZACIVSA-N	465.484	2.322	5	50	JEBA	
COCCCN1C(=O)/C(=C\c2cnn(C)c2)N=C1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	13959612	FIRQITZADQOLLG-LICLKQGHSA-N	458.500	2.276	5	50	JEBA	
O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccc3c(c2)OCO3)no1	20494282	VFOSQLYALHVSMP-UHFFFAOYSA-N	459.802	2.187	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	9167257	BTIHQHWGAFWJGS-PRWBYUBPSA-N	493.497	2.242	5	50	JEBA	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccccc4)c(=N)n(C[C@H]4CCCO4)c3nc12	100642381	MDRBFUUAYBSUJN-MRXNPFEDSA-N	450.520	2.449	5	50	JEBA	
CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	16213805	FGGMSDMZSLJCKJ-UHFFFAOYSA-N	496.567	2.174	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	2672483	HMZBLMDEIXOELW-LYPXWFNGSA-N	485.543	2.395	5	50	JEBA	
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CN2CCOCC2)cc1	16286192	QIDQWTMYNQAEEX-UHFFFAOYSA-N	456.455	2.295	5	50	JEBA	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	2854935	WFISDVNRVKKVTJ-UHFFFAOYSA-N	484.556	2.030	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1	2936798	VYFYOZNAZGEHIH-RZXXJPOTSA-N	495.513	2.334	5	50	JEBA	
O=S(=O)(O)c1cc(O)c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c34	3594314	OBJOZRVSMLPASY-UHFFFAOYSA-N	458.447	2.030	5	50	JEBA	in-vitro
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@H]2[C@@H](C)O1	248017003	KUOCMCREKMYJIL-UOPMXTKVSA-N	450.451	2.403	5	50	JEBA	
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	886024595	LXZZYFXAGSOWQJ-LSDHHAIUSA-N	477.473	2.376	5	50	JEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(C)(=O)=O	13152869	UWNHKJNWQYTLOY-UHFFFAOYSA-N	476.511	2.244	5	50	JEBA	
CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	2835066	XNIRTEDEKFQPTK-INIZCTEOSA-N	480.882	2.391	5	50	JEBA	
COc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N=C3O)[C@H]2C1	245328238	UMWHGVICHIMKDE-GOSISDBHSA-N	451.439	2.252	5	50	JEBA	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(Cl)cc1	230046911	SWBRQCZOTHIJNB-UWJYYQICSA-N	456.842	2.279	5	50	JEBA	
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	252430661	COZVZLVOMBYYJR-XMSQKQJNSA-N	469.885	2.194	5	50	JEBA	
CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1ccc(Br)cc1	16426739	PDTZCMYDJYHRMV-UHFFFAOYSA-N	497.371	2.327	5	50	JEBA	
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	2734582	WHKRVYUWHSBHQF-UHFFFAOYSA-N	472.460	2.119	5	50	JEBA	
CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4535862	IHRYETONKBXGOF-FQEVSTJZSA-N	499.524	2.107	5	50	JEBA	
O=C(COc1ccccc1F)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	16213946	DNEFKGUJZZYNIA-UHFFFAOYSA-N	462.453	2.437	5	50	JEBA	
Cc1ncc([N+](=O)[O-])n1CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Cl)c1	1011637	CCZHKDVPROXTRE-UHFFFAOYSA-N	489.945	2.341	5	50	JEBA	
CC1=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)[C@@H]1C(=O)C(=O)Nc1cccc(C)c1C	104161693	KMODGUZTVQRNFI-KRWDZBQOSA-N	467.394	2.302	5	50	JEBA	
O=C(NCC1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12	888088666	KROBADHHQZENHL-JDFHOKRYSA-N	478.549	2.464	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1	28467490	HMZBLMDEIXOELW-XYSGSMRZSA-N	485.543	2.395	5	50	JEBA	
O=C([C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1)N1CCN(c2ccccc2)CC1	2818847	SKYYYJWTCOWITL-SFHVURJKSA-N	458.540	2.344	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cccs1	22242015	QEMGCKSCVMLZNJ-OBHPCNEJSA-N	471.516	2.474	5	50	JEBA	
CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)[C@H]1C(=O)C(=O)NCc1ccc(Cl)cc1	104161703	FPUSANRTWOHGRU-MRXNPFEDSA-N	459.802	2.381	5	50	JEBA	
CCCCOC(=O)Cn1c(=O)c2nc3cc(-c4cccc([N+](=O)[O-])c4)oc3nc2n(C)c1=O	225402351	KUCVDSOFVKIYIQ-UHFFFAOYSA-N	453.411	2.155	5	50	JEBA	
C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCN2CCOCC2)c1=N)c1ccccc1	8433219	ZOALHSBJALBQRP-IBGZPJMESA-N	486.576	2.342	5	50	JEBA	
Cc1ncc(C[n+]2csc(CCOC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c(=N)[nH]1	1857798692	YCGMCWKEOIPJMM-UHFFFAOYSA-N	499.573	2.048	5	50	JEBA	
CCn1ncc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c1C(=O)N1CCOCC1	2809528	YFJHUECSUMUWKM-UHFFFAOYSA-N	487.904	2.434	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	16711757	CYLYJTYQEJSHLJ-YWFITGJYSA-N	493.497	2.103	5	50	JEBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC(=O)OCC(=O)c1ccc(Cl)cc1Cl	3000306	QQGPCIGXAFPPPX-UHFFFAOYSA-N	494.243	2.040	5	50	JEBA	
O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CCCC2	9360842	UJXLEWQLSCXENY-ZDUSSCGKSA-N	493.563	2.470	5	50	JEBA	
COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	19853172	SFNLSVQGCYJQFM-UHFFFAOYSA-N	451.501	2.127	5	50	JEBA	
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	252430660	COZVZLVOMBYYJR-GCJKJVERSA-N	469.885	2.194	5	50	JEBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1	899490	RXODUZGBQJAFDM-UHFFFAOYSA-N	461.521	2.443	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)cc1	15659526	OYSMLRFBDMXOPJ-QMDZLVRISA-N	469.475	2.308	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	9167251	BTIHQHWGAFWJGS-SRKIZSPNSA-N	493.497	2.242	5	50	JEBA	
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(C(C)(C)C)C3=O)[C@H]2C1	245326110	JEFMTKKVFZBMIY-QHXAMGISSA-N	472.498	2.367	5	50	JEBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	16347155	FBJDYBNFWNREIP-UHFFFAOYSA-N	452.514	2.433	5	50	JEBA	
CCc1ccccc1-n1cc(C(=O)N(C)[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)nn1	2325827368	DJKWPZNVBAPSQM-LJQANCHMSA-N	478.509	2.490	5	50	JEBA	
O=c1c2ccc3c(=O)n(-c4cccc(O)c4)c(=O)c4ccc(c(=O)n1-c1cccc(O)c1)c2c34	828300	SEMFLPWCOKACHM-UHFFFAOYSA-N	450.406	2.455	5	50	JEBA	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(Cl)cc1	247427160	SWBRQCZOTHIJNB-LAUBAEHRSA-N	456.842	2.279	5	50	JEBA	
O=C(NCCN1CCOCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1	20025252	DRHKZRCWZZKONJ-UHFFFAOYSA-N	464.404	2.385	5	50	JEBA	
CNS(=O)(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc1	12649378	HLWUWYBAWRRJSN-LWYUSKRHSA-N	460.516	2.029	5	50	JEBA	
Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(Cc4cccnc4)c3nc12	100675419	RLMFVPULGWOLBJ-UHFFFAOYSA-N	451.490	2.205	5	50	JEBA	
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCc4ccccc4)C3=O)[C@@H]12	252383268	ACOOERAXNZDZTQ-PKHCBNPCSA-N	478.505	2.441	5	50	JEBA	
CCOC(=O)c1sc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)c(C(=O)OCC)c1C	9031837	AOPIQKYRLHXDDL-UHFFFAOYSA-N	469.432	2.370	5	50	JEBA	
O=C(NCCc1cnc[nH]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	888105690	YPXSAKDHZNHBOF-OGPHDPQKSA-N	474.521	2.003	5	50	JEBA	
COc1cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC	9014036	WDTQUHVWGFSTGD-UHFFFAOYSA-N	460.512	2.458	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	6242519	JUZVWMGUPMDDSL-YWFITGJYSA-N	465.487	2.325	5	50	JEBA	
CCOC(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	2864300	PFQNAWMQXMQQHI-UHFFFAOYSA-N	451.457	2.185	5	50	JEBA	
C[C@@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1	16383215	QEMNTVXHLNVLMA-MRXNPFEDSA-N	464.519	2.470	5	50	JEBA	
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	2134712	MFQLOQXATAGXBJ-UHFFFAOYSA-N	476.492	2.295	5	50	JEBA	
CCS(=O)(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1	9392316	BPSDVANIWCAMFD-SFHVURJKSA-N	452.514	2.467	5	50	JEBA	
COc1ccccc1N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(C)C(=O)N=C3O)[C@@H]2C1	227079101	DGLRVUMSDVUZHM-WMZHIEFXSA-N	465.466	2.390	5	50	JEBA	
O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1	15746017	TWTBHSYSRDUGQV-UHFFFAOYSA-N	450.492	2.081	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1	16805486	FATSXZUIXGYWCF-LYPXWFNGSA-N	485.543	2.395	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1	16711770	WTEXCCXEQARYRF-YWFITGJYSA-N	493.497	2.103	5	50	JEBA	
Cc1nn(CCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c(C)c1[N+](=O)[O-]	20294296	MIGIVIYZIXZEIE-UHFFFAOYSA-N	460.476	2.418	5	50	JEBA	
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N(c4ccc(OC)cc4)C3=O)[C@H]2C1	245326842	MBWTUNSTIINXQH-HYBUGGRVSA-N	479.493	2.144	5	50	JEBA	
COC[C@@H](Oc1cc(F)cc(F)c1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	2325826496	CMJWUVRUMBCXDW-OAHLLOKOSA-N	450.803	2.425	5	50	JEBA	
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@@H]3CCCO3)c2=N)cc1	100677665	QZDBAWPPPATSJK-INIZCTEOSA-N	450.520	2.449	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	16711755	CYLYJTYQEJSHLJ-VOMPUTFMSA-N	493.497	2.103	5	50	JEBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1	1178520	VWRAAEPIEXLVDW-UHFFFAOYSA-N	461.521	2.443	5	50	JEBA	
COc1ccc(N(CC(=O)NC[C@@H]2CCCO2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	15722475	JUQIRFJAQBOSON-INIZCTEOSA-N	479.511	2.103	5	50	JEBA	
O=c1c2ccc3c(=O)n(-c4ccccc4O)c(=O)c4ccc(c(=O)n1-c1ccccc1O)c2c34	828299	LTOJBYVTUPPJNP-UHFFFAOYSA-N	450.406	2.455	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1	831278	JUZVWMGUPMDDSL-JKALPCAWSA-N	465.487	2.325	5	50	JEBA	
CS(=O)(=O)CC[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)N1C(=O)c2ccccc2C1=O	16447520	VEQFRBMRKGRCEY-QGZVFWFLSA-N	480.882	2.391	5	50	JEBA	
COc1ccc(CCNc2cc(N3CCN(S(C)(=O)=O)CC3)ccc2[N+](=O)[O-])cc1OC	8816231	XEDVNMUPXDKOKO-UHFFFAOYSA-N	464.544	2.348	5	50	JEBA	
O=C(NCCCn1ccnc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	888105610	AFMLLGRNRSHERQ-SLXNBQQMSA-N	488.548	2.324	5	50	JEBA	
COC[C@H](Oc1cc(F)cc(F)c1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	2325826495	CMJWUVRUMBCXDW-HNNXBMFYSA-N	450.803	2.425	5	50	JEBA	
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C1=O	230039208	ZNBNXIPIZWJYMP-OFVILXPXSA-N	477.521	2.317	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	2520470	HMZBLMDEIXOELW-GTVARFKMSA-N	485.543	2.395	5	50	JEBA	
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]12	248016997	KUOCMCREKMYJIL-TXVUGPKNSA-N	450.451	2.403	5	50	JEBA	
COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCCN2CCOCC2)cc1	33932236	YDEUUGUBAVCAJO-OQKWZONESA-N	468.510	2.213	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	16700483	BYXOIAUUFBSDGG-VOMPUTFMSA-N	465.487	2.325	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccccc1OC	8400262	PHROBONFKUOKLK-YWFITGJYSA-N	495.513	2.421	5	50	JEBA	
CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	2864397	OVYXFNBVGNTTSL-UHFFFAOYSA-N	451.457	2.185	5	50	JEBA	
COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)n[nH]2)cc1OC	1772493160	HKNUGKSQKPYATJ-ZFWWWQNUSA-N	465.466	2.423	5	50	JEBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](CO)NC(=O)c2ccccc2)n1C	2869257	YWEQJOPPRLYNKM-QGZVFWFLSA-N	470.511	2.226	5	50	JEBA	
CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c([N+](=O)[O-])cnc3C)n2C)cc1	12411056	AECNFOUEASFJOA-UHFFFAOYSA-N	459.488	2.184	5	50	JEBA	
COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	13402699	SFMBDZBUPXEVAK-UHFFFAOYSA-N	451.501	2.260	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1	16790813	RRZUJRQVBIAMOF-VOMPUTFMSA-N	465.487	2.325	5	50	JEBA	
COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	16226961	WZFDZUKBIDINMN-UHFFFAOYSA-N	471.875	2.448	5	50	JEBA	
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCOCC4)c(F)cc3[N+](=O)[O-])CC2)cc1	15746013	SKCAFUVJEFWYHC-UHFFFAOYSA-N	464.519	2.390	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccccc1OC	8400257	PHROBONFKUOKLK-VOMPUTFMSA-N	495.513	2.421	5	50	JEBA	
C[C@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccccc1	16383219	QEMNTVXHLNVLMA-INIZCTEOSA-N	464.519	2.470	5	50	JEBA	
O=[N+]([O-])c1ccc(-n2nnnc2C(Cl)(Cl)c2nnnn2-c2ccc([N+](=O)[O-])cc2)cc1	9972453	QDMAMGOQIABFOO-UHFFFAOYSA-N	463.201	2.133	5	50	JEBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccccc4OC)CC3)c2)CC1	4036573	HOZUMEPLUIMJIR-UHFFFAOYSA-N	489.598	2.402	5	50	JEBA	
Cc1cc(=O)[nH]c(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1	13544936	JRWQHMFCYXEIEJ-UHFFFAOYSA-N	467.510	2.007	5	50	JEBA	
O=C(c1ccco1)N1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)CC1	18172617	MXCTZZAQVVKSEC-MBWAJUJLSA-N	454.487	2.059	5	50	JEBA	
COc1cc(N2C(=O)[C@@H]3[C@H](C(C)C)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	245245719	GJSJKSKMEGFCOS-CMCWBKRRSA-N	464.478	2.493	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccco1	13914403	LBVTXHVPRLZYTL-GANRHZMWSA-N	485.474	2.014	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	2681546	CYLYJTYQEJSHLJ-JKALPCAWSA-N	493.497	2.103	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1	831280	JUZVWMGUPMDDSL-SQWSFHKJSA-N	465.487	2.325	5	50	JEBA	
Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1	2797054	CLLUJOSFKNGNDS-UHFFFAOYSA-N	478.263	2.445	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC	13154513	FIDCXUJDBRDPRI-JCAJYURWSA-N	495.513	2.421	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cccs1	22242012	QEMGCKSCVMLZNJ-IUYQLWOBSA-N	471.516	2.474	5	50	JEBA	
COc1cc(OC)c(OC)cc1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	19851784	RXGKITGYVIETBA-UHFFFAOYSA-N	451.501	2.127	5	50	JEBA	
COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1	2837174	XIDMFXQNYWLCJR-UHFFFAOYSA-N	456.484	2.393	5	50	JEBA	
C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]12	252383407	ZCMOZOPBXLRFNM-BDCMKYTISA-N	464.478	2.398	5	50	JEBA	
CN(C[C@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1	34842286	JGEBLDKNWBUGRZ-FQEVSTJZSA-N	495.561	2.153	5	50	JEBA	in-vitro
CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(CCc4ccccc4)C(=O)N=C3O)[C@H]2C1	245329205	YFDMJGABDQTZBF-HYBUGGRVSA-N	463.494	2.419	5	50	JEBA	
Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NSc3ncccc3[N+](=O)[O-])C(=O)O)c2)cc1	28631498	HREPATZNEVVIAA-OAHLLOKOSA-N	463.497	2.024	5	50	JEBA	
CC1=NN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C(=O)[C@H]1C(=O)C(=O)Nc1cccc(C)c1C	104161696	KMODGUZTVQRNFI-QGZVFWFLSA-N	467.394	2.302	5	50	JEBA	
CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc21	170621898	GSCDLDJVSASCHD-QGZVFWFLSA-N	466.502	2.326	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccco1	13914405	LBVTXHVPRLZYTL-BXBHGGAKSA-N	485.474	2.014	5	50	JEBA	
CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc21	170621897	GSCDLDJVSASCHD-KRWDZBQOSA-N	466.502	2.326	5	50	JEBA	
COc1ccc(CCNc2cc(N3CCN(S(=O)(=O)N(C)C)CC3)ccc2[N+](=O)[O-])cc1OC	9010396	GDISEYPTUOFNQX-UHFFFAOYSA-N	493.586	2.195	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1	2681592	WTEXCCXEQARYRF-JKALPCAWSA-N	493.497	2.103	5	50	JEBA	
COC(=O)[C@@H](CCCCNC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1	3958653	WHJBDEUJUMNSJS-GOSISDBHSA-N	458.427	2.375	5	50	JEBA	biogenic,in-vitro
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccc3ccccc3c2)c([N+](=O)[O-])c1	2862637	APYAVCNTIGTNHK-UHFFFAOYSA-N	471.491	2.194	5	50	JEBA	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	245246047	GPOWBDWNQIAOEA-QPXQOZNCSA-N	450.451	2.184	5	50	JEBA	
C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCN2CCOCC2)c1=N)c1ccccc1	8433220	ZOALHSBJALBQRP-LJQANCHMSA-N	486.576	2.342	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)cc1	15659525	OYSMLRFBDMXOPJ-JVCXIRSZSA-N	469.475	2.308	5	50	JEBA	
COc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)n[nH]2)cc1OC	409413254	HKNUGKSQKPYATJ-DZGCQCFKSA-N	465.466	2.423	5	50	JEBA	biogenic
CN(C[C@@H]1COCCO1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1	34842284	JGEBLDKNWBUGRZ-HXUWFJFHSA-N	495.561	2.153	5	50	JEBA	in-man
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(OC)n1	2026562	DYKGEWLZIRJLGI-UHFFFAOYSA-N	459.440	2.455	5	50	JEBA	
CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4535869	IHRYETONKBXGOF-HXUWFJFHSA-N	499.524	2.107	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cccc(OC)c1	8400249	ZFHSNOVOCBTEKO-VOMPUTFMSA-N	495.513	2.421	5	50	JEBA	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCN(C)CC4)c3)CC2)cc1	4162585	WRWTVLFUOGSUHO-UHFFFAOYSA-N	459.572	2.166	5	50	JEBA	
COC(=O)[C@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)C(=O)C(=O)Nc1ccccc1[N+](=O)[O-]	8653658	JMVAKDKBTGCEPQ-LLVKDONJSA-N	458.814	2.024	5	50	JEBA	
O=C(OCC1=Nc2cccc(F)c2S(=O)(=O)N1)c1cc2c(cc1[N+](=O)[O-])OCCCO2	2325874369	KEVRGFQRALIORG-UHFFFAOYSA-N	451.388	2.074	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1	28467493	HMZBLMDEIXOELW-WPNIOXTASA-N	485.543	2.395	5	50	JEBA	
CCOC(=O)N1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	881204	GKCAHNYTNOWNII-UHFFFAOYSA-N	476.511	2.091	5	50	JEBA	
COC(=O)C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)c1c(O)n(CCc2cnc[nH]2)c(C)cc1=O	1848443886	VOBQIDJHSAEFAW-OAHLLOKOSA-N	470.438	2.160	5	50	JEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O	2879558	KOTKDWCETWMYRD-UHFFFAOYSA-N	453.542	2.419	5	50	JEBA	
CS(=O)(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1	8666157	PDHFGEJJPSGTNG-UHFFFAOYSA-N	462.572	2.231	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1cccs1	16805488	FATSXZUIXGYWCF-GTVARFKMSA-N	485.543	2.395	5	50	JEBA	
CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1ccc(Cl)cc1	16381756	TVDLEUFSFXXHBH-UHFFFAOYSA-N	452.920	2.218	5	50	JEBA	
COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(OC)c1OC	19851953	AUKZUPANOYLZKW-UHFFFAOYSA-N	451.501	2.127	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	6237832	TUSFROGZHXUHFE-OXRZLYTFSA-N	453.451	2.456	5	50	JEBA	
CS(=O)(=O)CC[C@H](C(=O)OCc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	2835067	XNIRTEDEKFQPTK-MRXNPFEDSA-N	480.882	2.391	5	50	JEBA	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccs1	16805490	HOGDRBSEZLRPAF-LYPXWFNGSA-N	485.543	2.395	5	50	JEBA	
CCOC(=O)N1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1	15821854	NQLLPQVMMPORKG-UHFFFAOYSA-N	476.511	2.091	5	50	JEBA	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C(C)C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O	245326449	KFTWQOYSBQMODJ-QPXQOZNCSA-N	450.451	2.184	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	8836889	TUSFROGZHXUHFE-GTENMVSRSA-N	453.451	2.456	5	50	JEBA	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	8397759	AMVUVURXYZECEP-IDQDRXHYSA-N	493.497	2.435	5	50	JEBA	
COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCCN2CCOCC2)cc1	19706701	YDEUUGUBAVCAJO-XLNRJJMWSA-N	468.510	2.213	5	50	JEBA	
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@H]2[C@@H](C)O1	252383408	ZCMOZOPBXLRFNM-JMZRQEEVSA-N	464.478	2.398	5	50	JEBA	
CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1Cl)N1C(=O)c2ccccc2C1=O	16447518	VEQFRBMRKGRCEY-KRWDZBQOSA-N	480.882	2.391	5	50	JEBA	
CCOC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	100632876	XOVKNOZHFZWNIW-HXUWFJFHSA-N	452.467	2.226	5	50	JEBA	
CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	245247217	RYTYBAMWBXKNBE-AYMMHLMVSA-N	452.492	2.273	5	50	JEBA	
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	248117920	QJMTVDYYNXWLHH-GKIGCEAWSA-N	480.452	2.482	5	50	JEBA	
COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1	4125259	OKGGFMFQDGYJQH-UHFFFAOYSA-N	456.499	2.411	5	50	JEBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@H](CO)NC(=O)c2ccccc2)n1C	2869258	YWEQJOPPRLYNKM-KRWDZBQOSA-N	470.511	2.226	5	50	JEBA	
COC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	16700486	BYXOIAUUFBSDGG-YWFITGJYSA-N	465.487	2.325	5	50	JEBA	
O=C(O)CNC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1	2821286	MSUUTKGAIFUMDE-PDGQHHTCSA-N	478.417	2.412	5	50	JEBA	
CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1	16248280	RXCKFWVUPQGVTB-UHFFFAOYSA-N	452.920	2.363	5	50	JEBA