smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1=C(C(N)=O)[C@H](c2ccccc2[N+](=O)[O-])N2NN=NC2=N1	71479	KRGUSLKZPZOEEC-JTQLQIEISA-N	301.266	0.952	5	50	DCBA	
CCc1nn(C)c(N2CCCN([C@@H](C)CO)CC2)c1[N+](=O)[O-]	253431527	RRUMRMVRIKGMJM-NSHDSACASA-N	311.386	0.784	5	50	DCBA	
NC(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1	19867937	OXHTUGYXHLRGMN-UHFFFAOYSA-N	308.338	0.828	5	50	DCBA	
O=[N+]([O-])c1ccccc1CN1CCN(CCOCCO)CC1	2875084	TXXYCPCIXXFNPI-UHFFFAOYSA-N	309.366	0.721	5	50	DCBA	
CNC(=O)[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1	184048739	FGIIFKVEHYQDRV-CYBMUJFWSA-N	309.322	0.420	5	50	DCBA	
O=C(CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)NC1CCCC1	1463865102	GAFZTOOJFHRNQN-UHFFFAOYSA-N	315.717	0.760	5	50	DCBA	
CCOC(=O)Cn1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1	12413522	HVVMOUPHJDGIMX-UHFFFAOYSA-N	322.281	0.190	5	50	DCBA	
O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](O)c1cnc[nH]1	952881296	GEQVSWIMKOCMCA-ZDUSSCGKSA-N	319.321	0.970	5	50	DCBA	
NC(=O)[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	225662000	ROJSXAOWPJAXJT-QMMMGPOBSA-N	302.674	0.216	5	50	DCBA	
CCOc1cc(CN2C[C@H](O)C[C@H]2C(N)=O)ccc1[N+](=O)[O-]	596620833	HBWXLKHHBZPHMJ-PWSUYJOCSA-N	309.322	0.414	5	50	DCBA	
Cc1cc([N+](=O)[O-])nn1Cc1nc2c3cnn(C)c3ncn2n1	2802882	YPWJQTYKNDNYKV-UHFFFAOYSA-N	313.281	0.472	5	50	DCBA	
CC(C)(CN1CCOCC1)NC(=O)Cn1cc([N+](=O)[O-])cn1	331359985	XGCCDKLZDDSTMY-UHFFFAOYSA-N	311.342	0.018	5	50	DCBA	
C[C@H](C(=O)N1N=CC[C@@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1	6852705	HNOSDQXBWYMKGH-HZGVNTEJSA-N	321.215	0.821	5	50	DCBA	
O=c1[nH]c(/C=C\c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(=O)[nH]1	5012589	DDMIGSXWDRQILX-IWQZZHSRSA-N	303.230	0.871	5	50	DCBA	
C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCCO1	408518403	FZDRHTOZDMUNJN-SECBINFHSA-N	315.351	0.857	5	50	DCBA	
CN1C=C(C(=O)NCC[N+]2(C)CCOCC2)C=C/C1=C\N=O	135772922	ZITUEDYNASUNOX-SDNWHVSQSA-O	307.374	0.573	5	50	DCBA	
CC1=C(C(N)=O)[C@H](c2ccccc2[N+](=O)[O-])N2NC=NC2=N1	13125247	DGNKIRJCHUBLQD-NSHDSACASA-N	300.278	0.613	5	50	DCBA	
COC(=O)c1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1	216964	JPBPUEHTGCHBIC-UHFFFAOYSA-N	305.250	0.612	5	50	DCBA	
O=C1NCCn2c(CCNc3ccc(F)cc3[N+](=O)[O-])nnc21	952993701	JCXAZNONYVSUTP-UHFFFAOYSA-N	320.284	0.723	5	50	DCBA	
NC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	198180	IKUKJAFFKBIHSL-UHFFFAOYSA-N	313.335	0.481	5	50	DCBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC(CO)(CO)CO	4046021	IEEVZAUUXLOGQE-UHFFFAOYSA-N	310.228	0.741	5	50	DCBA	
CCn1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C(N)=O	2781945	FWZJNQMMLQTVLR-UHFFFAOYSA-N	321.297	0.135	5	50	DCBA	
CCn1c(=N)c(C(=O)NC)cc2c(=O)n3cccc(C)c3nc21	100627709	NQBGFGFQNAOPIR-UHFFFAOYSA-N	311.345	0.817	5	50	DCBA	aggregator
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@@H]1C(F)F	367479872	FVPPKHXIIYFZOX-SECBINFHSA-N	321.305	0.822	5	50	DCBA	
Cc1nn(CC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	6921628	BEOMKHKDMDEMKH-SECBINFHSA-N	321.215	0.569	5	50	DCBA	
CC(C)N1C(=O)C[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1=O	267272647	SUQRHRGFZFEMCN-JTQLQIEISA-N	320.305	0.443	5	50	DCBA	
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)n1	408370447	LBPDPZUKDHFJFQ-DOJKMWFOSA-N	314.367	0.793	5	50	DCBA	
O=C(C[S@@](=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCO1	585138244	XVUCEEDZLYMPOL-WSVYEEACSA-N	312.347	0.998	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N=C(N)S1	1812397	ICOAWPGWOQSNET-VIFPVBQESA-N	324.318	0.889	5	50	DCBA	
C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCO1	171047762	OAZXQBKIMKNVLA-SECBINFHSA-N	315.351	0.857	5	50	DCBA	
CCc1nn(C)c(N2CCCN([C@H](C)CO)CC2)c1[N+](=O)[O-]	253431525	RRUMRMVRIKGMJM-LLVKDONJSA-N	311.386	0.784	5	50	DCBA	
C[C@@H](C(=O)N1N=CC[C@@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1	6850499	HNOSDQXBWYMKGH-IMTBSYHQSA-N	321.215	0.821	5	50	DCBA	
NS(=O)(=O)CCOCCNc1ccc([N+](=O)[O-])cc1Cl	253430139	PZSPBYXQMDPHGY-UHFFFAOYSA-N	323.758	0.965	5	50	DCBA	
Cc1nn(CC(=O)NCCCn2ccnc2)c(C)c1[N+](=O)[O-]	2917545	BKGCGUHUACOOPK-UHFFFAOYSA-N	306.326	0.811	5	50	DCBA	
COC(=O)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1C	585120079	OZYVEQJQJVRCPN-UHFFFAOYSA-N	324.293	0.314	5	50	DCBA	
Cc1nc2cc([N+](=O)[O-])cc(N3CCOCC3)c2c(=O)n1C	6659392	LTSMAIIOBMAJKU-UHFFFAOYSA-N	304.306	0.987	5	50	DCBA	
COC[C@@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	725373298	QDNRCFDXIAGDPR-JTQLQIEISA-N	315.351	0.204	5	50	DCBA	
CC(=O)O[C@H]1[C@@H]([N+](C)(C)C)CC[C@@H](OC(C)=O)[C@@H]1[N+](C)(C)C	252430923	TVFVTFAELUPCTQ-FZKCQIBNSA-N	316.442	0.793	5	50	DCBA	
Cc1cc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C	409414046	MEJQLABEQDUQTJ-BCTPILQISA-N	312.322	0.451	5	50	DCBA	
C[C@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CCCO1	408518404	FZDRHTOZDMUNJN-VIFPVBQESA-N	315.351	0.857	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2(CCNCC2)C1	725373162	OXOUIHQNHOHCMA-UHFFFAOYSA-N	311.363	0.969	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1C	2584110	YEDYTEIDZHBYFH-UHFFFAOYSA-N	324.322	0.858	5	50	DCBA	
CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@]23CCOC3)n1	408426394	SNWRUNWPKVABDH-ZDUSSCGKSA-N	310.310	0.443	5	50	DCBA	
Cc1nn(CC(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	6921636	BEOMKHKDMDEMKH-VIFPVBQESA-N	321.215	0.569	5	50	DCBA	
Cn1cnc2c1c(=O)n(Cc1ccc([N+](=O)[O-])cc1)c(=O)n2C	459808	MUDCRYOVHSBIQH-UHFFFAOYSA-N	315.289	0.390	5	50	DCBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1	4053472	LBIZFPLNGKYPSX-UHFFFAOYSA-N	303.315	0.816	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1N=CC[C@]1(O)C(F)(F)F	6828469	YPWJQLHRBZJPAG-QMMMGPOBSA-N	307.188	0.260	5	50	DCBA	
CCOC(=O)N1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	4820707	IFPBSYZASBDZFJ-UHFFFAOYSA-N	311.298	0.092	5	50	DCBA	
C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CCO	585094503	SSTCKZSUPSTXBY-XBFCOCLRSA-N	312.370	0.635	5	50	DCBA	
Cc1ccnc(NCCNS(=O)(=O)NC(C)C)c1[N+](=O)[O-]	276937745	ALYPEIBPKLQJQQ-UHFFFAOYSA-N	317.371	0.543	5	50	DCBA	
O=C1NC2(COC2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1	1775992844	WEVKCGNRRJPFGL-UHFFFAOYSA-N	307.262	0.294	5	50	DCBA	
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	4344169	XEKBNNVVCDSGBZ-JTQLQIEISA-N	300.292	0.833	5	50	DCBA	
NC(=O)N[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	273169624	OQWMEJNEAORDID-MNOVXSKESA-N	324.337	0.077	5	50	DCBA	
CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)N2NN=NC2=N1	71493	TUSLZPXDNDZREM-SNVBAGLBSA-N	301.266	0.952	5	50	DCBA	
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2CC[C@@H](O)[C@H]1C2	1775999444	MUBWTHRYDQSNTK-RAIGVLPGSA-N	308.338	0.943	5	50	DCBA	
C[C@H](O)CN(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-]	298509300	KNRSOHYMEWYXAX-NSHDSACASA-N	311.338	0.599	5	50	DCBA	
CN1CCC(Nc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1	408523882	VVPPZTXGTGANMM-UHFFFAOYSA-N	314.367	0.748	5	50	DCBA	
COC1(C)CN(c2ncnc(N3CC(C)(OC)C3)c2[N+](=O)[O-])C1	585092871	RORWLXHARQNVQX-UHFFFAOYSA-N	323.353	0.835	5	50	DCBA	
Nc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-]	952992375	LKRNSWCGQDCAAP-DGCLKSJQSA-N	307.354	0.607	5	50	DCBA	
NC(=O)N[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	273169626	OQWMEJNEAORDID-WDEREUQCSA-N	324.337	0.077	5	50	DCBA	
COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)C[C@@H](N)C(=O)O	72266931	ATNVWKDWOLQDKH-MRVPVSSYSA-N	309.278	0.295	5	50	DCBA	in-vitro
CNc1nccc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1[N+](=O)[O-]	594313871	UKXYQLMVOBTTHA-SECBINFHSA-N	309.326	0.661	5	50	DCBA	
Nc1nc(O)cc([C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)n1	585117916	BKDQLRHRGWGIGH-QMMMGPOBSA-N	302.294	1.062	5	50	DCBA	
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1Cl	169682624	NGWUZGSHJOZWRB-UKKRHICBSA-N	304.686	0.099	5	50	DCBA	biogenic
C[C@@]1(CCC(=O)OCC[N+](C)(C)C)OC[C@H](C[N+](C)(C)C)O1	2006824	FFMKFYHJXGYMJN-GOEBONIOSA-N	318.458	0.854	5	50	DCBA	
COc1ccc(C(=O)NCCN2CCOCC2)cc1[N+](=O)[O-]	20058029	LUINACVPCULOHO-UHFFFAOYSA-N	309.322	0.665	5	50	DCBA	
COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-]	461041	RUEKIIBSNYMRRD-UHFFFAOYSA-N	307.306	0.941	5	50	DCBA	
COC[C@H]1CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CCO1	408518737	XHPPGPIHASNUDB-SECBINFHSA-N	311.294	0.628	5	50	DCBA	
O=C(CCn1cc([N+](=O)[O-])cn1)N1N=CC[C@]1(O)C(F)(F)F	6828484	ZOUNUAHBOKIGRF-VIFPVBQESA-N	321.215	0.650	5	50	DCBA	
Cc1[nH]nc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)c1[N+](=O)[O-]	456209456	KLBJZAYDMOHQGO-DTORHVGOSA-N	311.342	0.153	5	50	DCBA	
C[N+]1(C)CCOCCOCC[N+](C)(C)CCOCCOCC1	5377568	ZVRPLWFJEYUXPF-UHFFFAOYSA-N	320.474	0.219	5	50	DCBA	
O=C(NC[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1	20232445	ZUWYGHLCRAXRNF-CYBMUJFWSA-N	309.322	0.018	5	50	DCBA	
COC(=O)c1cc(N2C[C@H](O)C[C@H]2C(=O)OC)ccc1[N+](=O)[O-]	170613061	ZSAZXQSHMZOWGH-SKDRFNHKSA-N	324.289	0.494	5	50	DCBA	
CN1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	575788617	RCBNAKKCXPUITB-QWHCGFSZSA-N	323.353	0.113	5	50	DCBA	
C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	4899591	WUOZBACYMYYTOQ-CABZTGNLSA-N	306.322	0.872	5	50	DCBA	
O=C(CCn1cc([N+](=O)[O-])cn1)N1N=CC[C@@]1(O)C(F)(F)F	6828480	ZOUNUAHBOKIGRF-SECBINFHSA-N	321.215	0.650	5	50	DCBA	
COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	458112996	YQNRGIUZFFUZCI-ADEWGFFLSA-N	322.321	0.591	5	50	DCBA	
O=[N+]([O-])c1ccc(NCCNCCO)cc1N1CCOCC1	5018822	BUBTXRFWTJOALI-UHFFFAOYSA-N	310.354	0.425	5	50	DCBA	
CC1(C)NC(=O)N(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O	202609	QLBDDCMDYBXEAO-VIFPVBQESA-N	323.305	0.665	5	50	DCBA	
N[C@@]1(CO)CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	725372946	DGLRSWRIPDCJHW-LBPRGKRZSA-N	315.351	0.069	5	50	DCBA	
CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@]23CCOC3)n1	408426393	SNWRUNWPKVABDH-CYBMUJFWSA-N	310.310	0.443	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1	19606718	WKRFRVXMMMLBEY-UHFFFAOYSA-N	315.351	0.205	5	50	DCBA	
Cc1nnnn1CCCn1cc(Br)c([N+](=O)[O-])n1	585118342	LCNFWUVFAAIBCI-UHFFFAOYSA-N	316.119	0.939	5	50	DCBA	
O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2	239309196	HGPZOPYXWPAUKK-YXMPFFBPSA-N	316.269	0.966	5	50	DCBA	
CN(C)C(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)CCCCC1	297108607	ZMWIPRNSXDNUGX-UHFFFAOYSA-N	323.353	0.699	5	50	DCBA	
COC1(C)CN(c2cc(S(N)(=O)=O)ccc2[N+](=O)[O-])C1	585092819	PEDTZXHHWKULDP-UHFFFAOYSA-N	301.324	0.467	5	50	DCBA	
COc1cccc(CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1	386878170	DZJJIJSVMYHWMM-ZDUSSCGKSA-N	306.322	0.951	5	50	DCBA	
CN(C[C@@H](O)CN1CCOCC1)c1ccnc(F)c1[N+](=O)[O-]	585118087	AWGHOZXURRYGHY-SNVBAGLBSA-N	314.317	0.258	5	50	DCBA	
O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)[C@H]1CC[C@H]2O1	244701124	KAPGALZAWHWYEG-DDHJBXDOSA-N	304.258	0.967	5	50	DCBA	
Cc1nn(C)c(C(=O)N2Cc3ccccc3C(=O)N2)c1[N+](=O)[O-]	213986	IVROFGDJYJAREH-UHFFFAOYSA-N	315.289	0.938	5	50	DCBA	
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)n1	408370448	LBPDPZUKDHFJFQ-IUCAKERBSA-N	314.367	0.793	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1	4108788	HNQPQTCMSFBZBG-QMMMGPOBSA-N	320.348	0.060	5	50	DCBA	
CS(=O)(=O)c1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1	44199102	POVXPGPAWCAGJE-UHFFFAOYSA-N	303.248	0.251	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](CO)C2)cc1	5579456	AEXHJXFPCFAIKK-JTQLQIEISA-N	300.336	0.988	5	50	DCBA	
CN1CCN(c2cc(N3CCNCC3)ccc2[N+](=O)[O-])CC1	4123208	GRPWIUUZNMITRR-UHFFFAOYSA-N	305.382	0.756	5	50	DCBA	
COC1(c2cnnn2C)CN(c2cc(C)c([N+](=O)[O-])cn2)C1	952992569	OODOITLPKBDNLR-UHFFFAOYSA-N	304.310	0.789	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2n[nH]c3c2CNC3)cc1	725374678	MYBVEWIVTUPXAM-UHFFFAOYSA-N	309.307	0.722	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1n[nH]c2c1CNC2	725372871	AJGVRSXBAIXQBD-UHFFFAOYSA-N	309.307	0.722	5	50	DCBA	
CC1(C)NC(=O)N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O	202611	QLBDDCMDYBXEAO-SECBINFHSA-N	323.305	0.665	5	50	DCBA	
Cn1cc(Br)c(C(=O)Nn2cc([N+](=O)[O-])cn2)n1	6828110	UICHGLVYCRFKAP-UHFFFAOYSA-N	315.087	0.671	5	50	DCBA	
CC(C)[C@H](Nc1cc(NN)c([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=O	585091404	APSZVBNIFKFUQI-JTQLQIEISA-N	312.286	0.710	5	50	DCBA	
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC(=O)NCCO	276361164	APPBZZDFBPEYSF-UHFFFAOYSA-N	310.310	0.442	5	50	DCBA	
COC(=O)c1nnn2c1Sc1ccc([N+](=O)[O-])cc1[C@H]2O	2049513503	OKCJAKSXEGUSEO-SECBINFHSA-N	308.275	0.977	5	50	DCBA	
COCc1nn(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)o1	170600476	DGIWSYUBBTUABS-UHFFFAOYSA-N	305.250	0.816	5	50	DCBA	
C[C@]1(CCC(=O)OCC[N+](C)(C)C)OC[C@H](C[N+](C)(C)C)O1	2006826	FFMKFYHJXGYMJN-HOCLYGCPSA-N	318.458	0.854	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCO[C@H]1CCCCO1	408515618	IQUFWHUDXAPKFG-ZDUSSCGKSA-N	312.326	0.841	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC3(CC2)CNC3)cc1	725375243	SUVUMEKWFDLZCT-UHFFFAOYSA-N	311.363	0.969	5	50	DCBA	
O=C(O)/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	3879432	QGJAIBYJUQYWHX-AATRIKPKSA-N	305.290	0.884	5	50	DCBA	
NC(=O)c1cc([N+](=O)[O-])ccc1NCCCN1CCOCC1	19905188	SQFWZAQQZQFRIR-UHFFFAOYSA-N	308.338	0.828	5	50	DCBA	
O=C(O)[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1782152	NBPIPGHKYHUOGV-SNVBAGLBSA-N	300.292	0.833	5	50	DCBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2CCCC[C@@H]2C1	408027321	MWDPWCRVPDYJCH-GFCCVEGCSA-N	320.349	0.453	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@@H]4O)cc1	249549460	KTCBXXFWPAHEHJ-OOUKEXCNSA-N	324.358	0.985	5	50	DCBA	
NC(=O)[C@H]1CN(c2ccnc3c([N+](=O)[O-])cccc23)CCO1	432333034	FKQYIXRPMRMPCJ-GFCCVEGCSA-N	302.290	0.834	5	50	DCBA	
COc1cc(F)c([N+](=O)[O-])c(NC[C@H]2CC(C(N)=O)=NO2)c1	170603376	FCXCOJAAFVYEPM-SSDOTTSWSA-N	312.257	0.785	5	50	DCBA	
O=C1C[C@@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CN1	279355146	CHOAUYVPXZIMEY-AWEZNQCLSA-N	305.290	0.653	5	50	DCBA	
COc1ccc([N+](=O)[O-])c2c1CCN2C(=O)CC[C@H](N)C(=O)O	3995933	GXIDBZKXGUNITQ-VIFPVBQESA-N	323.305	0.685	5	50	DCBA	in-vitro
CN1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	575788618	RCBNAKKCXPUITB-STQMWFEESA-N	323.353	0.113	5	50	DCBA	
NCCOCCOCCOCCOc1ccc([N+](=O)[O-])cc1	575447362	OHCVYJCLAQBYKN-UHFFFAOYSA-N	314.338	0.982	5	50	DCBA	
N[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21	230141912	BHIJHWKKUURTBD-OASPWFOLSA-N	311.363	0.953	5	50	DCBA	
C[N+](C)(C)CC(C[N+](C)(C)C)(C[N+](C)(C)C)C[N+](C)(C)C	4765123	QZAPPPONFBHEFB-UHFFFAOYSA-N	304.567	0.798	5	50	DCBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1N=CC[C@]1(O)C(F)(F)F	6787363	YSOUCBCWBYZOIP-VIFPVBQESA-N	321.215	0.569	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](Oc2cccnc2)C1	178305990	RFIWCICBLBVUIV-ZDUSSCGKSA-N	317.305	0.866	5	50	DCBA	
C[C@@H]1CC[C@@H](C(N)=O)CN1c1ccc2ncc([N+](=O)[O-])n2n1	170604127	FJPPNXVXVAKYAQ-RKDXNWHRSA-N	304.310	0.728	5	50	DCBA	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	477007	YCCDHGXRDGGQAW-UHFFFAOYSA-N	302.308	0.842	5	50	DCBA	
O=[N+]([O-])c1cc2c(cc1CN1CCN(CCO)CC1)OCO2	4947997	RWQTZNYXIGKUOS-UHFFFAOYSA-N	309.322	0.433	5	50	DCBA	
Cn1ccnc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1=O	170051986	ULYQORVMMOUWDV-SNVBAGLBSA-N	316.321	0.774	5	50	DCBA	
CC1=C(C(N)=O)[C@@H](c2ccccc2[N+](=O)[O-])N2NC=NC2=N1	13125246	DGNKIRJCHUBLQD-LLVKDONJSA-N	300.278	0.613	5	50	DCBA	
C[C@@H]1CC[C@H](C(N)=O)CN1c1ccc2ncc([N+](=O)[O-])n2n1	170604125	FJPPNXVXVAKYAQ-BDAKNGLRSA-N	304.310	0.728	5	50	DCBA	
CS(=O)(=O)c1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1	19324697	HJCXYENNHVEIBV-UHFFFAOYSA-N	309.415	0.099	5	50	DCBA	
N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]12	225350087	BHIJHWKKUURTBD-TVYUQYBPSA-N	311.363	0.953	5	50	DCBA	
O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]13)O2	217348827	OABSTQQVOABLJC-FJJYHAOUSA-N	316.269	0.966	5	50	DCBA	
NC(=O)N[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	273169623	OQWMEJNEAORDID-GHMZBOCLSA-N	324.337	0.077	5	50	DCBA	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@H](CO)C1	225652703	JXNJTJMAUDVBKT-JTQLQIEISA-N	310.306	0.887	5	50	DCBA	
Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(=O)n(C)c1=O	441420	GSSXTRHPKUINJJ-UHFFFAOYSA-N	304.262	0.245	5	50	DCBA	
COc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc([N+](=O)[O-])c1	1822297	SVRRQBPZDDQRRQ-UHFFFAOYSA-N	322.237	0.742	5	50	DCBA	
C[C@@H]1C[C@@H](O)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	170606322	OIGVMXUYJDPJLS-RKDXNWHRSA-N	300.336	0.958	5	50	DCBA	
CCN1CCN(C(=O)CNc2nc(C)ccc2[N+](=O)[O-])CC1	178210331	JZRJDXWWWDBJSN-UHFFFAOYSA-N	307.354	0.874	5	50	DCBA	
C[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1O	255982050	JVQFCJCGZQPUHG-FBRIDRNKSA-N	301.320	0.514	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1	4269463	PXUGXDOXTZQEQH-QMMMGPOBSA-N	320.348	0.060	5	50	DCBA	
CCN(C[C@H](O)COc1ccc([N+](=O)[O-])cc1)S(=O)(=O)O	22205769	DSJDDSAHFBSXED-JTQLQIEISA-N	320.323	0.459	5	50	DCBA	
Cc1nn(C)c(C(=O)Nc2ccc(C(N)=O)cc2)c1[N+](=O)[O-]	2761896	KPSPPGAOUPZKOW-UHFFFAOYSA-N	303.278	0.988	5	50	DCBA	
CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1	71182	WYNJLIWKHKYLHA-LLVKDONJSA-N	300.278	0.613	5	50	DCBA	
COC(=O)[C@@]1(C)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	412900877	FHLPCJGWNYSSTE-ZDUSSCGKSA-N	310.310	0.593	5	50	DCBA	
O=C(CSc1n[nH]c(=O)[nH]c1=O)c1ccc([N+](=O)[O-])cc1	13638500	WBLOVKTWRWLBBI-UHFFFAOYSA-N	308.275	0.341	5	50	DCBA	
CCOC(=O)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O	2872663	OGQLXSWYHUNRCX-UHFFFAOYSA-N	320.257	0.994	5	50	DCBA	
CON(C)C1CN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1	1213856890	NQCLXQHBOYMXSE-UHFFFAOYSA-N	315.351	0.769	5	50	DCBA	
O=C1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]2CCCCN12	374581364	ARPLHFFFNVDAIM-NXEZZACHSA-N	316.321	1.203	5	50	DCBA	
C[C@H]1CN2CCC[C@H]2CN1C(=O)CCn1cc([N+](=O)[O-])cn1	239539278	AWBRKPZLEWYTQI-RYUDHWBXSA-N	307.354	0.877	5	50	DCBA	
CN1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	575788615	RCBNAKKCXPUITB-CHWSQXEVSA-N	323.353	0.113	5	50	DCBA	
O=C(CN1C(=O)[C@@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1	3905276	XCSINMXQRQHQJH-NSHDSACASA-N	318.289	0.960	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC(C(F)(F)F)=NO1	585088122	KZGGCZXWUXUHPX-ZETCQYMHSA-N	321.215	0.615	5	50	DCBA	
O=C(O)CN(CC(=O)O)C(=O)OCc1ccc([N+](=O)[O-])cc1	4477781	CHOQRZNVBAGERF-UHFFFAOYSA-N	312.234	0.703	5	50	DCBA	
C[C@@H](O)CN=c1c(I)c[nH]cc1[N+](=O)[O-]	418817323	ZXNDSYXVGLJWGY-RXMQYKEDSA-N	323.090	0.809	5	50	DCBA	
C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1Br)C(=O)O	263569204	ZDCPAXNSOSBCCO-SECBINFHSA-N	320.099	1.000	5	50	DCBA	
Cc1ccnc(N2CCN3CCOC[C@]3(CO)C2)c1[N+](=O)[O-]	952877090	LNLFLNOXEMOAAB-CQSZACIVSA-N	308.338	0.182	5	50	DCBA	
Cn1c(=O)c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(O)c2n(C)c1=O	457244	NEECZRPMSGXZKL-UHFFFAOYSA-N	316.273	0.846	5	50	DCBA	
C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	371344522	NJQHMXNWVLUASN-BBBLOLIVSA-N	316.321	1.059	5	50	DCBA	
Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCCC3)cc21	4865738	OAWXXRCILTULBF-UHFFFAOYSA-N	304.306	0.746	5	50	DCBA	
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCCCO	4813517	RFVAMDACFNPPTI-UHFFFAOYSA-N	313.701	0.862	5	50	DCBA	
O=C1CN(C(=O)Cn2nccc2[N+](=O)[O-])c2ccccc2N1	253416253	JSQNCXLVTLZASX-UHFFFAOYSA-N	301.262	0.777	5	50	DCBA	
O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](CCO)c2ccco2)c1	185091088	CIIGJVOKEJWKTC-NWDGAFQWSA-N	310.310	0.459	5	50	DCBA	
Cc1nn2c(=O)/c(=C\c3ccccc3[N+](=O)[O-])sc2nc1=O	5530427	CQDFGYNFCRBNFJ-UXBLZVDNSA-N	316.298	0.276	5	50	DCBA	
COC(=O)C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N	377174562	GQKBFPFAIFHDAN-JTQLQIEISA-N	323.305	0.581	5	50	DCBA	
CN(CCOCCN)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	599111755	SFQWBOLOZSEEDG-UHFFFAOYSA-N	303.340	0.191	5	50	DCBA	
CS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1	334160591	IFISFEBBODJTDT-UHFFFAOYSA-N	301.324	0.803	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1	3101584	HNQPQTCMSFBZBG-MRVPVSSYSA-N	320.348	0.060	5	50	DCBA	
C[C@@H]1C[C@H](O)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	170606319	OIGVMXUYJDPJLS-BDAKNGLRSA-N	300.336	0.958	5	50	DCBA	
CC1=NN(C(=O)CCn2cnc([N+](=O)[O-])n2)[C@](O)(C(F)F)C1	6394572	PLQUTQHJUSWHGX-SNVBAGLBSA-N	318.240	0.138	5	50	DCBA	
C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	257346303	XVVUGNDGMVOWSK-XQFKGYICSA-N	301.320	0.514	5	50	DCBA	
Cn1ccnc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1=O	170051982	ULYQORVMMOUWDV-JTQLQIEISA-N	316.321	0.774	5	50	DCBA	
COc1cc(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)ccn1	585088342	XCLYZBVYQCEVLY-UHFFFAOYSA-N	305.294	0.554	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@H]4O)cc1	249549459	KTCBXXFWPAHEHJ-HWLKSRQQSA-N	324.358	0.985	5	50	DCBA	
O=C1C[C@H](N2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1	19854023	PEVRSIQPGRMSCF-LBPRGKRZSA-N	305.290	0.559	5	50	DCBA	
NC1(CO)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	725374175	JHMJYJXAKIBRDC-UHFFFAOYSA-N	315.351	0.069	5	50	DCBA	
Nc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-]	952992376	LKRNSWCGQDCAAP-WCQYABFASA-N	307.354	0.607	5	50	DCBA	
O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@H]1C=C[C@@]2(CO)O1	239338916	LKKZWDCIUPUKAE-ZAZJYDDPSA-N	316.269	0.400	5	50	DCBA	
O=C1[C@H]2[C@H]3C[C@@H]([C@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	245239806	DRDIELJJGFXSFB-DZDPUUJWSA-N	318.285	0.072	5	50	DCBA	
Cc1cccc(N(C)C[C@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-]	225505781	DBFMERHUOWXEOJ-AWEZNQCLSA-N	322.409	0.948	5	50	DCBA	
CN1CCC[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	356253410	KOMCENDBQBFDQP-CQSZACIVSA-N	307.354	0.736	5	50	DCBA	
O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](CCO)c2ccco2)c1	185091115	CIIGJVOKEJWKTC-VXGBXAGGSA-N	310.310	0.459	5	50	DCBA	
CN1CC[C@@]2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	408523125	PCXYKJOVBCJJSA-AWEZNQCLSA-N	307.354	0.736	5	50	DCBA	
Cc1nn(CCC(=O)N2CCN3CCC[C@@H]3C2)cc1[N+](=O)[O-]	2777816	ZYWBUIPAXPQFOV-GFCCVEGCSA-N	307.354	0.796	5	50	DCBA	
C[C@H]1CN(CCO)CCN1CCOc1ccc([N+](=O)[O-])cc1	452112057	DYJLUNKVDCWVHT-ZDUSSCGKSA-N	309.366	0.972	5	50	DCBA	
COC(=O)c1cc(C(=O)N2CCN(C)CC2)cc([N+](=O)[O-])c1	20149799	WAFVDTBHORAOJO-UHFFFAOYSA-N	307.306	0.769	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](Oc2cccnc2)C1	178305977	RFIWCICBLBVUIV-CYBMUJFWSA-N	317.305	0.866	5	50	DCBA	
CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1055436	RFJKIOSOAOJVKO-UHFFFAOYSA-N	313.335	0.448	5	50	DCBA	
COC(=O)CNC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	2865633	YOFJBZKXHCIJRG-UHFFFAOYSA-N	311.319	0.681	5	50	DCBA	
O=[N+]([O-])c1ccc([C@@H](O)CNCCCN2CCOCC2)cc1	4992050	VZUQUMDNLRNNDP-HNNXBMFYSA-N	309.366	0.940	5	50	DCBA	
O=[N+]([O-])C1([N+](=O)[O-])CCCc2c1nn(-c1ccccc1)[n+]2[O-]	19321371	QGNUYRVLIRBZSP-UHFFFAOYSA-N	305.250	0.548	5	50	DCBA	
CN1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cc([N+](=O)[O-])cn1	575788616	RCBNAKKCXPUITB-OLZOCXBDSA-N	323.353	0.113	5	50	DCBA	
CCCCNc1c([N+](=O)[O-])c(N)nc2c1c(=O)n(C)c(=O)n2C	22023390	PYEDRYLOGIMRJO-UHFFFAOYSA-N	322.325	0.335	5	50	DCBA	
CN1CC[C@]2(CCCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	408523126	PCXYKJOVBCJJSA-CQSZACIVSA-N	307.354	0.736	5	50	DCBA	
COCCN1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1=O	193525480	LGUIVZADRUAREU-UHFFFAOYSA-N	308.338	0.862	5	50	DCBA	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@@H](C)O	245242154	DLNWZIVYKQXLTN-GADBESIXSA-N	301.383	0.794	5	50	DCBA	biogenic
C[C@H](O)C(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	270924366	VSEHMAFUCFHLJK-LBPRGKRZSA-N	307.350	0.662	5	50	DCBA	
C[C@@H](O)CN(CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-]	298509297	KNRSOHYMEWYXAX-LLVKDONJSA-N	311.338	0.599	5	50	DCBA	
CC1=NN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@](O)(C(F)(F)F)C1	1012176	CKBFQIWITZJUFB-SECBINFHSA-N	321.215	0.650	5	50	DCBA	
O=C(NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccnc1	321166	WLSHGZUUKGZHHV-UHFFFAOYSA-N	312.241	0.931	5	50	DCBA	
COC(=O)c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	4745699	IYWVADRERRHGBD-UHFFFAOYSA-N	318.289	0.894	5	50	DCBA	
COc1cc(C(=O)N2CCN(C)CC2)c([N+](=O)[O-])cc1OC	102318	WAEUVRZMRAKEHL-UHFFFAOYSA-N	309.322	1.000	5	50	DCBA	
COC(=O)c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1	4753337	CKDWJODLGJOXLU-UHFFFAOYSA-N	318.289	0.894	5	50	DCBA	
Cc1nn(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1[N+](=O)[O-]	13959860	VSSAJRPWNQDNDW-UHFFFAOYSA-N	323.269	0.469	5	50	DCBA	
CON[N+](=O)N(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	334163107	LRROIYLECUZWAO-UHFFFAOYSA-N	305.292	0.284	5	50	DCBA	
Nc1nc(O)cc([C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)n1	585117915	BKDQLRHRGWGIGH-MRVPVSSYSA-N	302.294	1.062	5	50	DCBA	
CC(=O)O[C@@H]1CC[C@H]([N+](C)(C)C)[C@@H](OC(C)=O)[C@H]1[N+](C)(C)C	252430924	TVFVTFAELUPCTQ-XUWVNRHRSA-N	316.442	0.793	5	50	DCBA	
C[C@]1(CCC(=O)OCC[N+](C)(C)C)OC[C@@H](C[N+](C)(C)C)O1	2006823	FFMKFYHJXGYMJN-ZBFHGGJFSA-N	318.458	0.854	5	50	DCBA	
CC(C)N1C(=O)C[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1=O	267272649	SUQRHRGFZFEMCN-SNVBAGLBSA-N	320.305	0.443	5	50	DCBA	
CS(=O)(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	120166	HCJDOWMWZZPTDL-UHFFFAOYSA-N	313.335	0.312	5	50	DCBA	
CS(=O)(=O)CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	585119595	MQRVOPIYMURSJB-UHFFFAOYSA-N	305.287	0.900	5	50	DCBA	
O=C(NC[C@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1	20232441	ZUWYGHLCRAXRNF-ZDUSSCGKSA-N	309.322	0.018	5	50	DCBA	
Cc1c([N+](=O)[O-])c(C(=O)N=c2[nH]nc(C3CC3)n2C)nn1C	1875267928	BPPPSPVIHGJKSH-UHFFFAOYSA-N	305.298	0.317	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3NCCC[C@@H]3C2)cc1	221785315	VCYQYGBSZGAZPV-ZWNOBZJWSA-N	311.363	0.967	5	50	DCBA	
CC(C)OC(=O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	2025397	LLVZRTYUQFPWEZ-UHFFFAOYSA-N	302.308	0.825	5	50	DCBA	
Cc1cc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc([N+](=O)[O-])c1	173083235	ANWKVHPTUHYHBL-UHFFFAOYSA-N	318.289	0.553	5	50	DCBA	
C[N@+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	252441503	ZCLCRBMIHQMBMN-IHXXTUNLSA-N	302.350	0.893	5	50	DCBA	biogenic
O=[N+]([O-])c1ccc(N2CC(O)(c3cc[nH]n3)C2)c([N+](=O)[O-])c1	1775987095	GKZHIRJPMHKJIH-UHFFFAOYSA-N	305.250	0.934	5	50	DCBA	
CC(C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	4873169	KSQQXMYWBLILLX-UHFFFAOYSA-N	315.351	0.885	5	50	DCBA	
C[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@H]1O	255982052	JVQFCJCGZQPUHG-ZXEZZVQBSA-N	301.320	0.514	5	50	DCBA	
CCC(=O)/N=c1\sc([N+](=O)[O-])cn1CC(=O)N1CCCC1	71767325	PCISWTUUTOCTTD-SEYXRHQNSA-N	312.351	0.918	5	50	DCBA	
O=C(Nc1ccccc1)OC[C@@H]1C[N+]23CCO[B-]2(OCC3)O1	195812462	PUZNDRLDBOYGOM-KTAKPFMOSA-N	306.127	0.947	5	50	DCBA	
CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=S)N=C2O	8739894	SWWYOTWIUHOSOC-UHFFFAOYSA-N	320.330	0.945	5	50	DCBA	
O=C(O)/C=C\C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	32691031	QGJAIBYJUQYWHX-WAYWQWQTSA-N	305.290	0.884	5	50	DCBA	
O=C(CN1CCOCC1)NCCCNc1ccc([N+](=O)[O-])cc1	19958469	CNCJUVHAWLNQKJ-UHFFFAOYSA-N	322.365	0.845	5	50	DCBA	
COC(=O)c1cnc(N(C)CCN(C)CCO)c([N+](=O)[O-])c1	857760904	VVDDOHHMMMMRAU-UHFFFAOYSA-N	312.326	0.137	5	50	DCBA	
Cn1cc(N2C[C@@H](Nc3ccc([N+](=O)[O-])cn3)CC2=O)cn1	1615586970	HDLZEHUPKFMKAW-VIFPVBQESA-N	302.294	0.941	5	50	DCBA	
Cn1ncc2c1ncn1nc(CCn3ccc([N+](=O)[O-])n3)nc21	2803065	JXJFJFIIAFQQOF-UHFFFAOYSA-N	313.281	0.358	5	50	DCBA	
O=[N+]([O-])c1c(NCCO)cc(N2CCOCC2)c2nonc12	4179518	SNSZHMDTSDFFOW-UHFFFAOYSA-N	309.282	0.372	5	50	DCBA	
O=C(O)c1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n[nH]1	5345161	GGSKSLIUFNRGIU-UHFFFAOYSA-N	313.251	0.212	5	50	DCBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1	19810834	WTNKNFIAABREKY-UHFFFAOYSA-N	307.350	0.976	5	50	DCBA	
COC(=O)c1ccc([N+](=O)[O-])c(N2CC(N[C@@H]3CCOC3)C2)n1	952877572	SCGHHYCPPKOXBA-SECBINFHSA-N	322.321	0.344	5	50	DCBA	
CC1=NN(C(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)[C@@](O)(C(F)F)C1	6395247	JBDDZNPNDXNKDZ-HQJQHLMTSA-N	317.252	0.914	5	50	DCBA	
O=[N+]([O-])c1cncc(Br)c1N1C[C@H](O)[C@@H](O)C1	236605544	QEVIRWNLRCHBND-YUMQZZPRSA-N	304.100	0.294	5	50	DCBA	
Cc1nn(C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c(C)c1[N+](=O)[O-]	229647422	OZCDPGUILVXMLZ-OUJBWJOFSA-N	312.370	0.878	5	50	DCBA	
CNC(=O)CN1CCCN(c2nccc(C)c2[N+](=O)[O-])CC1	365890565	IVFHTDWQFJLJHJ-UHFFFAOYSA-N	307.354	0.556	5	50	DCBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@]1(C(N)=O)CCOC1	584728665	SJXRJLWKNIPMJB-CQSZACIVSA-N	322.321	0.076	5	50	DCBA	
Cc1ccc(OC[C@@H](O)CN(C)S(=O)(=O)O)c([N+](=O)[O-])c1	2897388	RBCHDHAUMJOLCS-VIFPVBQESA-N	320.323	0.378	5	50	DCBA	
C/C=C/C[C@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	596195631	GVYQXNHQSUJKFB-VMZHVLLKSA-N	315.351	0.981	5	50	DCBA	
CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)c(C(N)=O)n1	2780749	IGRRKMHJGYVZSH-UHFFFAOYSA-N	321.297	0.054	5	50	DCBA	
Cc1cc(OCC(=O)NN2CCN(C)CC2)ccc1[N+](=O)[O-]	4750017	SGPSICWKPLWBAJ-UHFFFAOYSA-N	308.338	0.561	5	50	DCBA	
O=C(NN1CCOCC1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2774783	SEKBYLGRIPHDPZ-UHFFFAOYSA-N	321.293	0.410	5	50	DCBA	
C[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H](O)[C@@H]1O	255982051	JVQFCJCGZQPUHG-MWAPLWLCSA-N	301.320	0.514	5	50	DCBA	
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	1616034600	PSLWQUNYISEAOW-ZWNOBZJWSA-N	307.354	0.729	5	50	DCBA	
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOCC1	4187955	DHWMHBVFMVLDNF-UHFFFAOYSA-N	321.333	0.904	5	50	DCBA	
Cc1nc(N2CCN3CCOC[C@]3(CO)C2)ccc1[N+](=O)[O-]	952994135	VIHXJDFIHCGUEV-CQSZACIVSA-N	308.338	0.182	5	50	DCBA	
O=[N+]([O-])c1cc(S(=O)(=O)NCC2=NOCC2)ccc1O	1775991075	OPMPPEFQVNOCGG-UHFFFAOYSA-N	301.280	0.355	5	50	DCBA	
C[C@@H]1O[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	244724715	MZGWUMLEARWVSJ-RYIKZVKKSA-N	318.713	0.488	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1n[nH]c2c1CCCC2	585087570	LUABFLXLTYSLBF-UHFFFAOYSA-N	304.310	0.710	5	50	DCBA	
CC1=C(C(N)=O)[C@H](c2cccc([N+](=O)[O-])c2)N2NC=NC2=N1	71178	FDSLHFPQUWAZTQ-NSHDSACASA-N	300.278	0.613	5	50	DCBA	
COc1cc([N+](=O)[O-])cc2c1CN([C@H]1CCC(=O)NC1=O)C2=O	1875325434	XRVYZTIODJZAEZ-JTQLQIEISA-N	319.273	0.364	5	50	DCBA	
Cc1ccc(C(=O)COC(=O)c2nonc2N)cc1[N+](=O)[O-]	2474866	QOQKNPGTPCUZHW-UHFFFAOYSA-N	306.234	0.908	5	50	DCBA	
NC(=O)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1	621233	CJPAHFYOIVGGOA-UHFFFAOYSA-N	307.306	0.698	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](CO)C2)cc1	5579462	AEXHJXFPCFAIKK-SNVBAGLBSA-N	300.336	0.988	5	50	DCBA	
O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1CCOCC1	32659	QSPVUHDXFDQXOD-UHFFFAOYSA-N	318.289	0.164	5	50	DCBA	
C[N@+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	242495923	GSYQNAMOFFWAPF-MIJZHBPMSA-N	319.357	0.931	5	50	DCBA	biogenic
Nc1nonc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4499323	OXYNDQGVKMEFCD-UHFFFAOYSA-N	318.293	0.522	5	50	DCBA	
Cn1c(=O)c2cc(N)c(-c3ccc([N+](=O)[O-])o3)nc2n(C)c1=O	2546674	IYLSBULLJMJXEN-UHFFFAOYSA-N	317.261	0.383	5	50	DCBA	
O=C(CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1[N+](=O)[O-]	13638554	DRLUAKPOIOIBJE-UHFFFAOYSA-N	308.275	0.341	5	50	DCBA	
O=C1CC[C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@H](C2CC2)N1	367460292	ZOVWOJCTULXCPJ-DOMZBBRYSA-N	320.349	0.403	5	50	DCBA	
COC(=O)[C@@H]1CN(C)[C@@]2(C1)C(=O)Nc1ccc([N+](=O)[O-])cc12	14944582	VNLBTYAGIUJLSH-RMLUDKJBSA-N	305.290	0.867	5	50	DCBA	
CN1C=C(C(=O)NCCC[N+]2(C)CCOCC2)C=C/C1=C\N=O	137049914	VRWYMKDCOPMPCD-NTCAYCPXSA-O	321.401	0.963	5	50	DCBA	
CNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	582000	CMPASEJYDVYWMM-UHFFFAOYSA-N	317.323	0.115	5	50	DCBA	
COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(OC)c1	197065	GOEOYWMURBJLGM-UHFFFAOYSA-N	307.266	0.842	5	50	DCBA	
C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCCO1	171047764	OAZXQBKIMKNVLA-VIFPVBQESA-N	315.351	0.857	5	50	DCBA	
CNC(=O)OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	22203861	SDKCEUWFEUWZQY-UHFFFAOYSA-N	303.296	0.229	5	50	DCBA	
Cc1nn2c(=O)/c(=C/c3ccccc3[N+](=O)[O-])sc2nc1=O	199706	CQDFGYNFCRBNFJ-POHAHGRESA-N	316.298	0.276	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1[C@@H]2COCOC[C@@H]21	526056112	XFJVZIMWEOCBQA-DHHPTOIESA-N	300.292	0.341	5	50	DCBA	
CCC1(O)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1	170603329	BCBYRQBWCBTVJS-UHFFFAOYSA-N	301.324	0.203	5	50	DCBA	
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1N1CCOCC1	1616034596	PSLWQUNYISEAOW-GXFFZTMASA-N	307.354	0.729	5	50	DCBA	
Cc1cc([N+](=O)[O-])c(N2CCN(S(C)(=O)=O)CC2)cc1N	4978137	DHOITVBPKXLHSV-UHFFFAOYSA-N	314.367	0.567	5	50	DCBA	
O=[N+]([O-])c1c(N(CCO)CCO)cc(Cl)c2nonc12	4131711	NIJPNSAFEGFMQP-UHFFFAOYSA-N	302.674	0.575	5	50	DCBA	
COc1ncccc1CNC[C@@H](O)Cn1cc([N+](=O)[O-])cn1	314493734	RWFCDLLDOXEJDT-GFCCVEGCSA-N	307.310	0.346	5	50	DCBA	
O=C(Cn1nccc1[N+](=O)[O-])NC(=O)NCc1cccs1	341029784	FQMHEBBNMRBHGB-UHFFFAOYSA-N	309.307	0.879	5	50	DCBA	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCc1nnc[nH]1	151910385	KHFIMWSTTDRGHB-UHFFFAOYSA-N	315.286	0.373	5	50	DCBA	
O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	169616404	RAYRYKXJKVRUSN-FJJYHAOUSA-N	316.269	0.400	5	50	DCBA	
O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](O)c1cnc[nH]1	952881282	GEQVSWIMKOCMCA-CYBMUJFWSA-N	319.321	0.970	5	50	DCBA	
CC(C)[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	123568	PRAFGBKLVVVLSD-SNVBAGLBSA-N	302.308	0.982	5	50	DCBA	
COCCN1CN(c2ncc([N+](=O)[O-])cc2Cl)CC1=O	253397955	HJXFNLRCKPWACC-UHFFFAOYSA-N	300.702	0.896	5	50	DCBA	
O=[N+]([O-])c1cnn(CCNc2nnnn2-c2ccccc2)c1	301722139	NJUIWWZJDGVNNZ-UHFFFAOYSA-N	300.282	0.879	5	50	DCBA	
NC(=O)C1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1	4833993	MVMIUNOGXSIZAC-UHFFFAOYSA-N	306.322	0.731	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC(C(F)(F)F)=NO1	585088121	KZGGCZXWUXUHPX-SSDOTTSWSA-N	321.215	0.615	5	50	DCBA	
O=C1C[C@]2(CCN(C(=O)c3cc(O)cc([N+](=O)[O-])c3)C2)CN1	279355148	CHOAUYVPXZIMEY-CQSZACIVSA-N	305.290	0.653	5	50	DCBA	
O=C(O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C[C@@]23C=C[C@H]1O3	138706868	HGPZOPYXWPAUKK-BLTAXRJOSA-N	316.269	0.966	5	50	DCBA	
N[C@]1(CO)CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	725372945	DGLRSWRIPDCJHW-GFCCVEGCSA-N	315.351	0.069	5	50	DCBA	
Cc1nn(Cc2nc3c4cnn(C)c4ncn3n2)cc1[N+](=O)[O-]	2802907	MNMNIWPCOIGWSF-UHFFFAOYSA-N	313.281	0.472	5	50	DCBA	
COC(=O)CS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	78128	WQAHKEVAVXCWDS-UHFFFAOYSA-N	317.275	0.328	5	50	DCBA	
C[C@@H]1O[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	244724713	MZGWUMLEARWVSJ-ALROSTPSSA-N	318.713	0.488	5	50	DCBA	
COC(=O)[C@@H](CC(C)C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	347124072	IPJOFGTXRSAJIN-LLVKDONJSA-N	312.326	0.837	5	50	DCBA	
O=C(CN1C(=O)[C@H]2CCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1	3905277	XCSINMXQRQHQJH-LLVKDONJSA-N	318.289	0.960	5	50	DCBA	
CC(C)(C)C(=O)/N=c1\sc([N+](=O)[O-])cn1CCC(N)=O	71771695	YGOYCMYIDLLVQH-RAXLEYEMSA-N	300.340	0.807	5	50	DCBA	
C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)[C@H](O)[C@H]1O	257346302	XVVUGNDGMVOWSK-UOAXWKJLSA-N	301.320	0.514	5	50	DCBA	
CN1CCN(C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	20064278	ORQPIGKOFBXEBC-UHFFFAOYSA-N	308.363	0.857	5	50	DCBA	
C[C@@H]1CN2CCC[C@H]2CN1C(=O)CCn1cc([N+](=O)[O-])cn1	239539277	AWBRKPZLEWYTQI-NEPJUHHUSA-N	307.354	0.877	5	50	DCBA	
O=C(Cn1ccc([N+](=O)[O-])n1)N1N=CC[C@]1(O)C(F)(F)F	6829974	JBMDTEGUJBZUPD-QMMMGPOBSA-N	307.188	0.260	5	50	DCBA	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1	240912257	IWWVQVGJSHQBEW-UPJWGTAASA-N	324.358	0.650	5	50	DCBA	
O=C(c1ccc(N2CCNCC2)c([N+](=O)[O-])c1)N1CCOCC1	4687594	PLQKRKODRQRDGR-UHFFFAOYSA-N	320.349	0.477	5	50	DCBA	
Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1ccc(F)cc1	1060852	UUGLFIULZADCDX-UHFFFAOYSA-N	322.285	0.989	5	50	DCBA	
Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCN(C)CC1	19288292	DWNQEAXSLZMILH-UHFFFAOYSA-N	301.734	0.527	5	50	DCBA	
Cc1cc(C(=O)NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]n1	22018748	DJBSMBZXJHGPJY-UHFFFAOYSA-N	317.261	0.521	5	50	DCBA	
O=[N+]([O-])c1ncn(S(=O)(=O)c2cccc3cccnc23)n1	156780	VFMMVUDTWOVVTC-UHFFFAOYSA-N	305.275	0.972	5	50	DCBA	
COC(=O)c1ccc([N+](=O)[O-])c(NCCN=S(C)(C)=O)n1	952874854	NHQAHKGDLTWNSG-UHFFFAOYSA-N	316.339	0.916	5	50	DCBA	
Cn1ncc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Cl)c1C(=O)O	8782584	BDPDXIOLGPJJIS-UHFFFAOYSA-N	314.645	0.655	5	50	DCBA	
Nc1ccc(C(=O)NC[C@@H]2CCCS2(=O)=O)cc1[N+](=O)[O-]	127054917	WOKREBPRAILURW-VIFPVBQESA-N	313.335	0.484	5	50	DCBA	
N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]12	230141917	BHIJHWKKUURTBD-ZWKOPEQDSA-N	311.363	0.953	5	50	DCBA	
CCCn1c(=N)c(C(=O)NC)cc2c(=O)n3ccccc3nc21	100662580	XOUSTQKYNPIDRM-UHFFFAOYSA-N	311.345	0.898	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCN1CCOCC1	19907536	OWEVQADDNQJNRC-UHFFFAOYSA-N	315.351	0.205	5	50	DCBA	
COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc([N+](=O)[O-])cc1	167555	DJKLZHLJXAPGNK-UHFFFAOYSA-N	320.261	0.678	5	50	DCBA	
COCCn1ccc2nc3ccn(CCO)c(=O)c3cc2c1=O	38828974	BHKSAKXSYIXOEB-UHFFFAOYSA-N	315.329	0.350	5	50	DCBA	biogenic
CC1=C(C(N)=O)[C@@H](c2ccccc2[N+](=O)[O-])N2NN=NC2=N1	71475	KRGUSLKZPZOEEC-SNVBAGLBSA-N	301.266	0.952	5	50	DCBA	
Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)O)cc1Cl	5679300	IJAXNPPTOHPORO-UHFFFAOYSA-N	308.699	0.920	5	50	DCBA	
O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	245255283	GZQMGFUZNAZADQ-XWLWVQCSSA-N	304.686	0.099	5	50	DCBA	
CCn1nc(C)c([N+](=O)[O-])c1N1CCc2nn(C)c(=O)cc2C1	192637053	JWCXDBUGXLFOOH-UHFFFAOYSA-N	318.337	0.776	5	50	DCBA	
O=C(O)c1nonc1NCn1nnc2cc([N+](=O)[O-])ccc21	22064716	NYEFPWXDNPGALV-UHFFFAOYSA-N	305.210	0.490	5	50	DCBA	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@@+]2([O-])CCC[C@@H]12)[C@H](C)O	245242155	DLNWZIVYKQXLTN-RDUHTLEXSA-N	301.383	0.794	5	50	DCBA	biogenic
C[N@+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@H]32	252441504	ZCLCRBMIHQMBMN-IXJQEDDXSA-N	302.350	0.893	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@H]2NCCC[C@@H]2C1	221791799	WWUNEWVADWYIKB-GHMZBOCLSA-N	311.363	0.967	5	50	DCBA	
O=C1C[C@@H](N2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1	4602127	PEVRSIQPGRMSCF-GFCCVEGCSA-N	305.290	0.559	5	50	DCBA	
Cc1ncc(-n2cc([N+](=O)[O-])cn2)cc1C(=O)N1CCOCC1	4821168	NVAMOYZCJCIPMM-UHFFFAOYSA-N	317.305	0.956	5	50	DCBA	
COc1cc([N+](=O)[O-])cc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O	1875325435	XRVYZTIODJZAEZ-SNVBAGLBSA-N	319.273	0.364	5	50	DCBA	
CN1C=C(C(=O)NCC[N+]2(C)CCOCC2)C=CC1=CN=O	1857524726	ZITUEDYNASUNOX-UHFFFAOYSA-O	307.374	0.573	5	50	DCBA	
O=C(OC1Cn2c(=O)ccc(=O)n2C1)c1ccc([N+](=O)[O-])cc1	860135	QLPWDVXYJIJVBX-UHFFFAOYSA-N	317.257	0.157	5	50	DCBA	
O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](CCO)c2ccco2)c1	185091098	CIIGJVOKEJWKTC-RYUDHWBXSA-N	310.310	0.459	5	50	DCBA	
CCOC(=O)c1ccnc(N(C)Cc2nc(O)n[nH]2)c1[N+](=O)[O-]	1775992290	KYHZTXNKZKDVCS-UHFFFAOYSA-N	322.281	0.627	5	50	DCBA	
CCN1CCN(C(=O)CNc2c([N+](=O)[O-])c(C)nn2CC)CC1	192562654	NNENMMXOJHCDPW-UHFFFAOYSA-N	324.385	0.696	5	50	DCBA	
C[C@@]1(CCC(=O)OCC[N+](C)(C)C)OC[C@@H](C[N+](C)(C)C)O1	2006822	FFMKFYHJXGYMJN-GDBMZVCRSA-N	318.458	0.854	5	50	DCBA	
O=C1CCCN1C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc21	170077307	IOBBAZXNXNELCN-ZDUSSCGKSA-N	305.334	0.941	5	50	DCBA	
CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1	456448503	WUPLXRQEYNMYKT-MNOVXSKESA-N	310.310	0.639	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(C)(=O)=O	3612887	VWVSDQXAMIZDFN-UHFFFAOYSA-N	304.280	0.454	5	50	DCBA	
NC(=O)[C@@H]1CN(c2ccnc3c([N+](=O)[O-])cccc23)CCO1	432333035	FKQYIXRPMRMPCJ-LBPRGKRZSA-N	302.290	0.834	5	50	DCBA	
O=[N+]([O-])c1ccc2c(c1)OCCOCCNCCOCCO2	4566426	GVHXZVKSUIMRNL-UHFFFAOYSA-N	312.322	0.989	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC2(CC1)CNC2	725372961	FBLFRWITBBRDAT-UHFFFAOYSA-N	311.363	0.969	5	50	DCBA	
O=C(O)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]13)O2	242581641	OABSTQQVOABLJC-YXMPFFBPSA-N	316.269	0.966	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@H]2[C@H]4O)cc1	249549461	KTCBXXFWPAHEHJ-PIJOPPAWSA-N	324.358	0.985	5	50	DCBA	
COC(=O)c1ccc(OC[C@@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1	169851460	UMTBRFLKBSGDRJ-OOHWJJMZSA-N	321.138	0.564	5	50	DCBA	
O=C(Cn1ccc([N+](=O)[O-])n1)N1N=CC[C@@]1(O)C(F)(F)F	6829973	JBMDTEGUJBZUPD-MRVPVSSYSA-N	307.188	0.260	5	50	DCBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c(N(CCO)CCO)c([N+](=O)[O-])c1	108641480	RUEDMAWJCGAFOL-UHFFFAOYSA-N	316.226	0.202	5	50	DCBA	
COC(=O)c1ccc([N+](=O)[O-])c(N2CC(N[C@H]3CCOC3)C2)n1	952877573	SCGHHYCPPKOXBA-VIFPVBQESA-N	322.321	0.344	5	50	DCBA	
O=C(O)CS(=O)(=O)CC(=O)Nc1ccccc1[N+](=O)[O-]	4517805	WRWLCMCKTYNNNT-UHFFFAOYSA-N	302.264	0.033	5	50	DCBA	
O=[N+]([O-])c1ccc([C@H](O)CNCCCN2CCOCC2)cc1	4992049	VZUQUMDNLRNNDP-OAHLLOKOSA-N	309.366	0.940	5	50	DCBA	
O=C(Cn1cnnn1)Nc1cc(SCCO)cc([N+](=O)[O-])c1	2112991	BKUXCXRDJYRCGD-UHFFFAOYSA-N	324.322	0.304	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1N=CC[C@@]1(O)C(F)(F)F	6828463	YPWJQLHRBZJPAG-MRVPVSSYSA-N	307.188	0.260	5	50	DCBA	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H](O)[C@H]3O)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	245239808	DRDIELJJGFXSFB-HKLHZYFVSA-N	318.285	0.072	5	50	DCBA	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nc(CO)n[nH]1	585132637	HXCGVRGXMCXCNB-UHFFFAOYSA-N	321.293	0.912	5	50	DCBA	
CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)n1	408370449	LBPDPZUKDHFJFQ-RKDXNWHRSA-N	314.367	0.793	5	50	DCBA	
O=CN1CCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)CC1	4536665	FSLPZKNKRSEQKJ-UHFFFAOYSA-N	303.274	0.980	5	50	DCBA	
C[C@@H](C(=O)N1N=CC[C@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1	6850518	HNOSDQXBWYMKGH-RCOVLWMOSA-N	321.215	0.821	5	50	DCBA	
COC(=O)CSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(N)=O	3669522	VMZGTWBHDLXVRK-UHFFFAOYSA-N	315.263	0.867	5	50	DCBA	
CNC(=O)[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CCO1	184048718	FGIIFKVEHYQDRV-ZDUSSCGKSA-N	309.322	0.420	5	50	DCBA	
C[C@H]1C[C@@H](O)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	170606325	OIGVMXUYJDPJLS-DTWKUNHWSA-N	300.336	0.958	5	50	DCBA	
COCC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12	408515452	ZQRYWVWTBPTTCR-UHFFFAOYSA-N	305.294	0.713	5	50	DCBA	
Cc1ccnc(N2CCN3CCOC[C@@]3(CO)C2)c1[N+](=O)[O-]	952877087	LNLFLNOXEMOAAB-AWEZNQCLSA-N	308.338	0.182	5	50	DCBA	
COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCO[C@@H](CO)C1	225652674	JXNJTJMAUDVBKT-SNVBAGLBSA-N	310.306	0.887	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCC1(Br)CC1	585087956	DEUMFSSJRZPTQH-UHFFFAOYSA-N	303.116	0.835	5	50	DCBA	
CCOC(=O)CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]	2834584	SPDUAQMAAVHSBE-UHFFFAOYSA-N	312.278	0.905	5	50	DCBA	
CC1=C(C(N)=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2NC=NC2=N1	71172	FDSLHFPQUWAZTQ-LLVKDONJSA-N	300.278	0.613	5	50	DCBA	
O=C1CC[C@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C2CC2)N1	367460294	ZOVWOJCTULXCPJ-SWLSCSKDSA-N	320.349	0.403	5	50	DCBA	
O=C(O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C[C@@]23C=C[C@H]1O3	100932625	HGPZOPYXWPAUKK-ZAZJYDDPSA-N	316.269	0.966	5	50	DCBA	
CS(=O)(=O)N1CCCN(c2cc(N)ccc2[N+](=O)[O-])CC1	192772145	IQKODOKIZACEPV-UHFFFAOYSA-N	314.367	0.649	5	50	DCBA	
NS(=O)(=O)c1ccc(NCC23CC(CN2)C3)c([N+](=O)[O-])c1	596026793	MHUWDGJKNVSSKY-UHFFFAOYSA-N	312.351	0.406	5	50	DCBA	
Cc1cc(N(C)Cc2nnc3n2CCNC3=O)ccc1[N+](=O)[O-]	1332374756	AEQVZKZKFFAKSW-UHFFFAOYSA-N	316.321	0.875	5	50	DCBA	
O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nc2c(s1)COCC2	171018562	ZEIVQNMDURTNGK-UHFFFAOYSA-N	309.307	0.959	5	50	DCBA	
CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CC)c1=N	100681395	MTHGHQVNLYNCTK-UHFFFAOYSA-N	311.345	0.898	5	50	DCBA	
NC(=O)C1(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CNC1	1776007677	SVKYKWDQJBUJFW-UHFFFAOYSA-N	304.228	0.853	5	50	DCBA	
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3ncccn3)CC2)n1	2750275	CZRBWBTYAGBUGW-UHFFFAOYSA-N	317.309	0.081	5	50	DCBA	
Cc1nn2c(nc1=O)SC[C@]2(O)c1ccc([N+](=O)[O-])cc1	94470	XRVNFPZPJPWUAX-LBPRGKRZSA-N	306.303	0.654	5	50	DCBA	
O=C(C[S@](=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CCCO1	585138241	XVUCEEDZLYMPOL-FIKIJFGZSA-N	312.347	0.998	5	50	DCBA	
O=C(C[S@@](=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCO1	585138243	XVUCEEDZLYMPOL-WIUDPPPLSA-N	312.347	0.998	5	50	DCBA	
NC(=O)[C@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	225662032	ROJSXAOWPJAXJT-MRVPVSSYSA-N	302.674	0.216	5	50	DCBA	
COc1ncccc1CNC[C@H](O)Cn1cc([N+](=O)[O-])cn1	314493737	RWFCDLLDOXEJDT-LBPRGKRZSA-N	307.310	0.346	5	50	DCBA	
CCn1ncc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)c1C(N)=O	2779046	KTMHNTYZCRUYIT-UHFFFAOYSA-N	321.297	0.054	5	50	DCBA	
COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1	307818	BQZJCPDSIGSGTI-LLVKDONJSA-N	321.289	0.099	5	50	DCBA	
Nn1ccc2nc3ccn(C[C@H]4CCCO4)c(=O)c3cc2c1=O	40398635	QONPHXXJTKYKMV-SNVBAGLBSA-N	312.329	0.604	5	50	DCBA	
N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)O)c1)C(=O)O	4521526	AHFFWTMLFDZSOF-QMMMGPOBSA-N	311.250	0.424	5	50	DCBA	in-vitro
Cn1ncc2c1ncn1nc(CCn3cc([N+](=O)[O-])cn3)nc21	2802896	QGHICYQUOOWQPL-UHFFFAOYSA-N	313.281	0.358	5	50	DCBA	
COC(=O)[C@H]1CN(C)[C@@]2(C1)C(=O)Nc1ccc([N+](=O)[O-])cc12	14944584	VNLBTYAGIUJLSH-XLKFXECMSA-N	305.290	0.867	5	50	DCBA	
O=C(Cc1ccccc1[N+](=O)[O-])NCCCN1CCOCC1	19877132	ALQCDKBKKNSDMG-UHFFFAOYSA-N	307.350	0.976	5	50	DCBA	
CC1(C)NC(=O)N(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)C1=O	435075	VYZYOIIHVZIASK-JTQLQIEISA-N	323.305	0.665	5	50	DCBA	
Cc1cc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])cc1C	409414041	MEJQLABEQDUQTJ-AEOCFKNESA-N	312.322	0.451	5	50	DCBA	
C[N@@+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21	242495924	GSYQNAMOFFWAPF-SXWCTKSRSA-N	319.357	0.931	5	50	DCBA	biogenic
CN(C)S(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1	4012565	PTMDIPDRGJXPLP-UHFFFAOYSA-N	313.335	0.972	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]4C[C@H]3[C@@H]2[C@@H]4O)cc1	249549462	KTCBXXFWPAHEHJ-PWHOCRISSA-N	324.358	0.985	5	50	DCBA	
C[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@H](O)[C@@H]1O	2540758	QURSGHQPKUXLAD-MOBXTKCLSA-N	319.697	0.455	5	50	DCBA	in-vitro
C[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CCO	585094501	SSTCKZSUPSTXBY-KWCYVHTRSA-N	312.370	0.635	5	50	DCBA	
CC1=C(C(N)=O)[C@@H](c2cccc([N+](=O)[O-])c2)N2NN=NC2=N1	71484	PFOVVYIVJXYHDO-SNVBAGLBSA-N	301.266	0.952	5	50	DCBA	
CC(=O)N1CSC(NC(=O)CCn2cc([N+](=O)[O-])cn2)=N1	253432318	ZCTRCMKAVUWJTD-UHFFFAOYSA-N	312.311	0.121	5	50	DCBA	
Cn1cc(N2C[C@H](Nc3ccc([N+](=O)[O-])cn3)CC2=O)cn1	1615586968	HDLZEHUPKFMKAW-SECBINFHSA-N	302.294	0.941	5	50	DCBA	
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	1616034591	PSLWQUNYISEAOW-GWCFXTLKSA-N	307.354	0.729	5	50	DCBA	
O=C(c1nc[nH]n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4819019	CPWPUSYJGUWMLY-UHFFFAOYSA-N	302.294	0.675	5	50	DCBA	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	4993523	XSEIACXXCBWIPW-UHFFFAOYSA-N	302.308	0.624	5	50	DCBA	
COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1	307816	BQZJCPDSIGSGTI-NSHDSACASA-N	321.289	0.099	5	50	DCBA	
O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	245255282	GZQMGFUZNAZADQ-UKKRHICBSA-N	304.686	0.099	5	50	DCBA	
NC(=O)NC[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1	2325721448	XJQYUEXLLCUNBC-SNVBAGLBSA-N	322.321	0.490	5	50	DCBA	
CN1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@H]21	241383101	MSOHFJRYHLTGPP-OCCSQVGLSA-N	321.333	0.846	5	50	DCBA	
C[C@H]1C[C@H](O)CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	170606320	OIGVMXUYJDPJLS-IUCAKERBSA-N	300.336	0.958	5	50	DCBA	
CS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	285278	WBGONUUDVNWONI-UHFFFAOYSA-N	313.335	0.312	5	50	DCBA	
CNc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	4688244	JHBVGTGWHGZCIH-UHFFFAOYSA-N	314.367	0.718	5	50	DCBA	
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCOCC1	128098068	XFUBOKKSHKYOKP-CYBMUJFWSA-N	323.349	0.326	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCC2(CNC2)C1	725372941	CYLPKLGHQPXEGT-UHFFFAOYSA-N	311.363	0.969	5	50	DCBA	
COC[C@@H]1CN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CCO1	408518738	XHPPGPIHASNUDB-VIFPVBQESA-N	311.294	0.628	5	50	DCBA	
Cc1cc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])cc1C	409414048	MEJQLABEQDUQTJ-PBGAJXSPSA-N	312.322	0.451	5	50	DCBA	
Cc1cccc(N(C)C[C@@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-]	225505812	DBFMERHUOWXEOJ-CQSZACIVSA-N	322.409	0.948	5	50	DCBA	
NC1=NC(=O)C2(COC(c3cccc([N+](=O)[O-])c3)OC2)S1	278657	WYZOOEYBMPPUEK-UHFFFAOYSA-N	309.303	0.967	5	50	DCBA	
O=C(Nc1ccccc1)OC[C@H]1C[N+]23CCO[B-]2(OCC3)O1	195812461	PUZNDRLDBOYGOM-BZOOQXSSSA-N	306.127	0.947	5	50	DCBA	
C[C@H](c1nc2c3cnn(C)c3ncn2n1)n1cc([N+](=O)[O-])cn1	2802683	FOKLIFWMDGMMET-SSDOTTSWSA-N	313.281	0.725	5	50	DCBA	
Cc1c(CN(C)C(=O)c2nn(C)c(C)c2[N+](=O)[O-])cnn1C	2778902	SXFLBQMYHWNOCT-UHFFFAOYSA-N	306.326	0.951	5	50	DCBA	
CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2NN=NC2=N1	71495	TUSLZPXDNDZREM-JTQLQIEISA-N	301.266	0.952	5	50	DCBA	
Nn1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O	40398603	IRIJPTPUUNMGAL-UHFFFAOYSA-N	305.297	0.809	5	50	DCBA	
COC(=O)c1ccc(C(C(=O)OC)C(=O)OC)c([N+](=O)[O-])c1	85471816	PMCBNFSIKVRNNK-UHFFFAOYSA-N	311.246	0.811	5	50	DCBA	in-vitro
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@H]1C(F)F	367479873	FVPPKHXIIYFZOX-VIFPVBQESA-N	321.305	0.822	5	50	DCBA	
CCOC(=O)CSc1nc2nc(C)c([N+](=O)[O-])c(O)n2n1	6491966	CGUHHVBGUFICLF-UHFFFAOYSA-N	313.295	0.702	5	50	DCBA	
C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	101134994	XVVUGNDGMVOWSK-GHIOYOQGSA-N	301.320	0.514	5	50	DCBA	
O=C(c1cnc(O)c([N+](=O)[O-])c1)N1CCCC2(C1)OCCO2	170600293	YXWRXNIAZXIFSQ-UHFFFAOYSA-N	309.278	0.675	5	50	DCBA	
Cc1nnc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)n1C	585092087	DSARBFSGXKMNRM-UHFFFAOYSA-N	303.326	0.753	5	50	DCBA	
CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)NC1=O	131111593	HROQRLSBXNOSSC-GFCCVEGCSA-N	319.317	0.791	5	50	DCBA	
C[C@@H]1O[C@@H](Sc2ccccc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	25664135	XVVUGNDGMVOWSK-CAXGQTPXSA-N	301.320	0.514	5	50	DCBA	
CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cc([N+](=O)[O-])n[nH]1	1634603831	GEGLQWLMYKAIEM-UHFFFAOYSA-N	309.204	0.714	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@]2(CCNC2)C1	154364506	MDMWEMTWECPMOX-ZDUSSCGKSA-N	311.363	0.969	5	50	DCBA	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	582464	GNMKIWWVBIBGNX-UHFFFAOYSA-N	318.307	0.542	5	50	DCBA	
O=C(O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1	4344167	XEKBNNVVCDSGBZ-SNVBAGLBSA-N	300.292	0.833	5	50	DCBA	
CO[C@H]1CCN(c2cc(S(N)(=O)=O)c(C)cc2[N+](=O)[O-])C1	585118404	MZUSDTVTXLMXQP-VIFPVBQESA-N	315.351	0.776	5	50	DCBA	
NCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	725373997	FEQRSKDMSQWYQQ-JTQLQIEISA-N	317.323	0.065	5	50	DCBA	
CN1C=C(C(=O)NCCC[N+]2(C)CCOCC2)C=CC1=CN=O	1857524723	VRWYMKDCOPMPCD-UHFFFAOYSA-O	321.401	0.963	5	50	DCBA	
Cc1ccc(OC[C@H](O)CN(C)S(=O)(=O)O)c([N+](=O)[O-])c1	2897387	RBCHDHAUMJOLCS-SECBINFHSA-N	320.323	0.378	5	50	DCBA	
NC(=O)N[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	273169625	OQWMEJNEAORDID-QWRGUYRKSA-N	324.337	0.077	5	50	DCBA	
CC(=O)N[C@@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)C(=O)O	1730677	CFKZKLOBRPCKTF-ZETCQYMHSA-N	313.222	0.340	5	50	DCBA	in-vitro
O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccccc1[N+](=O)[O-]	20101830	TYESCGREKJLMIH-LBPRGKRZSA-N	305.290	0.559	5	50	DCBA	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@@H](C)O	245242157	DLNWZIVYKQXLTN-YCLREWFLSA-N	301.383	0.794	5	50	DCBA	biogenic
O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCNCC1	4819024	NHHLJCUYBZGSFN-UHFFFAOYSA-N	310.329	0.980	5	50	DCBA	
Nn1ccc2nc3ccn(C[C@@H]4CCCO4)c(=O)c3cc2c1=O	40398634	QONPHXXJTKYKMV-JTQLQIEISA-N	312.329	0.604	5	50	DCBA	
Nc1ccc(C(=O)NC[C@H]2CCCS2(=O)=O)cc1[N+](=O)[O-]	127055177	WOKREBPRAILURW-SECBINFHSA-N	313.335	0.484	5	50	DCBA	
Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1	8935142	XZZUGCXCJKWUKD-UHFFFAOYSA-N	320.265	0.719	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	30493545	ZRFCUQUUCAMULC-UHFFFAOYSA-N	302.308	0.624	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCO[C@@H]1CCCCO1	408515617	IQUFWHUDXAPKFG-CYBMUJFWSA-N	312.326	0.841	5	50	DCBA	
C/C=C/C[C@@H](CO)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	596195630	GVYQXNHQSUJKFB-PBKGFPTLSA-N	315.351	0.981	5	50	DCBA	
O=[N+]([O-])c1cncc(Br)c1N1C[C@@H](O)[C@H](O)C1	236532816	QEVIRWNLRCHBND-HTQZYQBOSA-N	304.100	0.294	5	50	DCBA	
C[C@@H]1O[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	244724716	MZGWUMLEARWVSJ-WUXCAISBSA-N	318.713	0.488	5	50	DCBA	
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2ncccn2)CC1	2778185	REFGHDYHXOGEEG-UHFFFAOYSA-N	317.309	0.081	5	50	DCBA	
O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](CCO)c2ccco2)c1	185091127	CIIGJVOKEJWKTC-NEPJUHHUSA-N	310.310	0.459	5	50	DCBA	
CCn1ncc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1C(N)=O	2782612	WVSLFXVADOWQGP-UHFFFAOYSA-N	321.297	0.204	5	50	DCBA	
COc1ccc(Cn2cc(F)c(=O)n(C)c2=O)cc1[N+](=O)[O-]	380797	HUVCQYKPBBODTJ-UHFFFAOYSA-N	309.253	0.651	5	50	DCBA	
CNC(=O)c1ccc(N2CCOC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1	130058942	RZWFZACOHAJTEB-JQWIXIFHSA-N	323.349	0.931	5	50	DCBA	
CCc1[nH]nc(C(=O)N[C@@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-]	371304803	VQEWFAPBNBFZBD-SSDOTTSWSA-N	304.310	0.891	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(CCNCC3)C2)cc1	725375400	ZAKPJZUQLUCMFN-UHFFFAOYSA-N	311.363	0.969	5	50	DCBA	
CN1CCC[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)C1	356253408	KOMCENDBQBFDQP-AWEZNQCLSA-N	307.354	0.736	5	50	DCBA	
O=C1[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1O	223974539	KAPGALZAWHWYEG-WYUUTHIRSA-N	304.258	0.967	5	50	DCBA	
Cc1ccc([N+](=O)[O-])c(NCc2cn(CCO)c(=O)nc2O)c1	1616038791	PYYIDHFWMUKZFV-UHFFFAOYSA-N	320.305	0.770	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2[C@@H]3COCOC[C@@H]32)cc1	136288203	LPMZASFNNMIERS-FOSCPWQOSA-N	300.292	0.341	5	50	DCBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(C(N)=O)cc1	1429920	BYPXVHGVPDVLBG-UHFFFAOYSA-N	303.278	0.837	5	50	DCBA	
NC(=O)CCCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	170600148	LZJOHKDTUQIUSH-UHFFFAOYSA-N	320.349	0.899	5	50	DCBA	
Nc1ncnc(Nc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	3892577	CJFLHQVFLUGUGF-UHFFFAOYSA-N	310.295	0.358	5	50	DCBA	
COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cn1cc([N+](=O)[O-])cn1)C2	458112998	YQNRGIUZFFUZCI-YUSALJHKSA-N	322.321	0.591	5	50	DCBA	
O=[N+]([O-])c1ccc(N2CC(O)(c3cnn[nH]3)C2)c([N+](=O)[O-])c1	1775986544	PQOLIRBSXZMKJQ-UHFFFAOYSA-N	306.238	0.329	5	50	DCBA	
Cc1nn(CCC(=O)N2CC[C@@H](C(=O)O)C2)c(C)c1[N+](=O)[O-]	237871614	IXXIWZLSDGLGEK-SNVBAGLBSA-N	310.310	0.731	5	50	DCBA	
CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1	71186	WYNJLIWKHKYLHA-NSHDSACASA-N	300.278	0.613	5	50	DCBA	
COC(=O)CN(c1ccc(F)cc1[N+](=O)[O-])S(C)(=O)=O	1772572636	DVLBRNONNWFVEF-UHFFFAOYSA-N	306.271	0.673	5	50	DCBA	
Cc1nc(N2CCOCC2)nc(N2CCN(C)CC2)c1[N+](=O)[O-]	4311736	IYHZNOQWJSSCRN-UHFFFAOYSA-N	322.369	0.282	5	50	DCBA	
Cc1ccnc(N2CCO[C@H](CN3CCOCC3)C2)c1[N+](=O)[O-]	952878026	XWEPPQWNOFPPFA-CYBMUJFWSA-N	322.365	0.836	5	50	DCBA	
CN1CCO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]21	241383100	MSOHFJRYHLTGPP-JSGCOSHPSA-N	321.333	0.846	5	50	DCBA	
O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H](O)C[C@@H](O)C3)n2)c1	610604533	WQEMKQYLLCCWTH-TXEJJXNPSA-N	320.305	0.572	5	50	DCBA	
CCOC(=O)C1=NN(c2ccc(OC)cc2[N+](=O)[O-])CC1=O	6206086	SHRGRVSDKNMEJO-UHFFFAOYSA-N	307.262	0.912	5	50	DCBA	
CC1=NN(C(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)[C@](O)(C(F)F)C1	6394665	JBDDZNPNDXNKDZ-WRWORJQWSA-N	317.252	0.914	5	50	DCBA	
O=[N+]([O-])c1cncc(Br)c1N1C[C@H](O)[C@H](O)C1	236605567	QEVIRWNLRCHBND-OCAPTIKFSA-N	304.100	0.294	5	50	DCBA	
CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1	301613	HBSWYIRAUBFQAG-GXDHUFHOSA-N	319.317	0.931	5	50	DCBA	
O=C1CCC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19851066	CUJQSQDOHULZQW-UHFFFAOYSA-N	318.333	0.823	5	50	DCBA	
O=C(O)c1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1	4501602	WTVSECVMOHYKGX-ZZXKWVIFSA-N	303.230	0.840	5	50	DCBA	
NC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	333738	JMBRLEOGEFVKBB-UHFFFAOYSA-N	313.335	0.481	5	50	DCBA	
C[C@@H](O)C(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	270924363	VSEHMAFUCFHLJK-GFCCVEGCSA-N	307.350	0.662	5	50	DCBA	
CN1CCN(CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1	170595278	VJCSLXAIPATRHJ-UHFFFAOYSA-N	320.397	0.849	5	50	DCBA	
O=C1CC[C@@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C2CC2)N1	367460293	ZOVWOJCTULXCPJ-IUODEOHRSA-N	320.349	0.403	5	50	DCBA	
COc1ccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1[N+](=O)[O-]	70116	QUMUQAFERDYOAU-UHFFFAOYSA-N	306.234	0.232	5	50	DCBA	
NCCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O	725373145	OCYFKUUHVRYLHF-QMMMGPOBSA-N	317.323	0.065	5	50	DCBA	
NC(=O)NC[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1	2325721447	XJQYUEXLLCUNBC-JTQLQIEISA-N	322.321	0.490	5	50	DCBA	
Cc1ccc(S(=O)(=O)NCCn2cnc([N+](=O)[O-])n2)cc1	33621	QWTPQAZRLVPBBG-UHFFFAOYSA-N	311.323	0.473	5	50	DCBA	
Cc1cc([N+](=O)[O-])cnc1NCC12COCCN1CCOC2	585132779	VAQGUPJAISCZQK-UHFFFAOYSA-N	308.338	0.811	5	50	DCBA	
O=C1CCCN1C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc21	170077309	IOBBAZXNXNELCN-CYBMUJFWSA-N	305.334	0.941	5	50	DCBA	
CN(C)c1c([N+](=O)[O-])cc(N2C(=O)C=CC2=O)cc1[N+](=O)[O-]	4521074	QPYAUURPGVXHFK-UHFFFAOYSA-N	306.234	0.998	5	50	DCBA	in-vitro
O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2CC[C@H](O)[C@H]1C2	1775999446	MUBWTHRYDQSNTK-RTXFEEFZSA-N	308.338	0.943	5	50	DCBA	
COC(=O)c1nnn2c1Sc1ccc([N+](=O)[O-])cc1[C@@H]2O	2049513504	OKCJAKSXEGUSEO-VIFPVBQESA-N	308.275	0.977	5	50	DCBA	
COc1ccc(S(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1	621090	RGMCINHBTYWWNW-UHFFFAOYSA-N	302.308	0.624	5	50	DCBA	
O=C1[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	226628403	LKKZWDCIUPUKAE-FJJYHAOUSA-N	316.269	0.400	5	50	DCBA	
COC(OC)C(=O)N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1	952877210	NACWLCPUGMQINU-UHFFFAOYSA-N	324.337	0.566	5	50	DCBA	
CN(C)S(=O)(=O)NCCCNc1ccc([N+](=O)[O-])cc1	4499366	HSNSCJZJLZQAJI-UHFFFAOYSA-N	302.356	0.793	5	50	DCBA	
O=[N+]([O-])c1cnn(C[C@@H](O)Cn2nnc(-c3ccsc3)n2)c1	193404924	GGDXYOFLRVXMAJ-SNVBAGLBSA-N	321.322	0.567	5	50	DCBA	
CC1(C)NC(=O)N(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)C1=O	435076	VYZYOIIHVZIASK-SNVBAGLBSA-N	323.305	0.665	5	50	DCBA	
Cc1cc([N+](=O)[O-])nn1Cc1nc(N)nc(N2CCCCC2)n1	6668845	WDMBHSIKGJBGNA-UHFFFAOYSA-N	318.341	0.906	5	50	DCBA	
Cc1c([N+](=O)[O-])c([N+](=O)[O-])c2[nH]c(=O)c(=O)[nH]c2c1[N+](=O)[O-]	100508999	BZGIJDFBPPUXNQ-UHFFFAOYSA-N	311.166	0.249	5	50	DCBA	
O=C1C[C@H](N2CCOCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1	100289049	HYMSBHOYYDVLPJ-LBPRGKRZSA-N	305.290	0.559	5	50	DCBA	
Nc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-]	952992377	LKRNSWCGQDCAAP-YPMHNXCESA-N	307.354	0.607	5	50	DCBA	
C[C@@H]1C[C@H]1N1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	371344523	NJQHMXNWVLUASN-KXUCPTDWSA-N	316.321	1.059	5	50	DCBA	
Nn1ccc2nc3ccn(Cc4ccccn4)c(=O)c3cc2c1=O	40398631	YWHZVPNAKCUWEL-UHFFFAOYSA-N	319.324	0.869	5	50	DCBA	
O=c1[nH]c(/C=C/c2ccc([N+](=O)[O-])c(O)c2)c([N+](=O)[O-])c(=O)[nH]1	141857693	IWZFVUKTQXNPNL-HNQUOIGGSA-N	320.217	0.756	5	50	DCBA	
O=C1CC[C@H](NCCn2cc([N+](=O)[O-])ccc2=O)[C@H](C2CC2)N1	367460295	ZOVWOJCTULXCPJ-WFASDCNBSA-N	320.349	0.403	5	50	DCBA	
Cc1cc(OCC(=O)OCCCNC(N)=O)ccc1[N+](=O)[O-]	252490003	KHCHYWJVDKBEOF-UHFFFAOYSA-N	311.294	0.884	5	50	DCBA	
O=C(COc1ccc([N+](=O)[O-])cc1)NCCCN1CCOCC1	20351908	DPOZRWCXJAUZQP-UHFFFAOYSA-N	323.349	0.812	5	50	DCBA	
Cc1nn2c(=O)/c(=C\c3cccc([N+](=O)[O-])c3)sc2nc1=O	5530415	NKXYJDPECUBMHH-UXBLZVDNSA-N	316.298	0.276	5	50	DCBA	
C[N@@+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@H]32	1857526210	ZCLCRBMIHQMBMN-VDMKFOLZSA-N	302.350	0.893	5	50	DCBA	
CC(=O)c1ccc(N(CCO)CCOCCO)c([N+](=O)[O-])c1	408521000	FIKHUJBKGOQXQW-UHFFFAOYSA-N	312.322	0.605	5	50	DCBA	
Cc1nn(CCC(=O)NCCCN2CCCC2=O)cc1[N+](=O)[O-]	6527451	ANTANSUHOHAHKC-UHFFFAOYSA-N	323.353	0.619	5	50	DCBA	
O=[N+]([O-])c1cnn(CCN2CCC(Cn3ccnn3)CC2)c1	155866510	UGIUYSUDQKENGK-UHFFFAOYSA-N	305.342	0.795	5	50	DCBA	
CCS(=O)(=O)NCCNc1cc2[nH]ncc2cc1[N+](=O)[O-]	1776006262	QMIZEMKVGZYYAP-UHFFFAOYSA-N	313.339	0.822	5	50	DCBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CC(c3cc[nH]n3)C2)ccc1O	1775994979	YMUAGMOJEBFJBL-UHFFFAOYSA-N	324.318	0.812	5	50	DCBA	
COc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC	344794	DWXYNSAMASQCRT-UHFFFAOYSA-N	307.266	0.842	5	50	DCBA	
CCn1cc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])c(C(N)=O)n1	2782491	YJHWZHHDBNMOTR-UHFFFAOYSA-N	321.297	0.204	5	50	DCBA	
CCc1c(C(=O)O)[nH]c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	5197303	YCRSJCJHQCENKU-UHFFFAOYSA-N	305.246	0.695	5	50	DCBA	
COc1cc(C(=O)N2CCOC(=O)N2)c([N+](=O)[O-])cc1OC	1615606444	YJEBNNIWGSDUOY-UHFFFAOYSA-N	311.250	0.709	5	50	DCBA	
Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1N	3486549	SFBXGSDSHGNRAV-UHFFFAOYSA-N	308.323	0.939	5	50	DCBA	
O=C(NC[C@H]1CN2CCN1CC2)c1ccc([N+](=O)[O-])cc1F	178651607	NXYZJDFOOODPAE-NSHDSACASA-N	308.313	0.464	5	50	DCBA	
O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	226628409	LKKZWDCIUPUKAE-YXMPFFBPSA-N	316.269	0.400	5	50	DCBA	
COC(=O)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	2472159	OPMBGYONJYEPSH-UHFFFAOYSA-N	302.308	0.826	5	50	DCBA	
CN1CCN(c2c(C(=O)O)cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	3879244	UKDMOXIGYKCTLP-UHFFFAOYSA-N	310.266	0.953	5	50	DCBA	
C[C@H]1CC[C@H](C(N)=O)CN1c1ccc2ncc([N+](=O)[O-])n2n1	170604126	FJPPNXVXVAKYAQ-IUCAKERBSA-N	304.310	0.728	5	50	DCBA	
C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1CCO	585094500	SSTCKZSUPSTXBY-BNOWGMLFSA-N	312.370	0.635	5	50	DCBA	
CC(C)N(CCOCCO)C(=O)Cn1cc([N+](=O)[O-])cn1	314147260	FIYRCFUVRRVVMX-UHFFFAOYSA-N	300.315	0.037	5	50	DCBA	
CC1=NN(C(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)[C@](O)(C(F)F)C1	6394650	JBDDZNPNDXNKDZ-RDDDGLTNSA-N	317.252	0.914	5	50	DCBA	
Cn1cnc([N+](=O)[O-])c1N1CCC[C@](O)(C(=O)N2CCCC2)C1	408037148	ZBOQLXZRLZNJHB-CQSZACIVSA-N	323.353	0.282	5	50	DCBA	
CN1CCN(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	2747317	GDUMAJMKUOPQEV-UHFFFAOYSA-N	300.340	0.036	5	50	DCBA	
CN(CCOCCN)S(=O)(=O)c1ccccc1[N+](=O)[O-]	599112235	WSGUOIDJSZLQTI-UHFFFAOYSA-N	303.340	0.191	5	50	DCBA	
CCN(C[C@@H](O)COc1ccc([N+](=O)[O-])cc1)S(=O)(=O)O	22205767	DSJDDSAHFBSXED-SNVBAGLBSA-N	320.323	0.459	5	50	DCBA	
CC(C)[C@](O)(C(=O)OC[C@@H]1CC[N@+]2([O-])CCC[C@@H]12)[C@H](C)O	245242156	DLNWZIVYKQXLTN-UNPMEBSKSA-N	301.383	0.794	5	50	DCBA	biogenic
CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	2845237	XJSSPBHALIRVEX-UHFFFAOYSA-N	301.324	0.415	5	50	DCBA	
CC(C)NS(=O)(=O)NCCNc1cccc(F)c1[N+](=O)[O-]	277165424	MDHULUZQODDKSI-UHFFFAOYSA-N	320.346	0.978	5	50	DCBA	
CCOC(=O)c1cnn2cc(-n3cc([N+](=O)[O-])cn3)cnc12	234478	VSNLKKFWZTTXOQ-UHFFFAOYSA-N	302.250	1.000	5	50	DCBA	
Cn1[nH]c([C@H]2CCCN(c3cnc([N+](=O)[O-])c(O)c3)C2)nc1=N	1776005184	CYOZUYUQZAWCEZ-QMMMGPOBSA-N	319.325	0.620	5	50	DCBA	
C[C@H]1CC[C@@H](C(N)=O)CN1c1ccc2ncc([N+](=O)[O-])n2n1	170604128	FJPPNXVXVAKYAQ-DTWKUNHWSA-N	304.310	0.728	5	50	DCBA	
Cc1nn(C)cc1CN(C)C(=O)c1nn(C)c(C)c1[N+](=O)[O-]	2778194	MNDYCPNKZVBFAJ-UHFFFAOYSA-N	306.326	0.951	5	50	DCBA	
CN1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@@H]21	241383099	MSOHFJRYHLTGPP-GXTWGEPZSA-N	321.333	0.846	5	50	DCBA	
Cn1[nH]c([C@@H]2CCCN(c3cnc([N+](=O)[O-])c(O)c3)C2)nc1=N	1776005181	CYOZUYUQZAWCEZ-MRVPVSSYSA-N	319.325	0.620	5	50	DCBA	
Cc1csc(NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)n1	585088106	KDWFCYAVNPNERA-UHFFFAOYSA-N	310.339	0.785	5	50	DCBA	
Cn1c(=O)c2c(ncn2Cc2ccc([N+](=O)[O-])cc2)n(C)c1=O	459526	YKLFMAVWWVUBHN-UHFFFAOYSA-N	315.289	0.390	5	50	DCBA	biogenic
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCOCC1	128097869	XFUBOKKSHKYOKP-ZDUSSCGKSA-N	323.349	0.326	5	50	DCBA	
Cc1nn2c(=O)/c(=C/c3cccc([N+](=O)[O-])c3)sc2nc1=O	199710	NKXYJDPECUBMHH-POHAHGRESA-N	316.298	0.276	5	50	DCBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC)c2C(N)=O)n1	2780455	VHERQUQQPKNVSX-UHFFFAOYSA-N	321.297	0.379	5	50	DCBA	
C[N@+]12CCC3=C[C@H](O)[C@@H](O)[C@H](c4cc5c(cc4C1)OCO5)[C@@H]32	252441502	ZCLCRBMIHQMBMN-CRQORTERSA-N	302.350	0.893	5	50	DCBA	
COC(=O)CCNC(=O)Cn1c(Cl)c([N+](=O)[O-])ccc1=O	408522323	HORWJHAMRJWPHI-UHFFFAOYSA-N	317.685	0.089	5	50	DCBA	
Cc1cc(C(=O)NCC(=O)NC[C@@H](C)C(=O)O)ccc1[N+](=O)[O-]	262807497	SXXRUBCRWUCAKS-SECBINFHSA-N	323.305	0.470	5	50	DCBA	
COC(=O)c1ccc(OC[C@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1	169851462	UMTBRFLKBSGDRJ-ODIFPOPNSA-N	321.138	0.564	5	50	DCBA	
Cc1nc(N2CCO[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-]	952992462	FGJGGBLWRMYAHL-CYBMUJFWSA-N	322.365	0.836	5	50	DCBA	
O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2	2800238	POXDBLNVVXWBQW-UHFFFAOYSA-N	304.262	0.950	5	50	DCBA	
NC(=O)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	4740795	JDUSKDDXXNCKHN-UHFFFAOYSA-N	313.335	0.481	5	50	DCBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)NN1CCN(C)CC1	5041926	OTVGINPSDQPZSS-UHFFFAOYSA-N	309.326	0.887	5	50	DCBA	
CC1=NN(C(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)[C@@](O)(C(F)F)C1	6395269	JBDDZNPNDXNKDZ-CPCISQLKSA-N	317.252	0.914	5	50	DCBA	
C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCCC1=O	170088729	PKYNSKPYRQUFKG-SECBINFHSA-N	321.337	0.902	5	50	DCBA	
C[N@+]12CCC3=C[C@H](O)[C@@H](O)[C@H](c4cc5c(cc4C1)OCO5)[C@H]32	252441501	ZCLCRBMIHQMBMN-BDISVTLVSA-N	302.350	0.893	5	50	DCBA	
CN(C[C@H](O)CN1CCOCC1)c1ccnc(F)c1[N+](=O)[O-]	585118086	AWGHOZXURRYGHY-JTQLQIEISA-N	314.317	0.258	5	50	DCBA	
O=[N+]([O-])c1ccc(OC2CN(S(=O)(=O)N3CCC3)C2)cc1	367153222	XIFIGNGHAAZUTJ-UHFFFAOYSA-N	313.335	0.608	5	50	DCBA	
O=c1c2ccc([N+](=O)[O-])cc2ncn1CC1(O)CCNCC1	1857783493	TVFYRQVFYWCJIE-UHFFFAOYSA-N	304.306	0.419	5	50	DCBA	
C[N@@+]12CCC3=C[C@H](O)[C@@H](O)[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	253389872	ZCLCRBMIHQMBMN-KMJFJPQNSA-N	302.350	0.893	5	50	DCBA	biogenic
CNC(=O)c1ccc(N2CCOC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1	130058755	RZWFZACOHAJTEB-ZYHUDNBSSA-N	323.349	0.931	5	50	DCBA	
O=[N+]([O-])NCCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	110433608	DHHQGVIYLGPVNJ-UHFFFAOYSA-N	316.186	0.604	5	50	DCBA	
COC(=O)[C@H](CC(C)C)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1	294594023	IPJOFGTXRSAJIN-NSHDSACASA-N	312.326	0.837	5	50	DCBA	
CCNC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12	389741536	SQYWRQNDAUWNNK-UHFFFAOYSA-N	304.310	1.269	5	50	DCBA	
N[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21	225350163	BHIJHWKKUURTBD-JIMOISOXSA-N	311.363	0.953	5	50	DCBA	
Cc1nc(N2CCN3CCOC[C@@]3(CO)C2)ccc1[N+](=O)[O-]	952994129	VIHXJDFIHCGUEV-AWEZNQCLSA-N	308.338	0.182	5	50	DCBA	
Cc1cc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])cc1C	409414049	MEJQLABEQDUQTJ-SUDMAZQFSA-N	312.322	0.451	5	50	DCBA	
COCCN1CCCN(c2ncc([N+](=O)[O-])s2)CC1=O	192546968	CWQUIQVZJJTNQT-UHFFFAOYSA-N	300.340	0.736	5	50	DCBA	
C=C(C)C(=O)NCCC[N+](C)(C)CCCCS(=O)(=O)O	114448997	YVECQSLRWYXZTR-UHFFFAOYSA-O	307.436	0.813	5	50	DCBA	
CS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	120164	LTEUHGXNJQRFFJ-UHFFFAOYSA-N	313.335	0.312	5	50	DCBA	
CNc1nccc(C(=O)N(C)CCN(C)C2CC2)c1[N+](=O)[O-]	328592819	DIPALDMNJQBNRN-UHFFFAOYSA-N	307.354	1.198	5	50	DCBA	
Cc1cc(C(=O)NCC(=O)NC[C@H](C)C(=O)O)ccc1[N+](=O)[O-]	262807500	SXXRUBCRWUCAKS-VIFPVBQESA-N	323.305	0.470	5	50	DCBA	
COC(=O)C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1N	377174563	GQKBFPFAIFHDAN-SNVBAGLBSA-N	323.305	0.581	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C)CC1	2531724	ZPLMGIBNEORWCR-UHFFFAOYSA-N	308.338	0.789	5	50	DCBA	
Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1ccccc1	1443286	JWHHPGARBVYUFX-UHFFFAOYSA-N	304.295	0.850	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCOC(=O)N1	1615001852	BWYOTWNIFXYWRJ-UHFFFAOYSA-N	324.293	0.889	5	50	DCBA	
O=C(CCN1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-]	249287754	JNFNXTGLMTUIKB-WDEREUQCSA-N	309.322	0.351	5	50	DCBA	
CCNS(=O)(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1	1875298211	RMLGUEMGQQGQNL-UHFFFAOYSA-N	303.340	0.951	5	50	DCBA	
O=[N+]([O-])c1ccc2c(c1NCCO)=NC1(CCCCC1)[N+]=2[O-]	4550494	ULGLBHLNNGEJFQ-UHFFFAOYSA-N	306.322	0.282	5	50	DCBA	
Cc1nn(CCC(=O)N2CC[C@H](C(=O)O)C2)c(C)c1[N+](=O)[O-]	237871726	IXXIWZLSDGLGEK-JTQLQIEISA-N	310.310	0.731	5	50	DCBA	
C[C@@H]1O[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	244724714	MZGWUMLEARWVSJ-HASKGGTLSA-N	318.713	0.488	5	50	DCBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCOCC1	3598588	QECHSEIWTIILLR-UHFFFAOYSA-N	319.273	0.050	5	50	DCBA	
CC1=NN(C(=O)CCn2cnc([N+](=O)[O-])n2)[C@@](O)(C(F)F)C1	6395179	PLQUTQHJUSWHGX-JTQLQIEISA-N	318.240	0.138	5	50	DCBA	
Cc1nn(C)c(-c2nc3c4cnn(C)c4ncn3n2)c1[N+](=O)[O-]	2802382	RHPPZMYSENDUPF-UHFFFAOYSA-N	313.281	0.628	5	50	DCBA	
CCOC(=O)[C@@H]1CSCN1C(=O)Cn1cc([N+](=O)[O-])cn1	685939882	NHNBNPJQAXXWMS-VIFPVBQESA-N	314.323	0.256	5	50	DCBA	
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)ccc1Cl	169682622	NGWUZGSHJOZWRB-XWLWVQCSSA-N	304.686	0.099	5	50	DCBA	biogenic
CN1CCO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C[C@H]21	241383102	MSOHFJRYHLTGPP-TZMCWYRMSA-N	321.333	0.846	5	50	DCBA	
Cc1nn2c(nc1=O)SC[C@@]2(O)c1ccc([N+](=O)[O-])cc1	94472	XRVNFPZPJPWUAX-GFCCVEGCSA-N	306.303	0.654	5	50	DCBA	
O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1O	223974487	KAPGALZAWHWYEG-KKOKHZNYSA-N	304.258	0.967	5	50	DCBA	
Cc1nn(C)c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)c1[N+](=O)[O-]	271879725	MCEWPHLKFHIWHA-QMMMGPOBSA-N	317.371	0.107	5	50	DCBA	
COC1(C)CN(c2ncc([N+](=O)[O-])c(N3CC(C)(OC)C3)n2)C1	585092938	VHPFSIYRVBIAQZ-UHFFFAOYSA-N	323.353	0.835	5	50	DCBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc2c(c1)OCO2	4743067	LHSQVBUCVXGYBA-UHFFFAOYSA-N	304.262	0.836	5	50	DCBA	
CCOC(=O)[C@H]1CSCN1C(=O)Cn1cc([N+](=O)[O-])cn1	685939881	NHNBNPJQAXXWMS-SECBINFHSA-N	314.323	0.256	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCCN[C@@H]2C1	221791749	WWUNEWVADWYIKB-WDEREUQCSA-N	311.363	0.967	5	50	DCBA	
C[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@H]1O	255982049	JVQFCJCGZQPUHG-CZDOKNLBSA-N	301.320	0.514	5	50	DCBA	
CCc1[nH]nc(C(=O)N[C@H]2CCc3nc[nH]c3C2)c1[N+](=O)[O-]	371304804	VQEWFAPBNBFZBD-ZETCQYMHSA-N	304.310	0.891	5	50	DCBA	
C[C@@H]1CN(CCO)CCN1CCOc1ccc([N+](=O)[O-])cc1	452112056	DYJLUNKVDCWVHT-CYBMUJFWSA-N	309.366	0.972	5	50	DCBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCN2CCCC[C@H]2C1	408027322	MWDPWCRVPDYJCH-LBPRGKRZSA-N	320.349	0.453	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	4269462	PXUGXDOXTZQEQH-MRVPVSSYSA-N	320.348	0.060	5	50	DCBA	
O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccc([N+](=O)[O-])cc1	19300237	HYMSBHOYYDVLPJ-GFCCVEGCSA-N	305.290	0.559	5	50	DCBA	
O=C1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]2CCCCN12	374581366	ARPLHFFFNVDAIM-VHSXEESVSA-N	316.321	1.203	5	50	DCBA	
CC1=NN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@](O)(C(F)(F)F)C1	1012175	CKBFQIWITZJUFB-VIFPVBQESA-N	321.215	0.650	5	50	DCBA	
O=C(NC[C@@H]1CN2CCN1CC2)c1ccc([N+](=O)[O-])cc1F	178651594	NXYZJDFOOODPAE-LLVKDONJSA-N	308.313	0.464	5	50	DCBA	
O=[N+]([O-])c1cccc(CN2CCN(CCOCCO)CC2)c1	2874966	KKODLCJGYRVDOA-UHFFFAOYSA-N	309.366	0.721	5	50	DCBA	
COc1cc(CN2CCN(CCO)CC2)cc([N+](=O)[O-])c1O	23114937	BANWZFVZELWXHA-UHFFFAOYSA-N	311.338	0.419	5	50	DCBA	
CNC(=O)c1ccc(N2CCOC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1	130058496	RZWFZACOHAJTEB-CMPLNLGQSA-N	323.349	0.931	5	50	DCBA	
O=C(O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C[C@@]23C=C[C@H]1O3	226957197	OABSTQQVOABLJC-BLTAXRJOSA-N	316.269	0.966	5	50	DCBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CC(c3ncc[nH]3)C2)ccc1O	1775994983	ZUXBGXZUBCMOEV-UHFFFAOYSA-N	324.318	0.812	5	50	DCBA	
CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O	123567	PRAFGBKLVVVLSD-JTQLQIEISA-N	302.308	0.982	5	50	DCBA	
COc1cc(OCC(=O)N[C@H]2C[C@@H](C(=O)O)C2)ccc1[N+](=O)[O-]	263350440	VIVNEOKJINLTNQ-DTORHVGOSA-N	324.289	0.962	5	50	DCBA	
CCN(C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1COC[C@H]1O	1775999389	QMCKVLOTZQLTCW-VXGBXAGGSA-N	320.305	0.693	5	50	DCBA	
COC[C@H]1CNCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	725373299	QDNRCFDXIAGDPR-SNVBAGLBSA-N	315.351	0.204	5	50	DCBA	
C[C@@H]1C[C@H]1N1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	371344524	NJQHMXNWVLUASN-OPRDCNLKSA-N	316.321	1.059	5	50	DCBA	
C[C@](O)(CNc1ncc([N+](=O)[O-])cc1Br)C(=O)O	263569205	ZDCPAXNSOSBCCO-VIFPVBQESA-N	320.099	1.000	5	50	DCBA	
NC(=O)C1(O)CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1	585132672	KOPIMTWAPYHBOI-UHFFFAOYSA-N	303.221	0.233	5	50	DCBA	
CNC(=O)CN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1	378130107	AQCIOQMTRFVILD-UHFFFAOYSA-N	307.354	0.556	5	50	DCBA	
O=C1CN(C(=S)NC(=O)c2ccccc2[N+](=O)[O-])CCN1	2886234	COYLXPDDEUCOIN-UHFFFAOYSA-N	308.319	0.041	5	50	DCBA	
Cc1ccnc(N2CCN(C[C@H](O)CN(C)C)CC2)c1[N+](=O)[O-]	585092002	AEEYDPNCJFLAEU-CYBMUJFWSA-N	323.397	0.343	5	50	DCBA	
COc1n[nH]c(C(=O)Nc2ccc(C(N)=O)cc2)c1[N+](=O)[O-]	6412847	SMKRHLBCFRXWBL-UHFFFAOYSA-N	305.250	0.678	5	50	DCBA	
O=C1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]2CCCCN12	374581367	ARPLHFFFNVDAIM-ZJUUUORDSA-N	316.321	1.203	5	50	DCBA	
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1[N+](=O)[O-])[C@H]1C=C[C@@]2(CO)O1	239402695	RAYRYKXJKVRUSN-ZAZJYDDPSA-N	316.269	0.400	5	50	DCBA	
CCn1ncc(NC(=O)CCn2ccc([N+](=O)[O-])n2)c1C(N)=O	2781757	FPLAXVPMOPZJHI-UHFFFAOYSA-N	321.297	0.135	5	50	DCBA	
CN[C@H](CC(=O)N1CCc2c(OC)ccc([N+](=O)[O-])c21)C(=O)O	44672343	MUCRWOILMOHLGD-SECBINFHSA-N	323.305	0.555	5	50	DCBA	in-vitro
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@@H]1N1CCOCC1	1616034597	PSLWQUNYISEAOW-MFKMUULPSA-N	307.354	0.729	5	50	DCBA	
Cc1cc([N+](=O)[O-])nn1CC(=O)N1N=CC[C@@]1(O)C(F)(F)F	6787360	YSOUCBCWBYZOIP-SECBINFHSA-N	321.215	0.569	5	50	DCBA	
CN(C)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	265397778	WAZWEQPSAAAYHI-UHFFFAOYSA-N	316.339	0.144	5	50	DCBA	
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCOC2(CCOCC2)C1	408355487	AEHMJQNLIHMLCM-UHFFFAOYSA-N	310.310	0.199	5	50	DCBA	
O=C1[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-]	169616405	RAYRYKXJKVRUSN-YXMPFFBPSA-N	316.269	0.400	5	50	DCBA	
COC(=O)c1cc(C)nc(N2CC(NC3COC3)C2)c1[N+](=O)[O-]	952877322	NHDIHGBPAWSXCG-UHFFFAOYSA-N	322.321	0.262	5	50	DCBA	
C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1=O	371344526	NJQHMXNWVLUASN-UTLUCORTSA-N	316.321	1.059	5	50	DCBA	
Cc1nn(CCC(=O)N2CCN3CCC[C@H]3C2)cc1[N+](=O)[O-]	2777815	ZYWBUIPAXPQFOV-LBPRGKRZSA-N	307.354	0.796	5	50	DCBA	
O=[N+]([O-])c1cnc(N2CCCN(c3cccnn3)CC2)nc1	241132737	JLIKPALAGYEOPY-UHFFFAOYSA-N	301.310	0.892	5	50	DCBA	
Cc1cc(NCCN(C)CCS(C)(=O)=O)ncc1[N+](=O)[O-]	1458572122	OAKUKOQUSIXASR-UHFFFAOYSA-N	316.383	0.687	5	50	DCBA	
C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)N1CCCCC1=O	170088726	PKYNSKPYRQUFKG-VIFPVBQESA-N	321.337	0.902	5	50	DCBA	
O=[N+]([O-])c1cnn(C[C@H](O)Cn2nnc(-c3ccsc3)n2)c1	193404946	GGDXYOFLRVXMAJ-JTQLQIEISA-N	321.322	0.567	5	50	DCBA	
COC(=O)c1cc([N+](=O)[O-])cn(Cc2ccc(OC)nc2)c1=O	362306085	PXAMGCGERFOEAC-UHFFFAOYSA-N	319.273	0.995	5	50	DCBA	
O=[N+]([O-])c1ccc(CN2CCN(CCOCCO)CC2)cc1	2870908	YZTNIYVYWXNPDB-UHFFFAOYSA-N	309.366	0.721	5	50	DCBA	
O=C(NCCN1C(=O)Cc2ccccc21)c1cc([N+](=O)[O-])[nH]n1	241897307	TXOCNRQWRRFPRR-UHFFFAOYSA-N	315.289	0.637	5	50	DCBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@]1(C(N)=O)CCOC1	584728664	SJXRJLWKNIPMJB-AWEZNQCLSA-N	322.321	0.076	5	50	DCBA	
CN(CCn1cncn1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	225603909	OXEKFVZZSIJGCD-UHFFFAOYSA-N	304.310	0.417	5	50	DCBA	
COC[C@H](O)CNc1c([N+](=O)[O-])c(=O)n(C)c2ccccc12	863982567	UBHROBAKJFUUGO-SECBINFHSA-N	307.306	0.866	5	50	DCBA	
COC(=O)CNC(=O)C=Cc1cc2c(cc1[N+](=O)[O-])OCO2	2053556430	FPYSMOUHESYIOQ-UHFFFAOYSA-N	308.246	0.626	5	50	DCBA	
NC(=O)NCCNc1ncc(Br)cc1[N+](=O)[O-]	123010575	XDCGZLUTOBTIOG-UHFFFAOYSA-N	304.104	0.833	5	50	DCBA	
CNC(=O)c1ccc(N2CCOC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1	130059150	RZWFZACOHAJTEB-PWSUYJOCSA-N	323.349	0.931	5	50	DCBA	
CCOC(=O)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	4118159	LLOWHSOHSHULDH-UHFFFAOYSA-N	310.262	0.674	5	50	DCBA	
Cc1ccnc(N2CCN(C[C@@H](O)CN(C)C)CC2)c1[N+](=O)[O-]	585092003	AEEYDPNCJFLAEU-ZDUSSCGKSA-N	323.397	0.343	5	50	DCBA	
COc1cccc(CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1	386878165	DZJJIJSVMYHWMM-CYBMUJFWSA-N	306.322	0.951	5	50	DCBA	
COc1ccc(NC(=O)CSc2nnnn2C)c([N+](=O)[O-])c1	9509845	CJIQMYCWBPJXKM-UHFFFAOYSA-N	324.322	0.858	5	50	DCBA	
C[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1CCO	585094502	SSTCKZSUPSTXBY-MRVWCRGKSA-N	312.370	0.635	5	50	DCBA	
O=C(O)CS(=O)(=O)CC(=O)Nc1ccc([N+](=O)[O-])cc1	4517822	MSQHOJKQOXFQRV-UHFFFAOYSA-N	302.264	0.033	5	50	DCBA	
Cn1nnnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	2568856	TUFWQXGWBPPGFR-UHFFFAOYSA-N	312.286	0.988	5	50	DCBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N=C(N)S1	1812396	ICOAWPGWOQSNET-SECBINFHSA-N	324.318	0.889	5	50	DCBA	
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@](O)(C(=O)N2CCCC2)C1	408037144	ZBOQLXZRLZNJHB-AWEZNQCLSA-N	323.353	0.282	5	50	DCBA	
Cc1nn(CC(=O)N2CCC(C(N)=O)CC2)c(C)c1[N+](=O)[O-]	6668605	HIUIYFFHKISFJY-UHFFFAOYSA-N	309.326	0.132	5	50	DCBA	
Cc1nnc(SCC(=O)Nc2nonc2[N+](=O)[O-])s1	12427719	VELOWSUBQSMWCT-UHFFFAOYSA-N	302.297	0.869	5	50	DCBA	
Cc1c(C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c(=O)n1C	206384	FPXONXPIBRSJNJ-UHFFFAOYSA-N	303.274	0.532	5	50	DCBA	
O=C(c1cc([N+](=O)[O-])ccc1N1CCNCC1)N1CCOCC1	4687596	YTABYOLRZCJUAF-UHFFFAOYSA-N	320.349	0.477	5	50	DCBA	
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCCOCCO	22342389	LZNRRFUDDVDKFD-UHFFFAOYSA-N	315.238	0.622	5	50	DCBA	
NS(=O)(=O)C1CN(c2ccc3ncccc3c2[N+](=O)[O-])C1	413568173	LORDGVZYFBDNOS-UHFFFAOYSA-N	308.319	0.620	5	50	DCBA	
O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	123585	NBPIPGHKYHUOGV-JTQLQIEISA-N	300.292	0.833	5	50	DCBA	
COCC(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12	408515425	QKKNKRHRCBHKNN-UHFFFAOYSA-N	319.321	1.103	5	50	DCBA	
COC(=O)[C@]1(C)CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1	412900873	FHLPCJGWNYSSTE-CYBMUJFWSA-N	310.310	0.593	5	50	DCBA	
O=C(C[S@](=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCO1	585138242	XVUCEEDZLYMPOL-MQJDWESPSA-N	312.347	0.998	5	50	DCBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN[C@@H]3C2)cc1	221785256	VCYQYGBSZGAZPV-GXFFZTMASA-N	311.363	0.967	5	50	DCBA	
CC1=C(C(N)=O)[C@H](c2cccc([N+](=O)[O-])c2)N2NN=NC2=N1	71489	PFOVVYIVJXYHDO-JTQLQIEISA-N	301.266	0.952	5	50	DCBA	
O=C(NN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1ccncc1	237454	NGZKYPKSVZFEAV-UHFFFAOYSA-N	312.241	0.931	5	50	DCBA	
O=C1C[C@@H](N2CCOCC2)C(=O)N1c1ccccc1[N+](=O)[O-]	4597942	TYESCGREKJLMIH-GFCCVEGCSA-N	305.290	0.559	5	50	DCBA	
Nc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-]	952992374	LKRNSWCGQDCAAP-AAEUAGOBSA-N	307.354	0.607	5	50	DCBA	
Cn1c(=O)c2c(nc([N+](=O)[O-])n2Cc2ccccc2)n(C)c1=O	367944	QXODFOCFKAUFBE-UHFFFAOYSA-N	315.289	0.390	5	50	DCBA	
O=C1C[C@H](Nc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]2CCCCN12	374581365	ARPLHFFFNVDAIM-UWVGGRQHSA-N	316.321	1.203	5	50	DCBA	
Cc1nc(N2CCO[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-]	952992463	FGJGGBLWRMYAHL-ZDUSSCGKSA-N	322.365	0.836	5	50	DCBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@]2(CCNC2)C1	154364608	MDMWEMTWECPMOX-CYBMUJFWSA-N	311.363	0.969	5	50	DCBA	
NC(=O)C(F)(F)C1(O)CN(c2ccc([N+](=O)[O-])cc2Cl)C1	1775989629	CYJCTWZKNRJXPR-UHFFFAOYSA-N	321.667	0.920	5	50	DCBA	
Cc1ccnc(N2CCO[C@@H](CN3CCOCC3)C2)c1[N+](=O)[O-]	952878034	XWEPPQWNOFPPFA-ZDUSSCGKSA-N	322.365	0.836	5	50	DCBA	
C[C@@H](c1nc2c3cnn(C)c3ncn2n1)n1cc([N+](=O)[O-])cn1	2802682	FOKLIFWMDGMMET-ZETCQYMHSA-N	313.281	0.725	5	50	DCBA	
COc1cc(F)c([N+](=O)[O-])c(NC[C@@H]2CC(C(N)=O)=NO2)c1	170603375	FCXCOJAAFVYEPM-ZETCQYMHSA-N	312.257	0.785	5	50	DCBA	
Cc1nnc2n[nH]c(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2c1C	408516724	SLPXERCHSDBTNL-UHFFFAOYSA-N	316.281	0.713	5	50	DCBA	
O=C(O)[C@@H]1[C@H]2C=C[C@@]3(CN(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]13)O2	239309195	HGPZOPYXWPAUKK-FJJYHAOUSA-N	316.269	0.966	5	50	DCBA	
CCOC(=O)NC(=O)CN(C=O)c1ncc([N+](=O)[O-])s1	71767310	NYAVBZNRRCLLOY-UHFFFAOYSA-N	302.268	0.287	5	50	DCBA	
CN(Cc1nnc2n1CCNC2=O)c1ccc(F)cc1[N+](=O)[O-]	1119556296	PSXRTMQXSAFLEP-UHFFFAOYSA-N	320.284	0.705	5	50	DCBA	
C[C@H](C(=O)N1N=CC[C@]1(O)C(F)(F)F)n1cc([N+](=O)[O-])cn1	6852719	HNOSDQXBWYMKGH-MUWHJKNJSA-N	321.215	0.821	5	50	DCBA