smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1	587263047	JSIQCAREXVUXLL-QMMMGPOBSA-N	409.320	4.240	5	1	HIBF	
C/C(=C(\c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1772597887	FFXUYTKTXDMJFP-HAHDFKILSA-N	404.422	4.144	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3ccc(CO)cc3)cc2)c([N+](=O)[O-])cc1OC	653716999	GHBOMCBWSLWZMV-OAQYLSRUSA-N	409.438	4.047	5	1	HIBF	
O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)c1ccc([N+](=O)[O-])cc1	1857576934	XYBPIVKXZOJLJT-UHFFFAOYSA-N	413.386	4.001	5	1	HIBF	
Cc1noc(C)c1-c1ccc2c(Nc3ccc([N+](=O)[O-])cc3)c(C(N)=O)cnc2c1	45334754	REQZKXFLTLLATG-UHFFFAOYSA-N	403.398	4.257	5	1	HIBF	
O=C(O)c1ccc2oc3ccc(OC[C@@H](O)CSc4ccccc4)cc3c(=O)c2c1	169321091	FVSLHROUIZMIAC-OAHLLOKOSA-N	422.458	4.176	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587713966	DQMMLNWYUDSIOJ-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587748586	ABWRNHGUIGAOEV-MGNBDDOMSA-N	407.239	4.057	5	1	HIBF	
CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1ccccc1	775969	XBVSIGYJWFSEKV-UHFFFAOYSA-N	423.425	4.206	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)NC[C@@H]1CCCN1C3	103273888	SWXYZMSGBZGXRW-AWEZNQCLSA-N	408.498	4.417	5	1	HIBF	
CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4211880	ZQZUQZFXTCGPGU-DOTOQJQBSA-N	408.241	4.082	5	1	HIBF	
CN(C)CCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccccc4c3c2c1=O	38838792	BGXSAMCEKHXLND-UHFFFAOYSA-N	413.433	4.050	5	1	HIBF	
N=C=C(c1ccnc(NCCc2ccc([N+](=O)[O-])cc2)n1)c1nc2ccccc2s1	169718885	DDYMXMZEGJWWAP-UHFFFAOYSA-N	416.466	4.329	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Br)nc2[nH]1	587109037	GOQPRTVJGIWXKM-UHFFFAOYSA-N	401.142	4.238	5	1	HIBF	
O=C1C[C@@H](c2ncc(Br)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	587499170	RRPHDPVLYIAMOH-INIZCTEOSA-N	403.232	4.338	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	587549180	RDEAJJNFYWAEAX-OXQOHEQNSA-N	413.769	4.362	5	1	HIBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OC	587573470	BZMTXSMHMLBGPO-NQIIRXRSSA-N	423.377	4.021	5	1	HIBF	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587576737	PLKPPOHHGSKFCZ-UGKGYDQZSA-N	407.378	4.402	5	1	HIBF	
CSC1=N[C@H]2C(=C(C)N1)C(=O)OCCCCCSc1c2cccc1[N+](=O)[O-]	137754612	MWXLENXLHDCMRP-OAHLLOKOSA-N	407.517	4.051	5	1	HIBF	
C[N+](C)(C)C[C@H](c1c[nH]c2ccccc12)c1c(=O)c(O)c2[nH]ccc3[nH]ccc1c32	205429014	NTXHZXUCUATDRY-QGZVFWFLSA-O	401.490	4.034	5	1	HIBF	
COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCCC(C)C)cccc3nc12	40875346	YNVFQWRFLIXGIL-VQTJNVASSA-N	424.497	4.013	5	1	HIBF	biogenic,in-vitro
O=C1NN=C2C=C(c3ccc(Br)cc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]12	299832707	KGHUNBLYUDIRBP-FUHWJXTLSA-N	412.243	4.030	5	1	HIBF	
C[C@]1(COc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587578801	XQUICKCIIICOKC-SIKLNZKXSA-N	407.378	4.100	5	1	HIBF	
CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587573413	BPOGROZIBBGCRQ-UGKGYDQZSA-N	406.394	4.069	5	1	HIBF	
O=[N+]([O-])c1ccc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)c(Cl)c1	96935204	YUOMXDHISILZQS-UHFFFAOYSA-N	420.834	4.275	5	1	HIBF	
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H](C)N1C(=O)Nc1ccccc1[N+](=O)[O-]	1857612740	HFEWVTJGXTWOLR-HUUCEWRRSA-N	422.441	4.108	5	1	HIBF	
CCOC(=O)[C@H]1Nc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@H]12	15952390	JPRRSZPEJDPTKT-XCRHUMRWSA-N	406.360	4.275	5	1	HIBF	
CC[N+](C)(CC)CCCNC(=O)c1cnc2c3c(cccc13)-c1ccccc1C2=O	43015979	PMGNTUDELMPHHT-UHFFFAOYSA-O	402.518	4.053	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	587239817	ONIQKZIMNTWNGK-SAZGQGMLSA-N	416.478	4.026	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587713963	DQMMLNWYUDSIOJ-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	587934414	DLQFLJSLCPNOBO-JDNHERCYSA-N	406.236	4.079	5	1	HIBF	
O=C(O)c1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	58582513	CBNQAISQPPCMGV-SDNWHVSQSA-N	413.389	4.163	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1	587267810	RHDTZCAZDWLLDL-NSHDSACASA-N	422.283	4.383	5	1	HIBF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc3cc4ccccc4cc3nc2O)N1	963229575	PKROZIMNTXDNMB-BJKOFHAPSA-N	421.456	4.330	5	1	HIBF	
Cc1cc2c(cc1O)[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)s1)N[C@H](C(=O)O)C2	963529888	ZNXDXHFEDWLXIG-OXJNMPFZSA-N	410.451	4.026	5	1	HIBF	
COc1c(O)cc2c(=O)oc3c(O)c(Oc4c(C)cccc4C)cc4c(=O)oc1c2c34	2356340001	FCDUJUFKQXMWTO-UHFFFAOYSA-N	420.373	4.319	5	1	HIBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1	586972315	HEXNPBDQTQDJDT-UHFFFAOYSA-N	405.501	4.290	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(OC)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O	587433098	NNIJWFDMGDDZTD-NYHFZMIOSA-N	407.378	4.361	5	1	HIBF	
COc1cc2c(OCCN(C)C)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5	1857745833	JNKBJOZJNGEUSN-UHFFFAOYSA-N	420.465	4.228	5	1	HIBF	
CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ncccc2[N+](=O)[O-])/C1=C(/O)OCCc1ccccc1	29487218	IJBCODPWDQSQPL-QUWSGOTNSA-N	424.413	4.085	5	1	HIBF	
Cc1onc(-c2nc3cc4ccccc4cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080283	SWIICWQNJAJWLP-UHFFFAOYSA-N	408.805	4.486	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587750548	IQIHVSLMVPDETQ-MLCYQJTMSA-N	407.239	4.057	5	1	HIBF	
CCN(CC)CCCNC(=O)CCCn1c2ccccc2c2nc3ccccc3nc21	1772589081	YLAYQDJANVSCQE-UHFFFAOYSA-N	417.557	4.366	5	1	HIBF	
CCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135536	VJBBRZDDJMCNJX-IYBDPMFKSA-N	411.506	4.382	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)nn2)c1	587269719	MYULMVPIMIJTKT-UHFFFAOYSA-N	408.727	4.391	5	1	HIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587273948	LLOVRPPQCQQVPK-ZETCQYMHSA-N	418.173	4.253	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc([N+](=O)[O-])cc12	587575689	KHDMWRSZUCNXQC-NZQKXSOJSA-N	403.390	4.494	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587747383	NFAQJBBHTBDIHE-VPTHRUTESA-N	410.199	4.028	5	1	HIBF	
CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	40949313	RDHHDXHOCUPOTM-INIZCTEOSA-N	421.240	4.168	5	1	HIBF	
CCCNC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1	28825000	CTDVOCIHRNUMAB-UHFFFAOYSA-O	421.670	4.313	5	1	HIBF	
CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1	587271321	AOHVNETUHWDFEO-UHFFFAOYSA-N	409.423	4.334	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c([N+](=O)[O-])cccc12	587576698	PIWGWIAFSGQMBX-REWPJTCUSA-N	403.390	4.494	5	1	HIBF	
CC/C(=C(/c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1772585695	LFSCPQMHLKVFMR-ZNTNEXAZSA-N	416.481	4.443	5	1	HIBF	
CCOC(=O)C1=C(SCC)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	29320633	XRZXHBOPXNPDAJ-DAMBIUFKSA-N	420.487	4.487	5	1	HIBF	
COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-]	587747992	RESIGDJUBDVFEV-XTZNXHDOSA-N	409.255	4.303	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])CC2=O	587470794	LYIQPILJUPMUPD-HXUWFJFHSA-N	423.425	4.485	5	1	HIBF	
CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12	587649151	RNUZQCUDYJGHRM-CYBMUJFWSA-N	417.462	4.367	5	1	HIBF	
CCCc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(nc3c(c1N)CCCC3)O2	1772617037	PGGDBKHDNMXVDQ-KRWDZBQOSA-N	405.458	4.412	5	1	HIBF	
COc1cc2c(c3nc4ccc5ccccc5c4c(OC)c13)[C@@H](O)[C@@H](O)C(C)(C)O2	35848145	YGRXFYDOCZKLIJ-FYYLOGMGSA-N	405.450	4.124	5	1	HIBF	
CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1	95591129	VKCPJTGJMTXVTH-UHFFFAOYSA-N	402.882	4.031	5	1	HIBF	
CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148157	ZJQIMFBSUMWMEN-IYBDPMFKSA-N	411.506	4.064	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc4c(c3[nH]2)CCCC4)CC1	587271018	XAJXDIRRPUXVTO-UHFFFAOYSA-N	404.470	4.370	5	1	HIBF	
CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)CC1	587644564	ZWEYZZWMCCUDBX-UHFFFAOYSA-N	415.291	4.257	5	1	HIBF	
CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCC(C)C	82192282	GNXNXDSIBXRUBZ-HNNXBMFYSA-N	408.549	4.024	5	1	HIBF	
COc1cccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1[N+](=O)[O-]	962713104	NUWMNZXKCRNXRA-SZNDQCEHSA-N	402.491	4.370	5	1	HIBF	
COc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)c([N+](=O)[O-])c1	587260872	JYNUQFNMCMEWHV-UHFFFAOYSA-N	401.382	4.252	5	1	HIBF	
O=c1c(-c2cccc(O)c2)coc2cc3occ(-c4cccc(O)c4)c(=O)c3c(O)c12	653899409	VRZRAVDXMDYJQV-UHFFFAOYSA-N	414.369	4.350	5	1	HIBF	
CNc1ccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-]	962710069	PHDCYRUEBYKPAN-YCRPNKLZSA-N	401.507	4.403	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2cccc3c2n1C[C@@H](CO)C3	14945615	AYNWBTZPYNOUOG-ZDUSSCGKSA-N	406.441	4.149	5	1	HIBF	
CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@H]1c1cccc([N+](=O)[O-])c1	101691978	WBCZVFKMXNYNCA-IBGZPJMESA-N	411.483	4.366	5	1	HIBF	
Cc1nc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2cc1Br	587266366	LAIKJBREXKBINJ-QMMMGPOBSA-N	421.211	4.018	5	1	HIBF	
C[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	587276280	KCDZLHOCNVCGIR-LURJTMIESA-N	404.146	4.058	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])O2	587377213	LSVRIBRXELKSHA-GOSISDBHSA-N	405.248	4.215	5	1	HIBF	
C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2	35937477	FZELPPCFOJWTQA-UHFFFAOYSA-N	402.586	4.418	5	1	HIBF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(O)c1	587240674	OAYNIJBBAQONSP-UHFFFAOYSA-N	402.410	4.333	5	1	HIBF	
Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1	82149334	JNOAUPPPAKCOIF-UHFFFAOYSA-N	421.457	4.191	5	1	HIBF	
O=c1cc(-c2cccc([N+](=O)[O-])c2)[nH]c2c(-c3cccs3)c(C(F)(F)F)nn12	101404870	ICOZUUXFOJGQEX-UHFFFAOYSA-N	406.345	4.345	5	1	HIBF	
CSC1=N[C@@H]2C(=C(C)N1)C(=O)OCCCCCSc1c2cccc1[N+](=O)[O-]	137754698	MWXLENXLHDCMRP-HNNXBMFYSA-N	407.517	4.051	5	1	HIBF	
COc1ccc([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1F	299840488	XKBMMAGHPUDFNF-GOSISDBHSA-N	413.408	4.299	5	1	HIBF	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc([N+](=O)[O-])cnc4[nH]3)cc2)cc1F	587147838	SPNSFOCYMWOJCU-UHFFFAOYSA-N	419.416	4.013	5	1	HIBF	
O=C(c1coc2cc([N+](=O)[O-])ccc12)C1CCN(c2nccc(C(F)(F)F)n2)CC1	587279812	BJKFJTFCLUZFMY-UHFFFAOYSA-N	420.347	4.249	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1ccc([N+](=O)[O-])cc12	587577916	UULJRGMZFZUZHE-UGKGYDQZSA-N	403.346	4.064	5	1	HIBF	
CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@@H]1Nc1ccc([N+](=O)[O-])cc1	40875605	HHLZOIYTQLVFIE-AEFFLSMTSA-N	402.501	4.076	5	1	HIBF	
CCC/C=C\C/C=C\CCCCC[C@H](O)CC(=O)O[C@@H](CCC(=O)O)[N+](C)(C)C	85590023	CBBAYEUCTOLHMQ-IQMGOBOOSA-O	412.591	4.431	5	1	HIBF	endogenous,in-man
COc1cccc(OC)c1-c1ccc(C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	13439226	XWDOZBVCTXDXCS-LJQANCHMSA-N	422.437	4.387	5	1	HIBF	
Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]	142657664	ACHUVCKGUHVBPU-UHFFFAOYSA-N	414.340	4.467	5	1	HIBF	
Cc1cc(C(=O)NCC[N+](C)(C)C)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1	205648115	HUPQZQIHGRBXEW-UHFFFAOYSA-O	408.497	4.424	5	1	HIBF	
Cc1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1[N+](=O)[O-]	586998665	NQICXLWBYHRKQZ-NSCUHMNNSA-N	402.204	4.441	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1	587270669	YEINCYLWFJNFFF-UHFFFAOYSA-N	406.314	4.017	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cccc21	587391314	UYLFJSUCSZUKLJ-QHCPKHFHSA-N	416.389	4.073	5	1	HIBF	
C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587513422	SEYIGVUNPHRKGL-HSZRJFAPSA-N	409.438	4.331	5	1	HIBF	
C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-]	587104818	KALJRNITRPUSJV-UVBJJODRSA-N	402.406	4.015	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N1	587752311	QVPMGRJKAHTLKO-VOZBZGINSA-N	423.286	4.238	5	1	HIBF	
Nc1nc2oc3ccc(C4=CC[C@@H](C(F)(F)F)CC4)cc3c(=O)c2cc1C(=O)O	1857765288	BHUHKHCMVNDLAA-LLVKDONJSA-N	404.344	4.367	5	1	HIBF	
CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NC1CCCCC1	775521	RFSSTIPXVQYTOH-UHFFFAOYSA-N	415.446	4.339	5	1	HIBF	
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3[N+](=O)[O-])CC1)C2	13744629	MJYITRIIINQALM-IBGZPJMESA-N	424.497	4.269	5	1	HIBF	
Cc1ccc2nc(N3CCOCC3)c(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2c1	1772612816	BNMVDMSCYNYPSO-UHFFFAOYSA-N	417.425	4.005	5	1	HIBF	
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1	61958618	KWQJNUYCJBBNKR-UHFFFAOYSA-N	403.438	4.048	5	3	HIBF	
CCN(C)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc([N+](=O)[O-])cc1	82150154	BJRXQYSYSXMRPW-UHFFFAOYSA-N	419.485	4.107	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587719265	POHQPURKRZNKID-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587746736	KWFGRVDNVJEOTD-DYBLOJMWSA-N	422.254	4.078	5	1	HIBF	
CCN(CC)CCn1[nH]c2c3cc(O)c(Cl)cc3nc3c([N+](=O)[O-])ccc1c32	27526228	IYMKMIUOUPXDTK-UHFFFAOYSA-N	401.854	4.280	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc([N+](=O)[O-])cc1)CC2=O	587472918	OJAJEUAICBXJNL-JOCHJYFZSA-N	413.426	4.067	5	1	HIBF	
CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cccc([N+](=O)[O-])c12	587649060	OUVAVURCNLRNOB-UHFFFAOYSA-N	417.462	4.367	5	1	HIBF	
CNc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587745282	HEKUUJUFLCELDF-MGNBDDOMSA-N	408.271	4.336	5	1	HIBF	
Cc1ccc(C(=O)OC[C@@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1	34801523	RUDACOGRWLRASZ-LJQANCHMSA-N	422.359	4.468	5	1	HIBF	
O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587042431	JLNGLUPDISSGBA-CQSZACIVSA-N	409.254	4.433	5	1	HIBF	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82148886	AVVRVNFOWULVBS-DLBZAZTESA-N	423.517	4.303	5	1	HIBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587661910	TVPUVIAWGOFOLO-UHFFFAOYSA-N	406.329	4.008	5	1	HIBF	
COCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-]	587264794	KAFFXAFJWZTQPE-UHFFFAOYSA-N	415.409	4.260	5	1	HIBF	
CC(C)COc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br	587268202	OCETUDQGJUXUDW-UHFFFAOYSA-N	420.267	4.276	5	1	HIBF	
CNC(=O)c1cccc(-c2cccc(Cc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c2)c1	587233797	AQSUSXRKTIPJDE-UHFFFAOYSA-N	400.438	4.397	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(=O)c4ccccc4oc3nc1C)O2	587394611	IZISCROVTPPTHN-DEOSSOPVSA-N	400.434	4.421	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(C(c2ccccc2)c2ccccc2)CC1	95771611	LMOOVQXZFOCYOE-UHFFFAOYSA-N	405.454	4.125	5	1	HIBF	
COc1cc2c3c(c1)O[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)[C@@H](C2)C3=O	587427866	WOCTVZYUAQLPHX-SBUREZEXSA-N	420.396	4.016	5	1	HIBF	
CN1CCCN(c2ncc(-c3ccc4c(c3)ncc3c5ccccc5[nH]c43)cn2)CC1	1857555835	FBTNANQRWLBREX-UHFFFAOYSA-N	408.509	4.468	5	1	HIBF	
O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c21	27090476	VBCUCKNTKJMFBX-LLVKDONJSA-N	402.328	4.368	5	1	HIBF	
C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	27553474	JUJMXNOTAKANCC-JTQLQIEISA-N	412.229	4.409	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	587038535	ADFSDFJGLXTPCN-HIFRSBDPSA-N	419.304	4.180	5	1	HIBF	
CC(C)(C)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2n1	587270853	SAEGIJYRSUBUIV-UHFFFAOYSA-N	407.474	4.183	5	1	HIBF	
CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3cc([N+](=O)[O-])ccc23)n1	587644466	FEKZKPNNSXEDHI-UHFFFAOYSA-N	411.805	4.154	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587751142	KZIMGHPPFKEUKJ-YPMLDQLKSA-N	405.223	4.180	5	1	HIBF	
CCOc1n[nH]c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Br	586980451	ZSUURSKNWUFGLQ-UHFFFAOYSA-N	409.247	4.211	5	1	HIBF	
C[N@+]1(Cc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	261129646	KVBKUXNXDGXGGR-SETSBSEESA-O	412.557	4.375	5	1	HIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cnc(Cc2ccc(F)cc2)nc1	587946896	ZWNNGWBIYGLVMG-CQSZACIVSA-N	414.437	4.132	5	1	HIBF	
COC(=O)c1c(OC(C)=O)ccc2c1c1cc3ccccc3c(OC(C)=O)c1n2C	1663203	HXRGTDJRGNMQBN-UHFFFAOYSA-N	405.406	4.122	5	1	HIBF	
CC(C)N(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	72179331	HTPWAHXJMLJDCQ-UHFFFAOYSA-N	416.499	4.378	5	1	HIBF	
C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2N1	587127513	ZSXFBEOTFJVEKX-QTTZVWFDSA-N	400.748	4.296	5	1	HIBF	
Cc1cc(N(C)Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c([N+](=O)[O-])cc1F	587137138	PLKLUMFKMGRWTJ-UHFFFAOYSA-N	420.448	4.386	5	1	HIBF	
Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-]	587656990	OUWSOKUTJRLIGR-UHFFFAOYSA-N	421.359	4.247	5	1	HIBF	
COc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587747688	PIJDICRZRCGQCS-YPMLDQLKSA-N	409.255	4.303	5	1	HIBF	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1	586931442	UCBSDYPUFJPIBT-UHFFFAOYSA-N	422.466	4.272	5	1	HIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O	587944256	CXWCGHNIMQBUFJ-BDJLRTHQSA-N	413.377	4.245	5	1	HIBF	
CN(C)C(=O)Oc1ccc2c(c1)C=CCN(C)[C@@H]2CCOc1ccc([N+](=O)[O-])cc1	3964679	XUOUWGWIRPBWCW-OAQYLSRUSA-N	411.458	4.124	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587713964	DQMMLNWYUDSIOJ-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1	587783863	BCASWHIMRHKKQN-NEPJUHHUSA-N	416.231	4.177	5	1	HIBF	
CN(C(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1	82148614	RPNYTUDAPFQBNF-UHFFFAOYSA-N	409.490	4.278	5	1	HIBF	
O=[N+]([O-])c1cccc2ccc(C(Br)(Br)Br)nc12	84672030	QLLLYNCAUWNZSY-UHFFFAOYSA-N	424.874	4.438	5	1	HIBF	
Cc1c(-c2nc3cc(Br)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979387	BTZWWODMERCPKE-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	587040550	HYGYRFAQGUIMPT-ZIAGYGMSSA-N	419.304	4.180	5	1	HIBF	
COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587787310	NJSOGAWDCAPKBL-UHFFFAOYSA-N	418.247	4.366	5	1	HIBF	
COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	587938705	ZBUBXZUGYDVJIJ-JDNHERCYSA-N	406.236	4.079	5	1	HIBF	
O=[N+]([O-])c1ccn(CCCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1	587274718	ZTCNNDCAURQEJQ-UHFFFAOYSA-N	418.173	4.082	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c([N+](=O)[O-])cccc12	587576686	PIWGWIAFSGQMBX-NFBKMPQASA-N	403.390	4.494	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1F	587001790	QNPVRYASNKSDHG-UPHRSURJSA-N	420.194	4.314	5	1	HIBF	
Cc1onc(-c2nc3c(C)c(Cl)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080080	QMGSDNSMPFMXOC-UHFFFAOYSA-N	407.217	4.295	5	1	HIBF	
O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)n1	587273582	LZCCDRLFBMVCBN-UHFFFAOYSA-N	418.173	4.082	5	1	HIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587274762	SHJRFKIEFRVGEM-ZETCQYMHSA-N	418.173	4.253	5	1	HIBF	
CCCCOc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587277282	RZPRICHITAMXGE-JTQLQIEISA-N	408.256	4.218	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2	587390460	QIGWAIJIQLRJTM-HRAATJIYSA-N	411.414	4.455	5	1	HIBF	
O=C(NCCc1c[nH]c2ccccc12)c1csc(Nc2ccc([N+](=O)[O-])cc2)n1	1772650138	RBBCXOJEPILPML-UHFFFAOYSA-N	407.455	4.249	5	1	HIBF	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1	1857767300	ZELBZIXTJJEQFO-KRWDZBQOSA-N	409.438	4.251	5	1	HIBF	
CON1c2ccccc2[C@@]2(CN=C(SC)S2)[C@H]1Nc1ccc([N+](=O)[O-])cc1	40875344	HHLZOIYTQLVFIE-WMZOPIPTSA-N	402.501	4.076	5	1	HIBF	
CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82134542	DTJWKXUHCLOUTD-HOTGVXAUSA-N	411.506	4.064	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Br)cnc(Cl)c3[nH]2)c1	587261738	HKRIYWGOUIDMTP-UHFFFAOYSA-N	411.643	4.212	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587744340	DFQUZPMWVLGAJA-XTZNXHDOSA-N	407.239	4.129	5	1	HIBF	
COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-]	587746080	IYOCILYSOZZSMN-MLCYQJTMSA-N	409.255	4.303	5	1	HIBF	
COc1ccc(-c2c3ccc(=O)cc-3oc3cc(OP(=O)(O)O)ccc23)c(C)c1	36518232	OLWRHXNPCCRHCB-UHFFFAOYSA-N	412.334	4.353	5	1	HIBF	
Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1[N+](=O)[O-]	587661506	PSJFWUPYFGCQNM-UHFFFAOYSA-N	403.369	4.108	5	1	HIBF	
O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc([N+](=O)[O-])cc3)C2)cc1	95587300	SJZRBGHYARKVLM-WOJBJXKFSA-N	412.490	4.189	5	1	HIBF	
CN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)S(=O)(=O)c1cccnc1	586929089	RGZAFWYRGNQYEH-UHFFFAOYSA-N	402.479	4.085	5	1	HIBF	
CC(C)[C@@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	775966	UCOFZIFPGFPVRU-LLVKDONJSA-N	403.435	4.050	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1	586920705	VSLBVBQMVZIRNR-UHFFFAOYSA-N	419.768	4.117	5	1	HIBF	
COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	587934412	DLQFLJSLCPNOBO-ABKXIKBNSA-N	406.236	4.079	5	1	HIBF	
CN(C)CCCn1cc(CNc2c3ccccc3nc3c2oc2ccccc23)nn1	1772582128	PKJHIWSVYZMDJI-UHFFFAOYSA-N	400.486	4.290	5	1	HIBF	
O=Nc1c([C@@H]2C(=O)Nc3c(Br)cc([N+](=O)[O-])cc32)[nH]c2ccccc12	169722500	JLUOBEGMQQMPHV-GFCCVEGCSA-N	401.176	4.321	5	1	HIBF	
COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587044951	YASQHYLEPAQCRE-UHFFFAOYSA-N	413.173	4.370	5	1	HIBF	
O=[N+]([O-])c1cnc(/C=C/c2ccc(F)cc2)n1CCn1cc(-c2ccccc2)nn1	1857766769	YYTIRZMJKWHOFW-DHZHZOJOSA-N	404.405	4.060	5	1	HIBF	
CCCCCOc1cc([S@@](C)(=N)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12	141015236	YVZPQSCOWATEBW-NDEPHWFRSA-N	403.456	4.249	5	1	HIBF	
O=C(Nc1cccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1)c1ccc(F)cc1	587164658	YSJPJZPGBLQYDQ-UHFFFAOYSA-N	421.344	4.438	5	1	HIBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC	587573480	CEFGCHSVNIWISK-UGKGYDQZSA-N	423.377	4.021	5	1	HIBF	
O=C1c2ccccc2[C@](O)(c2ccc(Cl)cc2)N1CCc1ccc([N+](=O)[O-])cc1	66124583	JMMHDLXGGQORPD-JOCHJYFZSA-N	408.841	4.140	5	1	HIBF	
O=C(CN1[CH]C=Cc2ccccc21)c1ccc(I)c([N+](=O)[O-])c1	2356844853	FWDKRHLTKWGMCP-UHFFFAOYSA-N	419.198	4.077	5	1	HIBF	
CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049906	AFLGXDXCLKSMJN-PKOBYXMFSA-N	401.850	4.256	5	1	HIBF	
COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587744358	DKBFJIYBXYOURS-MLCYQJTMSA-N	409.255	4.303	5	1	HIBF	
Sc1nnc(Cn2c3ccc(Br)cc3c3nc4ccccc4nc32)o1	1860806	BQVVLENGRZMDJC-UHFFFAOYSA-N	412.272	4.220	5	1	HIBF	
COc1cc2c(CCN(C)C)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	40424143	HRYRXGWRJOUQSL-UHFFFAOYSA-N	404.466	4.391	5	1	HIBF	
O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(O)c3F)nc3ccc(O)c1c23	586985440	DBXDDEYKVJIWOV-UHFFFAOYSA-N	416.364	4.496	5	1	HIBF	
Cc1c(O[C@@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c1oc(=O)c1ccccc12	587562540	DZQIHXQGSNLKCU-LBPRGKRZSA-N	415.405	4.144	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	587750396	HXLKZIXDNIIBMZ-GIGQVBGESA-N	421.266	4.229	5	1	HIBF	
O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccc([N+](=O)[O-])cc1	1857560694	LXYMJKWRBHIPJE-UHFFFAOYSA-N	411.421	4.225	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587412067	HBWVCPOMNHWTGI-LIRRHRJNSA-N	418.243	4.115	5	1	HIBF	
O=[N+]([O-])c1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1F	587150584	MFVJBTFAEZHVEX-UHFFFAOYSA-N	401.579	4.000	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@](CC[N+](=O)[O-])(c2ccccc2)[C@@H]1c1ccc(F)cc1	587340495	VYOHAWSXCHPAJZ-GGAORHGYSA-N	407.397	4.453	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1F	586921429	IAKYNUXWYLFFKU-UHFFFAOYSA-N	411.414	4.251	5	1	HIBF	
O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1ccc([N+](=O)[O-])cc1	13725190	CMMPYSSGZCXFRL-UHFFFAOYSA-N	412.490	4.171	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587261858	DIIITARMYXZFMI-NSHDSACASA-N	414.374	4.039	5	1	HIBF	
CCCCOc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br	587267888	HSZIVLSWXBGQOS-UHFFFAOYSA-N	406.240	4.057	5	1	HIBF	
CCOc1ccc2[nH]c3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3c(=N)c2c1	1772582573	UKJBODIDHYFATH-UHFFFAOYSA-N	402.410	4.360	5	1	HIBF	
N=C(N)c1ccc2[nH]c(-c3cc(C(=O)O)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1	26377437	XQFSYPPKOFEDPI-UHFFFAOYSA-N	416.393	4.098	5	1	HIBF	
C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1	586957585	CDGVTSUFKBMCBY-QHCPKHFHSA-N	417.490	4.338	5	1	HIBF	
O=[N+]([O-])c1c(Br)cccc1-n1c(O)ccc1OCCc1ccccc1	587935699	FFVPPZSGPXEYGN-UHFFFAOYSA-N	403.232	4.475	5	1	HIBF	
CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1	586925938	LAPRVPLRDYSYGC-UHFFFAOYSA-N	407.879	4.493	5	1	HIBF	
COc1cc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)ccc1[N+](=O)[O-]	587263194	OGXKUDQFGKXDAV-UHFFFAOYSA-N	412.627	4.475	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1cccc(Cl)c1	169321839	SVJARBLVURQXCP-ZZLPTCMGSA-N	419.868	4.261	5	1	HIBF	
COC(=O)[C@H](CCCC(C)C)[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12	2356807090	WCWSXTPPVMTNQV-IERDGZPVSA-N	410.470	4.130	5	1	HIBF	
C[N+]1(C)CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1	72102065	YLAFBCWFVHRHHH-UHFFFAOYSA-N	402.497	4.099	5	1	HIBF	
O=[N+]([O-])c1ccc(N(Cc2ccc(Cl)cc2)n2cnnc2)cc1Br	1857608010	YFUZAMRGRLYSPI-UHFFFAOYSA-N	408.643	4.072	5	1	HIBF	
CSC1=N[C@@H]2C(=C(C)N1)C(=O)OCCCCCSc1ccc([N+](=O)[O-])cc12	137872697	WTBAXIPIIAVCBJ-INIZCTEOSA-N	407.517	4.051	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12	587644327	UVYPXBPDDAUOLT-UHFFFAOYSA-N	417.215	4.251	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	587743982	CGYUKMVJEDSILB-QGHHPUGFSA-N	409.255	4.323	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749227	CUTQDVGIXICWSL-LZVRBXCZSA-N	423.238	4.023	5	1	HIBF	
COc1ccc([C@H]2NCCc3ccc(O)cc32)cc1OCc1ccc([N+](=O)[O-])cc1	963341119	KRGBIRSKUQRNHW-HSZRJFAPSA-N	406.438	4.123	5	1	HIBF	
Nc1ccccc1Sc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1[N+](=O)[O-]	1911584493	YTFLDXFKKYCZOR-UHFFFAOYSA-N	409.423	4.279	5	1	HIBF	
Cc1ccc2c(c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@@]2(O)c1ccc(Cl)cc1	142715309	BULODUWCUFNCEF-JOCHJYFZSA-N	408.841	4.406	5	1	HIBF	
CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587512403	NMACBRPFSNLBMQ-DEOSSOPVSA-N	423.465	4.374	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587719263	POHQPURKRZNKID-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587751423	MHCAYQLENPPVGD-APBUJDDRSA-N	421.266	4.229	5	1	HIBF	
COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl	2468594	MOLTWQSIGHLFKA-BFUOFWGJSA-N	419.821	4.035	5	1	HIBF	
O=C1CC2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)Oc2c1ccc1c2CCCC1	587513472	UIIHEPUCHDJOPE-UHFFFAOYSA-N	420.465	4.114	5	1	HIBF	
CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1	587644265	SCXFPPNUMBSJBR-UHFFFAOYSA-N	417.215	4.246	5	1	HIBF	
CSc1sc(-c2nnc(S)n2-c2ccc([N+](=O)[O-])cc2)c2c1C(=O)CCC2	28354640	VVODJBYQTCNXBQ-UHFFFAOYSA-N	418.525	4.434	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)c1	653849004	VEGOJVVKTCXFEN-UHFFFAOYSA-N	419.400	4.222	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccnc(Cl)c2[nH]1	587053927	HQAZBUXDUYJJMK-ZDUSSCGKSA-N	408.245	4.300	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2	115611365	LEYAILDYSKNETJ-MRXNPFEDSA-N	405.332	4.317	5	1	HIBF	
O=[N+]([O-])c1cncc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12	587021033	IASFMMQTMFJSOH-UHFFFAOYSA-N	415.438	4.795	5	1	HIBF	
O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)nn1CC(F)(F)F	587092083	LTFCWPQPFDULCH-UHFFFAOYSA-N	424.564	4.313	5	1	HIBF	
COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587575389	JQNXCQDNLUTEDX-XMSQKQJNSA-N	407.378	4.186	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587261857	DIIITARMYXZFMI-LLVKDONJSA-N	414.374	4.039	5	1	HIBF	
O=C(c1cnc(NC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1	82149464	PTVBSOJSLALCRV-UHFFFAOYSA-N	409.490	4.423	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(C[N+](=O)[O-])[C@@H]1c1ccc(F)cc1	587341437	YQUWZAHNTOJWJU-FYYLOGMGSA-N	407.397	4.148	5	1	HIBF	
CC(C)CN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149357	BIRRVSKDQMWMAE-UHFFFAOYSA-N	411.506	4.016	5	1	HIBF	
CC(C)n1nc(C(=O)NCC2CC[N+](C)(CCc3ccccc3)CC2)c2ccccc21	95565998	XXAVYPZWYXKXSK-UHFFFAOYSA-O	419.593	4.446	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1[N+](=O)[O-]	587017889	SLNFTMKZNCOCDH-UHFFFAOYSA-N	402.779	4.218	5	1	HIBF	
COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1F	587056018	SCAWMNPZCHHKGO-QGZVFWFLSA-N	420.828	4.399	5	1	HIBF	
COc1cc(COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC	84670459	SPLKSOTTYMBHHI-UHFFFAOYSA-N	413.382	4.238	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1F	586997404	BVXCKXVWANTLLV-UPHRSURJSA-N	406.167	4.272	5	1	HIBF	
COc1c(O)c(C(=O)Nc2ccc(NC(=N)N)cc2)cc2cc3ccccc3cc12	26171984	CWHFSSWDHIQFGD-UHFFFAOYSA-N	400.438	4.265	5	1	HIBF	
COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587424929	YBKVWIIQEDUUQV-GAJHUEQPSA-N	405.381	4.434	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC)c(Cl)cc2[nH]1	587265950	YNBKXEIWJKOWPH-SNVBAGLBSA-N	419.821	4.484	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2c(C)cc(Cl)cc12	587627430	VVZUGCGCIHVCRW-UHFFFAOYSA-N	416.817	4.465	5	1	HIBF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)C(=O)c2c3ccccc3cc3cccc1c23	962926283	AVIJRBPASWCDCB-HHHXNRCGSA-N	406.485	4.280	5	1	HIBF	
COC(=O)[C@@H](CCCC(C)C)[C@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12	2356807089	WCWSXTPPVMTNQV-HRAATJIYSA-N	410.470	4.130	5	1	HIBF	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82214788	DSDOIIXFJWLXGT-KUHUBIRLSA-N	409.490	4.182	5	1	HIBF	
CO[C@@H](C)COC1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1	587952310	OPJNVBSSBWABFN-ZBOXLXRLSA-N	412.284	4.311	5	1	HIBF	
COC(=O)c1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cn1	587136096	CCWRIAKZZZXJGY-UHFFFAOYSA-N	406.373	4.434	5	1	HIBF	
Cc1cc(N(C)Cc2nc3c(C)c(Br)cnc3[nH]2)c([N+](=O)[O-])cc1F	587137340	VMDODEHXHLFQSE-UHFFFAOYSA-N	408.231	4.021	5	1	HIBF	
C[C@]1(COCc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1	1857639982	POSVQAJLVZUBDN-OAQYLSRUSA-N	411.483	4.452	5	1	HIBF	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3ccccc3Br)c[n+]12	299844654	OLMSQAFGXNZIJZ-UHFFFAOYSA-O	421.274	4.400	5	1	HIBF	
CNc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587747666	PFRJUPHDWXGYHY-XTZNXHDOSA-N	408.271	4.336	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc([N+](=O)[O-])c1C	587863276	WZZCNELCRSDAMV-UHFFFAOYSA-N	405.332	4.483	5	1	HIBF	
COc1cccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1[N+](=O)[O-]	962713097	NUWMNZXKCRNXRA-SPLOXXLWSA-N	402.491	4.370	5	1	HIBF	
O=C(O)c1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1	26503788	MTFCRDDKUHOORR-UHFFFAOYSA-N	423.402	4.373	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Br)cnc3F)[nH]c12	587177812	ARIWQJWOZCTPCW-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
O=C(Nc1ccccc1)c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	587247202	KDOPMQINWPHONO-UHFFFAOYSA-N	403.354	4.299	5	1	HIBF	
O=[N+]([O-])c1ccccc1CNc1cc(Br)c(O)c(Br)c1	1772620252	KDPUQLWIXDSXMQ-UHFFFAOYSA-N	402.042	4.438	5	1	HIBF	
O=[N+]([O-])c1ccccc1N1CCN(CC[C@H](O)c2ccc(F)c3ccccc23)CC1	1857747478	AMAVINYGGNGOJR-QHCPKHFHSA-N	409.461	4.133	5	1	HIBF	
CC1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135712	QZZDDZXGLMJDLT-UHFFFAOYSA-N	423.517	4.160	5	1	HIBF	
O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	82192413	KQGTXINPIPPQKU-IBGZPJMESA-N	408.483	4.004	5	1	HIBF	
O=[N+]([O-])c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12	586983707	BMWVUNNWNJCCTE-KRWDZBQOSA-N	401.264	4.419	5	1	HIBF	
O=C1c2ccccc2-c2cc(-c3cc4c(cc3[N+](=O)[O-])OCO4)nc3ccc(O)c1c23	586987044	JLYIHUXVBDAAIA-UHFFFAOYSA-N	412.357	4.456	5	1	HIBF	
Cc1cncc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587119456	WIWXGEFSFBTLCM-UHFFFAOYSA-N	402.336	4.105	5	1	HIBF	
CCOC(=O)Cc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1	587270928	XGZXNGWLENRADY-UHFFFAOYSA-N	402.410	4.306	5	1	HIBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OC	587573472	BZMTXSMHMLBGPO-WIYYLYMNSA-N	423.377	4.021	5	1	HIBF	
CNc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587745289	HEKUUJUFLCELDF-XTZNXHDOSA-N	408.271	4.336	5	1	HIBF	
CC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1857743626	VJRVGNMDZPKEME-UHFFFAOYSA-N	402.454	4.053	5	1	HIBF	
Nc1nc2oc3ccc(C4=CC[C@H](C(F)(F)F)CC4)cc3c(=O)c2cc1C(=O)O	1857765289	BHUHKHCMVNDLAA-NSHDSACASA-N	404.344	4.367	5	1	HIBF	
CNc1nc(CC(F)(F)F)c(-c2ccnc(Nc3cccc([N+](=O)[O-])c3)n2)s1	95603286	ZTSNAFZQMAUJCQ-UHFFFAOYSA-N	410.381	4.398	5	1	HIBF	
CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587747494	ONRWEGORXSVXLD-LZVRBXCZSA-N	422.254	4.078	5	1	HIBF	
COc1ccc2c(c1OC)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(F)F)N(C)[C@H](C)C2	962633273	UXJBEDPTRKCLDS-LRTDBIEQSA-N	406.429	4.192	5	1	HIBF	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586963062	JIRHNSARRWOVLF-JTQLQIEISA-N	424.280	4.281	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4cc([N+](=O)[O-])ccc4OC)o1)[C@@H](C2)C3=O	587430862	CFUXEUQZXJJWQG-NYHFZMIOSA-N	407.378	4.361	5	1	HIBF	
CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	26578355	MNQUJICKNQOWHX-DPEHCCBOSA-N	407.448	4.048	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@H]2CCCC[C@@H]21	587027921	ULBXQOWSDSLZBF-COXVUDFISA-N	411.487	4.003	5	1	HIBF	
CN1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)s1	28461897	NQOJXDLRUIRAHR-YHYVQYDKSA-N	408.479	4.371	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)cc(F)c3[nH]2)CC1	587270271	UJDSNGOPAJAZEW-UHFFFAOYSA-N	402.813	4.283	5	1	HIBF	
Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(I)cc1	587646231	XTQJOZOERFBVEK-UHFFFAOYSA-N	421.194	4.241	5	1	HIBF	
O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1ccc(F)cc1	1857560391	BSUNNNIRVBGNHF-UHFFFAOYSA-N	419.372	4.379	5	1	HIBF	
CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573485	CNNAZPCOQOGBTM-AVRDEDQJSA-N	423.377	4.108	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc([N+](=O)[O-])cc12	587579387	ZHGJMFQIHYXSRW-KNQAVFIVSA-N	402.362	4.485	5	1	HIBF	
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCN1CCCCC1)C2	473154945	NFSVGJLKFKEOBP-LJQANCHMSA-N	401.510	4.446	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587862561	CDNCIWFDINLENI-UHFFFAOYSA-N	403.320	4.351	5	1	HIBF	
CS(=O)(=O)c1ccc(-c2cc(/C=C\CC[N+](=O)[O-])nn2C2CCCCC2)cc1	95553102	XTCJVCGAYYRVBO-ALCCZGGFSA-N	403.504	4.139	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](Cn1cc([N+](=O)[O-])cn1)(c1ccccc1)CC2=O	587469785	FOCFGPWTAFRPJR-JOCHJYFZSA-N	407.426	4.010	5	1	HIBF	
Cn1ccnc1[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587511552	HOLKGDZNJVNFFQ-QHCPKHFHSA-N	403.438	4.116	5	1	HIBF	
CC(=O)OCOC(=O)c1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	1857550604	NYXWKYXMZFZJNF-UHFFFAOYSA-N	413.411	4.139	5	1	HIBF	
COC(=O)[C@@H]1CCCN(Cc2cc3cc4c(cc3c3cc(OC)ccc23)OCO4)C1	43012202	ZIILVVBPMAUITD-OAHLLOKOSA-N	407.466	4.115	5	1	HIBF	
C[C@]1(c2cc([N+](=O)[O-])ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587339736	URKVEAWJCJGJTK-IFMALSPDSA-N	408.385	4.296	5	1	HIBF	
COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cc1O	587787604	WEWJCUWHDJDYGU-UHFFFAOYSA-N	406.354	4.428	5	1	HIBF	
C[C@@H](C(=O)O)N(Cc1ccccc1Cl)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	10450443	XKIUMUVKYCUVAG-JTQLQIEISA-N	411.823	4.139	5	1	HIBF	
CCCCCC[C@@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	40878293	SOKLNJHTUUKGKZ-UXHICEINSA-N	424.497	4.158	5	1	HIBF	biogenic
O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)nn1CC(F)(F)F	587093311	ZWQSEUMCUXCESR-UHFFFAOYSA-N	424.564	4.313	5	1	HIBF	
C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587342901	QIRRJECCIURWEM-REWPJTCUSA-N	421.380	4.440	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc([N+](=O)[O-])cc1	587863249	WBEQSAIQFDZQTN-UHFFFAOYSA-N	405.332	4.369	5	1	HIBF	
CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(NCCN)ccc1c32	29329590	BFMGZJNYFLEXDH-UHFFFAOYSA-N	411.575	4.125	5	1	HIBF	
COCCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc([N+](=O)[O-])cc2)n1	82221458	KOBIYEQBEIVNCK-UHFFFAOYSA-N	407.455	4.387	5	1	HIBF	
CCS(=O)(=O)c1cccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1	586921699	LIVZYTDRPWKSLS-UHFFFAOYSA-N	402.479	4.044	5	1	HIBF	
CCS(=O)(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1	586979932	KWUPGSNPIJQNLJ-UHFFFAOYSA-N	424.276	4.003	5	1	HIBF	
O=c1cc(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc12	1911579174	MYQQBJVSEOINOG-UHFFFAOYSA-N	422.418	4.169	5	1	HIBF	
CCCCS(=O)(=O)N[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C	586933200	NKODIAYITKFWLN-INIZCTEOSA-N	411.531	4.076	5	1	HIBF	
CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(F)(F)C1	587132020	HGEJXQWSWPVLGK-QMMMGPOBSA-N	402.785	4.094	5	1	HIBF	
COC(=O)c1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2n1	587137259	WGVBAFRGYRHFPB-UHFFFAOYSA-N	406.373	4.434	5	1	HIBF	
CCCCOc1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-]	963634086	JAORKPVDEPLXIA-JLCFBVMHSA-N	400.475	4.415	5	1	HIBF	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149139	XGEBPERFHMYZOK-HOTGVXAUSA-N	411.506	4.159	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3ncc(Br)cc3F)[nH]c12	587154786	FANORWVYBZSPPH-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CCOCC1	4216521	BYNFQQVUTDNTGC-MOPGFXCFSA-N	423.897	4.121	5	1	HIBF	
CN1CCN(CCn2c3c4ccccc4ccc3c3oc(=O)c4ccccc4c32)CC1	22859471	HCNLLAKQOTZPTE-UHFFFAOYSA-N	411.505	4.302	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)ccnc2[nH]1	587056901	VWDIJCALNHEWCT-ZDUSSCGKSA-N	408.245	4.300	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(O)c2[nH]1	587266935	QNMBPCPZMHQXSS-ZETCQYMHSA-N	422.195	4.021	5	1	HIBF	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](n1ccc([N+](=O)[O-])n1)CCC3	586987900	UQFLFENVYHTSLI-MRXNPFEDSA-N	412.405	4.182	5	1	HIBF	
CCOc1cc(C=O)c(OCC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C	587943545	HMNCAVCSQBVQQX-UHFFFAOYSA-N	415.215	4.205	5	1	HIBF	
Cc1c(O)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)nc1[C@H](C)c1c(F)cccc1F	653735939	DNCWMRHCYMZWGC-GFCCVEGCSA-N	414.412	4.465	5	1	HIBF	
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccc(Cl)cc4)cc3c(=O)c2c1	34842316	CNDPKYJPTYLDKN-UHFFFAOYSA-N	410.882	4.440	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1[N+](=O)[O-]	587116005	JGHIOZLUMVWRSR-UHFFFAOYSA-N	404.264	4.008	5	1	HIBF	
COCCOc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1[N+](=O)[O-]	587265353	PAJZHFYINTXHEU-UHFFFAOYSA-N	410.199	4.065	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587749068	WWAYCGRRXCBWBS-XYZCENFISA-N	424.226	4.202	5	1	HIBF	
CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1	82135621	KQQCRIHHOCUADF-UHFFFAOYSA-N	419.485	4.074	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587418240	OBFMYAAQCASWQY-KSSFIOAISA-N	404.216	4.029	5	1	HIBF	
N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587000933	PHKGXWMRPDJUMZ-LBPRGKRZSA-N	418.226	4.097	5	1	HIBF	
Cc1c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)nnn1Cc1ccc(Cl)cc1	587073101	BECQMDCNWPZABV-UHFFFAOYSA-N	403.229	4.393	5	1	HIBF	
COc1cc(F)c([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-]	962714755	SVEKREUCMFPOLM-YUNKPMOVSA-N	406.454	4.335	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](Cn1cc([N+](=O)[O-])cn1)(c1ccccc1)CC2=O	587469786	FOCFGPWTAFRPJR-QFIPXVFZSA-N	407.426	4.010	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587719269	POHQPURKRZNKID-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
O=C(O)CC[C@]1(c2cccc([N+](=O)[O-])c2)c2ccsc2CCN1Cc1ccco1	962704117	IONROBXITQUXSB-NRFANRHFSA-N	412.467	4.416	5	1	HIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCNc1ccnc2cc(Cl)ccc12	95596772	DBGSDJHYOADFCH-RUDMXATFSA-N	410.861	4.428	5	1	HIBF	
NCCCN1CCN(CCCNCc2ccc3ccc4cccc5ccc2c3c45)CC1	26472797	UAEMAUGXBRXZKV-UHFFFAOYSA-N	414.597	4.030	5	1	HIBF	
O=C(c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCC1	82148805	IKRPULOMSJSSLR-UHFFFAOYSA-N	409.490	4.280	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82149910	BPWDSPAVXPYHNH-OWCLPIDISA-N	411.506	4.062	5	1	HIBF	
COc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587747636	PBGDWSWNXTZAJX-WYRIXSBYSA-N	423.282	4.497	5	1	HIBF	
COc1cccc(Nc2cc3c(cc2[N+](=O)[O-])C(=O)N(c2ccc(C)cc2)C3=O)c1	4686364	ZYXSVAGAAXMGKK-UHFFFAOYSA-N	403.394	4.456	5	1	HIBF	
O=[N+]([O-])c1ccc(COC[C@@H](Cn2cncn2)c2ccc(Cl)cc2Cl)cc1	103288437	OTOZWSQNSIFZJW-CQSZACIVSA-N	407.257	4.494	5	1	HIBF	
O=[N+]([O-])c1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Cl	587047559	KVWDCTZJEHWMRO-CLFYSBASSA-N	422.832	4.354	5	1	HIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(C)(C)C)c2[nH]1	587266261	KCERCVCDOQWEQB-DIFFPNOSSA-N	413.434	4.211	5	1	HIBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(OCc3ccccc3)c2[nH]1	587270484	ZPBQCDWYQOPZRN-UHFFFAOYSA-N	403.394	4.442	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587748588	ABWRNHGUIGAOEV-XTZNXHDOSA-N	407.239	4.057	5	1	HIBF	
C[C@@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	28018414	NNGHXINSFWJBBD-MRXNPFEDSA-N	418.368	4.235	5	1	HIBF	
O=c1c2ccc(F)cc2ncn1CCCCCCCCCCn1cnc([N+](=O)[O-])c1	473112249	BUAUSVWGOCRJTC-UHFFFAOYSA-N	415.469	4.461	5	1	HIBF	
COCCNc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1[N+](=O)[O-]	587262298	QGAYICMQMXWQAV-UHFFFAOYSA-N	405.252	4.267	5	1	HIBF	
CCCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587277397	VGQZXSBAZZFFBQ-SNVBAGLBSA-N	408.256	4.023	5	1	HIBF	
CC(C)(C)OC(=O)N[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C1CCCC1	587226056	OLVFIHOQNKGJRP-OAHLLOKOSA-N	405.411	4.135	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12	587075997	NOLPOFXMWBNBCH-UHFFFAOYSA-N	419.626	4.135	5	1	HIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(C)(C)C)c2[nH]1	587266267	KCERCVCDOQWEQB-PIGZYNQJSA-N	413.434	4.211	5	1	HIBF	
CCCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587277396	VGQZXSBAZZFFBQ-JTQLQIEISA-N	408.256	4.023	5	1	HIBF	
CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587746740	KWFGRVDNVJEOTD-YYSFKGJASA-N	422.254	4.078	5	1	HIBF	
CN(C)C(=O)Cc1cn(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)c(Cl)c1	26579041	LASOUOKEPQZBEZ-UHFFFAOYSA-N	419.268	4.385	5	1	HIBF	
COc1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587054439	KPVOUGAHGYCDAY-QGZVFWFLSA-N	402.838	4.260	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12	587170363	PLITUESUOOYVDC-UHFFFAOYSA-N	418.431	4.140	5	1	HIBF	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587579102	YJWRZBUWKMNOPX-QRWLVFNGSA-N	423.425	4.034	5	1	HIBF	
COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-]	587747991	RESIGDJUBDVFEV-MLCYQJTMSA-N	409.255	4.303	5	1	HIBF	
COc1cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1	587144480	ZXAGAWLHRJWVFB-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587422150	NUTVBXGKEAOAEH-LIRRHRJNSA-N	423.343	4.251	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587432694	KTZPYUJHRBOJBK-GAJHUEQPSA-N	408.454	4.257	5	1	HIBF	
O=C(COc1ccccc1)N1CCCC[C@@H]1c1ncc(-c2cccc([N+](=O)[O-])c2)o1	299857655	OJVILWGSTLHHJO-LJQANCHMSA-N	407.426	4.382	5	1	HIBF	
COc1cccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12	587118947	SGPXQDZFGIQWBU-UHFFFAOYSA-N	417.347	4.410	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc([N+](=O)[O-])c1)CC2=O	587468676	CNPPOYUZPUDGKP-JOCHJYFZSA-N	413.426	4.067	5	1	HIBF	
COc1ccc(NCc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1OC	95808146	YSDXTLJACDZSTP-UHFFFAOYSA-N	407.426	4.476	5	1	HIBF	
COc1ccc(OCc2cn(Cc3cc(=O)oc4c3ccc3ccccc34)nn2)cc1	653766935	IRCRVCAQMOTTHQ-UHFFFAOYSA-N	413.433	4.174	5	1	HIBF	
CN(C)CCCNc1nc2cc([N+](=O)[O-])ccc2nc1NCc1ccc(Cl)cc1	1857594278	RFMMHPAHSXBFPS-UHFFFAOYSA-N	414.897	4.167	5	1	HIBF	
CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12	587648725	KIERWXPPZANOMG-CYBMUJFWSA-N	417.462	4.367	5	1	HIBF	
COCCNc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)cc1[N+](=O)[O-]	587262002	LOFAKRQKPBBFIL-UHFFFAOYSA-N	409.215	4.098	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)O2	587386161	SRIUACWMCKPPNR-QFIPXVFZSA-N	407.401	4.116	5	1	HIBF	
C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587574664	GFCUHDLPIWEVFS-WIYYLYMNSA-N	422.349	4.086	5	1	HIBF	
CCCc1[nH]nc2c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(nc3c(c1N)CCCC3)O2	1772656870	DALNRIBHJKCQKM-QGZVFWFLSA-N	405.458	4.412	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1	586999746	BIMGGDKVTKJCNQ-DAFODLJHSA-N	402.204	4.175	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1	1857611362	RZMRICLCHNGISZ-SJLPKXTDSA-N	405.863	4.150	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12	586999807	CAFIQTKVKBEQFV-SNAWJCMRSA-N	402.204	4.175	5	1	HIBF	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587113604	QLMORLSTXGIHON-KRWDZBQOSA-N	410.327	4.029	5	1	HIBF	
C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2N1	587127514	ZSXFBEOTFJVEKX-SREIQFSDSA-N	400.748	4.296	5	1	HIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3ccccc3cc2[nH]1	587266031	IPRVKBABXJISFW-WYRIXSBYSA-N	407.386	4.067	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccc([N+](=O)[O-])cc12	587575688	KHDMWRSZUCNXQC-NFBKMPQASA-N	403.390	4.494	5	1	HIBF	
CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O	587631431	LZRKCXOKKUAQQZ-UHFFFAOYSA-N	420.780	4.290	5	1	HIBF	
CC(C)Oc1cc2ncnc(Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c2c1OCCO2	653859671	MBMAILZVMBYPRI-UHFFFAOYSA-N	416.821	4.493	5	1	HIBF	
Cc1cccc2c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@@]2(O)c1ccc(Cl)cc1	143088938	WBYUHAACXZNOQH-JOCHJYFZSA-N	408.841	4.406	5	1	HIBF	
CC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587746307	JMPNZNNAFZUOCV-WLRWDXFRSA-N	421.266	4.253	5	1	HIBF	
COc1cc(C(=O)OCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC	84712638	FWNWCOVZKQLXHD-UHFFFAOYSA-N	413.382	4.238	5	1	HIBF	
CCOc1cc(/C=C\c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Br)c1OC	586978579	XLOXGHZYBMSVHX-PLNGDYQASA-N	419.235	4.206	5	1	HIBF	
O=[N+]([O-])c1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Cl	587047560	KVWDCTZJEHWMRO-VQHVLOKHSA-N	422.832	4.354	5	1	HIBF	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2c1	587160598	XKEWVHSTWGWPCD-UHFFFAOYSA-N	408.183	4.216	5	1	HIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-]	587261339	BCKQQCXGCUJRLN-JEZHCXPESA-N	423.313	4.261	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587656600	GXFBJMJYRAOBEV-UHFFFAOYSA-N	423.787	4.453	5	1	HIBF	
O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1	962925591	WEWOQDJAADILON-LPHOPBHVSA-N	416.792	4.336	5	1	HIBF	
Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)c5coc6cc([N+](=O)[O-])ccc56)(C4)C2)C3)n1	587279561	LLTAGUPRHYEJHY-RNXMBNEDSA-N	421.457	4.204	5	1	HIBF	
Brc1cnc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cnn2c1	587009308	ZOKPQTFMEWBNMV-UHFFFAOYSA-N	416.242	4.132	5	1	HIBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1	587660390	CIBUXGXBYOQZNK-UHFFFAOYSA-N	420.425	4.356	5	1	HIBF	
O=C(CSc1nncnc1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-]	95558664	MOFXWOKMPJFISZ-UHFFFAOYSA-N	417.450	4.331	5	1	HIBF	
Cc1c(Cl)ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12	586925393	HSEFEAXMZDIXRD-UHFFFAOYSA-N	400.243	4.157	5	1	HIBF	
Cc1cc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2cc1[N+](=O)[O-]	586960803	PMLYLWCRWMYXFW-RUZDIDTESA-N	422.304	4.282	5	1	HIBF	
C[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	587275661	FLIPFMNAFDYOMT-ZCFIWIBFSA-N	404.146	4.058	5	1	HIBF	
CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587574372	FZYPNPFQVIZFLT-KNQAVFIVSA-N	406.394	4.219	5	1	HIBF	
COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-]	587576291	NYIYTBWSMNDWSI-DENIHFKCSA-N	407.378	4.186	5	1	HIBF	
CN(C)C[C@H]1Cc2cccc3c4c5c(c6c7ccccc7[nH]c6c4n(c23)C1)C(=O)NC5=O	14945625	KQTRPQULIVKASA-CYBMUJFWSA-N	422.488	4.047	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1	587262423	RZZMIFOVMQVEPP-UHFFFAOYSA-N	403.442	4.232	5	1	HIBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cc(F)ccc2F)cc1	13584398	RMPWNHZZWUQBTL-UHFFFAOYSA-N	413.409	4.353	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)CC2=O	587455483	CIGIWJIVUCGXAL-INIZCTEOSA-N	422.231	4.428	5	1	HIBF	
C[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276052	ILMOGXCDBFWXFB-ZCFIWIBFSA-N	404.146	4.058	5	1	HIBF	
O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCCNc1ccnc2cc(Cl)ccc12	95595968	MVNLUYZDQCPZRK-RMKNXTFCSA-N	410.861	4.428	5	1	HIBF	
CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149808	GYIVVOUKMKKPMK-XHSDSOJGSA-N	411.506	4.380	5	1	HIBF	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586963063	JIRHNSARRWOVLF-SNVBAGLBSA-N	424.280	4.281	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714952	GPGJHNQAMWOWBF-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587723625	YCCUIUKNECERKI-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
CC(C)Oc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)cc1	45284636	PQZOKFWYISKZAP-FQEVSTJZSA-N	409.442	4.223	5	1	HIBF	
COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@H](O)[C@]1(C)CCCN1C3	14593906	GLTPZLWULMGGJK-ZEQRLZLVSA-N	409.482	4.126	5	1	HIBF	biogenic
NC(=O)c1ccc(C[n+]2c(-c3ccccc3)c3cc(N)ccc3c3ccc(N)cc32)cc1	28821307	ZHGWOKHBKGWYKM-UHFFFAOYSA-O	419.508	4.259	5	1	HIBF	
Cc1c(Br)ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12	587118008	ZCLFRCHCNXQSHM-UHFFFAOYSA-N	418.173	4.114	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(Br)c2[nH]1	587264602	IPRRZVMPICAIFS-ZETCQYMHSA-N	424.186	4.454	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2	587390468	QIGWAIJIQLRJTM-IERDGZPVSA-N	411.414	4.455	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc([N+](=O)[O-])cc12	587575691	KHDMWRSZUCNXQC-REWPJTCUSA-N	403.390	4.494	5	1	HIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-]	587871612	KZCRITDXMPWMAH-CQSZACIVSA-N	413.405	4.412	5	1	HIBF	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1cccc(Cl)c1	587071989	RNUUABPMOLEWLG-CQSZACIVSA-N	417.853	4.328	5	1	HIBF	
CN(C)CCOc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1	587110117	SLCMGUQQBLAREX-UHFFFAOYSA-N	408.380	4.021	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1cc4c(=O)c5ccccc5oc4nc1C)[C@@H](C2)C3=O	587435565	HDEQNJNTPWXFCI-BVZFJXPGSA-N	413.429	4.321	5	1	HIBF	
CN(C)CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O	13554119	PZTHAMCOXITDIY-UHFFFAOYSA-N	410.477	4.264	5	1	HIBF	
CN(C)CCNC(=O)c1cccc2c1nc(-c1ccc([N+](=O)[O-])cc1)c1ccccc12	27861223	RJUPXJPMVZMBBP-UHFFFAOYSA-N	414.465	4.255	5	1	HIBF	
CN(c1ccc([N+](=O)[O-])cc1OCc1ccc(-c2ccccc2)cc1)S(C)(=O)=O	35324678	LIORYACNDVKSML-UHFFFAOYSA-N	412.467	4.237	5	1	HIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc([N+](=O)[O-])c1O	587865746	HMNXERDKIPWWNL-UHFFFAOYSA-N	421.331	4.270	5	1	HIBF	
CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCC	4213805	LZTZEZPAANKXGQ-UXHICEINSA-N	419.478	4.254	5	1	HIBF	
O=C(O)/C(=C/c1ccc(Oc2ccccc2[N+](=O)[O-])cc1)NC(=O)c1ccccc1	28522415	INUPZCYXIGPGEM-JXAWBTAJSA-N	404.378	4.243	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12	586912089	CYBNSLFFPVJABZ-UHFFFAOYSA-N	418.247	4.036	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1	1857611360	RZMRICLCHNGISZ-AEFFLSMTSA-N	405.863	4.150	5	1	HIBF	
Cc1cc(C)cc(-c2c(OC[C@H]3CCCN(C)C3)c3ccc([N+](=O)[O-])cc3[nH]c2=O)c1	26579353	FFBZPYTZFNIKPI-KRWDZBQOSA-N	421.497	4.441	5	1	HIBF	
O=c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(-c3cccs3)c(C(F)(F)F)[nH]n12	169724623	KCZWPPJCFIBGQV-UHFFFAOYSA-N	406.345	4.345	5	1	HIBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587341462	YVJFNJDVRVWQAI-FYYLOGMGSA-N	423.396	4.340	5	1	HIBF	
CC(C)OC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12	29229101	BRRSSHDHRPOLFQ-NRFANRHFSA-N	406.438	4.041	5	1	HIBF	
CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1	82134690	HYPLYQPFRSUHEM-UHFFFAOYSA-N	411.506	4.016	5	1	HIBF	
O=Nc1c([C@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2ccc(Br)cc12	169722503	VBOZZVDANBDMIW-ZDUSSCGKSA-N	401.176	4.321	5	1	HIBF	
COc1cccc(Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)c1	13584430	VPYZLOJCDDJBPX-UHFFFAOYSA-N	407.455	4.084	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2	115611364	LEYAILDYSKNETJ-INIZCTEOSA-N	405.332	4.317	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1cccc(Cl)c1	299849746	SVJARBLVURQXCP-YYTDSSBASA-N	419.868	4.261	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1F	587018076	SKMYSYHBBWASSW-UHFFFAOYSA-N	406.402	5.026	5	1	HIBF	
CCCOc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br	587266908	CKXKIHRXLVNHEB-UHFFFAOYSA-N	422.283	4.391	5	1	HIBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)cc(Br)c2[nH]1	587269854	RQHSTJFIHZNYNX-UHFFFAOYSA-N	410.611	4.279	5	1	HIBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Br)cc1[N+](=O)[O-]	587869224	DBZPCHBWGKPJNS-UHFFFAOYSA-N	407.199	4.143	5	1	HIBF	
Cc1ccc2c(=O)c3c(O)cc(OCCCCCCCO[N+](=O)[O-])cc3oc2c1	1857635724	AMBGTLXQHDNOQT-UHFFFAOYSA-N	401.415	4.498	5	1	HIBF	
COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCCC(C)C)cccc3nc12	40875352	YNVFQWRFLIXGIL-UXHICEINSA-N	424.497	4.013	5	1	HIBF	biogenic,in-vitro
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134632	DZFQJUDFPGERKC-UZLBHIALSA-N	423.517	4.351	5	1	HIBF	
O=C(/C=C\c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1	587167112	MPPZAJMMUCYDLZ-WAYWQWQTSA-N	405.183	4.025	5	1	HIBF	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccco2)n2c(nc3ccccc32)N1	64755258	OEKPLWPNYNEVON-FQEVSTJZSA-N	415.409	4.465	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1	169321822	DQQZRPVDWCWBJK-ZZLPTCMGSA-N	419.868	4.261	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587412510	IMOVNKZQCGGRHX-SGTLLEGYSA-N	404.216	4.029	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587719271	POHQPURKRZNKID-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])cc1OC	653708481	OPUSLQLRQWDHEE-FQEVSTJZSA-N	424.409	4.463	5	1	HIBF	
COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cccc([N+](=O)[O-])c3)o1)CC2	1857745272	RNILSUOZRDZAJW-UHFFFAOYSA-N	408.410	4.071	5	1	HIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12	587092091	RRJZDGPVXQKKGO-UHFFFAOYSA-N	406.242	4.493	5	1	HIBF	
CN(C)CCCNc1c2ccccc2nc2c1oc1cc(OCCN(C)C)ccc12	1772631716	JSPKSCFWXXBQJX-UHFFFAOYSA-N	406.530	4.438	5	1	HIBF	
Cc1c(-c2nc3cncc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980376	WQOOFKDPOQHARX-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587042429	JLNGLUPDISSGBA-AWEZNQCLSA-N	409.254	4.433	5	1	HIBF	
COc1cc(NS(C)(=O)=O)ccc1NCc1c2ccccc2nc2ccccc12	5497369	NMDJDNDZHVPDQQ-UHFFFAOYSA-N	407.495	4.380	5	1	HIBF	
O=[N+]([O-])c1cc2c(cc1-c1sc(Nc3ccccc3)n[n+]1-c1ccccc1)OCO2	29063179	TYYVAWPJHZGWRB-UHFFFAOYSA-N	419.442	4.467	5	1	HIBF	
C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1	586957584	CDGVTSUFKBMCBY-HSZRJFAPSA-N	417.490	4.338	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587751138	KZIMGHPPFKEUKJ-MLCYQJTMSA-N	405.223	4.180	5	1	HIBF	
CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@H]1CCCC[C@H]1O	775608	IATKJXJQZTWSJL-DZGCQCFKSA-N	421.881	4.234	5	1	HIBF	
Cc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c3c(sc2n1)CCCC3	4660044	VBNJQRNHPDRYPH-UHFFFAOYSA-N	409.515	4.113	5	1	HIBF	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1	82147839	TXOVLQGYGYJIGE-KUHUBIRLSA-N	409.490	4.182	5	1	HIBF	
Cc1cc(C)cc(COc2ccccc2C(=O)OCCn2c([N+](=O)[O-])cnc2C)c1	473120535	OBQIAPNWFNBHCN-UHFFFAOYSA-N	409.442	4.153	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@](CC[N+](=O)[O-])(c2ccccc2)[C@H]1c1ccc(F)cc1	587340500	VYOHAWSXCHPAJZ-GMAHTHKFSA-N	407.397	4.453	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(CCOc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(F)cc1	587344170	WCRHRKLUOGOXQG-GMAHTHKFSA-N	421.380	4.476	5	1	HIBF	
CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586972299	GSNMWHHAUANBBT-MRXNPFEDSA-N	404.879	4.235	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82135745	JNYSRKXKWZPCEV-OWCLPIDISA-N	411.506	4.062	5	1	HIBF	
CCn1cc(Br)c(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)n1	587000724	PUVYQCGIASIOMO-UHFFFAOYSA-N	407.275	4.229	5	1	HIBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Br)cnc(Cl)c2[nH]1	587159207	MTDWQVZDXSHPDJ-UHFFFAOYSA-N	401.579	4.000	5	1	HIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)cc2[nH]1	587267132	UQNCATJQOWQLNB-ADLMAVQZSA-N	413.434	4.211	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587745432	HGJUTRONPQSFLA-BCTVWOGZSA-N	410.199	4.028	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587748465	UXKAGJJZSIMLMR-XTZNXHDOSA-N	408.271	4.186	5	1	HIBF	
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4Cl)cc3c(=O)c2c1	34842318	KYVJDVAPIXMYGC-UHFFFAOYSA-N	410.882	4.440	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)nc1C(F)(F)F	587117517	FCPMKJQWNPSAEN-UHFFFAOYSA-N	422.754	4.450	5	1	HIBF	
CC1=C(c2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)NNC(=O)C1	587265216	PUJSBRQUENELAY-UHFFFAOYSA-N	415.409	4.154	5	1	HIBF	
CC(C)N(C(=O)COc1c(F)cc(-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-])C(C)C	3936958	HQIQKGSSVPSZBL-UHFFFAOYSA-N	418.421	4.123	5	1	HIBF	
COc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1	587260765	DDCBUQPTWGMSGU-UHFFFAOYSA-N	414.162	4.196	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc([N+](=O)[O-])cn3ccnc13)O2	587390447	QGFUPGNLIHVALU-HSZRJFAPSA-N	414.421	4.042	5	1	HIBF	
O=[N+]([O-])c1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1[N+](=O)[O-]	587076964	OFEFKVBMJXBPHL-HNNXBMFYSA-N	401.810	4.370	5	1	HIBF	
N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587175153	RCLSIVUTOPBFFA-LBPRGKRZSA-N	418.226	4.097	5	1	HIBF	
CCOc1ccc(C(=O)CN2C=C[C](Cc3ccc([N+](=O)[O-])cc3)C=C2)cc1[N+](=O)[O-]	2356842438	AMAHWFUWLHSKGV-UHFFFAOYSA-N	422.417	4.245	5	1	HIBF	
CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587747493	ONRWEGORXSVXLD-DYBLOJMWSA-N	422.254	4.078	5	1	HIBF	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1	103995402	SXCFPTBHIGTZMZ-UZLBHIALSA-N	412.442	4.125	5	1	HIBF	
CCCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC)C(C)=N1	169723418	JNFKJKFQCOKNLJ-OALUTQOASA-N	416.474	4.340	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1	587862506	BOGFYRMDKUBQDB-UHFFFAOYSA-N	421.331	4.074	5	1	HIBF	
Cc1nn(C(=O)Cc2ccccc2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SC(=N)N2	6483908	UIWGFTMBLUGWKZ-SFHVURJKSA-N	407.455	4.165	5	1	HIBF	
CN(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1	28957245	DCVRZNGVYDVFLV-UHFFFAOYSA-N	417.425	4.167	5	1	HIBF	
O=C1S/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)C(=O)N1c1ccc(Cl)cc1	96933789	HXRRNODZBZZOJL-BUHFOSPRSA-N	401.787	4.461	5	1	HIBF	
O=C1C[C@H](c2ncc(Br)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1	587499172	RRPHDPVLYIAMOH-MRXNPFEDSA-N	403.232	4.338	5	1	HIBF	
COc1cc2c(ccc3c(CCN(C)C)c(Br)c(O)c(OC)c32)cc1O	103170574	DJMGFTGWQJZQEM-UHFFFAOYSA-N	420.303	4.288	5	1	HIBF	
CC(C)(C)OC(=O)N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1	587071421	MJVGHEOIFBINFY-CYBMUJFWSA-N	417.853	4.328	5	1	HIBF	
O=[N+]([O-])c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)nn1CC(F)(F)F	587093127	VZDNKQJIHWUZKC-UHFFFAOYSA-N	417.347	4.476	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(I)c3[nH]2)c1	587261555	CSCYGXNASANGME-UHFFFAOYSA-N	423.210	4.006	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc([N+](=O)[O-])cc1)(c1cccc([N+](=O)[O-])c1)O2	587391781	YVOZALRHHAPQNS-JOCHJYFZSA-N	419.393	4.303	5	1	HIBF	
O=C(Nc1ccccc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	261102405	GRNCAVATSDTDAF-UHFFFAOYSA-N	408.395	4.469	5	1	HIBF	
CN(C)CCCn1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2cc(Cl)ccc2c1=O	299864484	RKPPQNHWZLTHLB-JXMROGBWSA-N	412.877	4.080	5	1	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC	653717464	LBBNRFJTFDZISK-FQEVSTJZSA-N	424.409	4.463	5	1	HIBF	
CN1C(=O)C[C@@H]2CN[C@@](Cc3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32	963023865	IKCATUGSIVRKJP-CJAUYULYSA-N	413.477	4.134	5	1	HIBF	
CCC1=CN(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)[C](C)C=C1	2356827493	STEXUZWIFDSPGO-UHFFFAOYSA-N	411.219	4.100	5	1	HIBF	
CCN(CC)c1cc(Nc2c3ccc(Cl)cc3nc3nc(N)nc(N)c23)ccc1O	28361786	VCTSOVGFJNBLPZ-UHFFFAOYSA-N	423.908	4.291	5	1	HIBF	
CC(C)(C)OC(=O)N1O[C@H]2CC[C@@H]1C21CCN(c2ccc([N+](=O)[O-])cc2F)CC1	84669104	AZWODWZPINLTHK-SJORKVTESA-N	407.442	4.034	5	1	HIBF	
CC(C)S(=O)(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1	586950174	BPUXWFPLGIWRPC-UHFFFAOYSA-N	417.494	4.476	5	1	HIBF	
O=[N+]([O-])c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1	587092736	ZSOUZNCXDJROKA-UHFFFAOYSA-N	406.242	4.493	5	1	HIBF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587193504	BWWDGNSQBSHKAQ-MRXNPFEDSA-N	420.517	4.177	5	1	HIBF	
CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587114286	YKUUIADGZZJPHG-SFHVURJKSA-N	406.364	4.198	5	1	HIBF	
O=C1C[C@@H](c2cc(=O)oc3c2ccc2ccccc23)c2c(c3ccccc3oc2=O)O1	1857631057	BXPBYSQBUBUIGD-SFHVURJKSA-N	410.381	4.494	5	1	HIBF	
COC(=O)[C@@H](CCCC(C)C)[C@@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12	2356807092	WCWSXTPPVMTNQV-KKSFZXQISA-N	410.470	4.130	5	1	HIBF	
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)nc1	45300796	XUDNTHLISSSGKB-XCVCLJGOSA-N	419.372	4.035	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587267350	JFEWGHGSHYOUKL-ZETCQYMHSA-N	418.173	4.367	5	1	HIBF	
COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c([N+](=O)[O-])c1	40848488	PFJMENUJRILQMQ-UHFFFAOYSA-N	420.454	4.002	5	1	HIBF	
CC1(C)C=Cc2cc3c(=O)c4c(O)c5c(c(O)c4oc3c(O)c2O1)OC(C)(C)C=C5	238746472	AODAQURCQUEPRH-UHFFFAOYSA-N	408.406	4.431	5	1	HIBF	
Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C)c1[N+](=O)[O-]	587267390	JWTUPSKQGUEMAB-UHFFFAOYSA-N	419.441	4.161	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587720093	MNLUGZJXOLUVJB-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587574646	GDFTYQQCGONPQM-CVDCTZTESA-N	419.389	4.112	5	1	HIBF	
COc1ccc2[nH]c3c(C(=O)NCCN(C)C)cc4c5ccccc5[nH]c4c3c2c1	1857598430	CJENZWNMNPDEJL-UHFFFAOYSA-N	400.482	4.256	5	1	HIBF	
C[C@@]12C[C@H](NC(=O)N1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O2	101104407	RNWBZSJFQLJKPG-WMLDXEAASA-N	404.220	4.127	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3ncccc3c2[nH]1	587263247	KWUDDYQKXKZLIF-GFCCVEGCSA-N	406.398	4.371	5	1	HIBF	
O=[N+]([O-])c1ccccc1N1CCN(CC[C@@H](O)c2ccc(F)c3ccccc23)CC1	1857747477	AMAVINYGGNGOJR-HSZRJFAPSA-N	409.461	4.133	5	1	HIBF	
COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1	587783867	BCASWHIMRHKKQN-NWDGAFQWSA-N	416.231	4.177	5	1	HIBF	
Cn1cc(C(=O)O)c(=O)c2c3cc(N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c(F)cc3ncc21	28762861	OSZVCYVJSWBKGW-RZFZLAGVSA-N	423.488	4.329	5	1	HIBF	
CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@@H](O)C[N+](C)(C)C	299829625	HSTMQVALRULKGG-BKRIMNEDSA-N	416.626	4.431	5	1	HIBF	
C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CCCC1OCCO1	587646694	HKSKLXQUXCFLBZ-CYBMUJFWSA-N	419.478	4.357	5	1	HIBF	
CCCOc1ccc2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2c1	1663034	RMVOEFKIZWQJAB-UHFFFAOYSA-N	402.388	4.154	5	1	HIBF	
Cc1nc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2cc1Br	587268757	DESSBACTCBPPIM-UHFFFAOYSA-N	402.252	4.204	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)cc1[N+](=O)[O-])CC2=O	587458534	KQUCFNPOEKRLKA-OAHLLOKOSA-N	407.220	4.117	5	1	HIBF	
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	61958609	JSGVLXKFVRCABD-UHFFFAOYSA-N	403.438	4.048	5	3	HIBF	
CCOC(=O)[C@H]1Nc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@H]12	15952388	JPRRSZPEJDPTKT-OWQGQXMQSA-N	406.360	4.275	5	1	HIBF	
CC1CCC2(CC1)N=C(N)N=C(N)N2OCc1cc2ccccc2c2ccccc12	45194643	KFVNUNVVMYXFBC-UHFFFAOYSA-N	401.514	4.276	5	1	HIBF	
O=C(COc1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccccc1F	587154442	OTRGMHCHKHSUQE-UHFFFAOYSA-N	406.373	4.295	5	1	HIBF	
Cc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2n1	13815825	MZDNYCYPYVLIBI-UHFFFAOYSA-N	411.361	4.271	5	1	HIBF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(O)c1	587239921	BYRZYRMQXHQQMS-UHFFFAOYSA-N	420.400	4.472	5	1	HIBF	
C[C@@]1(c2cccc(O)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587338881	SROIUGBDEXOGPE-KNQAVFIVSA-N	409.369	4.419	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3ccc([N+](=O)[O-])n3)cc1)CC2=O	587472238	YXBBOLCDNASXLY-HXUWFJFHSA-N	423.425	4.192	5	1	HIBF	
Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cccc1[N+](=O)[O-]	587660707	JFLSSBFCZZLQGL-UHFFFAOYSA-N	403.369	4.108	5	1	HIBF	
COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	587934413	DLQFLJSLCPNOBO-FVMDXXJSSA-N	406.236	4.079	5	1	HIBF	
COc1ccc(-c2noc(Cn3c4ccccc4c(=O)c4cc(OC)ccc43)n2)cc1	653739189	VVAJESHGQWFPPM-UHFFFAOYSA-N	413.433	4.270	5	1	HIBF	
CC(C)(C)OC(=O)N1C[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)C(F)(F)C1	587132019	HGEJXQWSWPVLGK-MRVPVSSYSA-N	402.785	4.094	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587744208	COCKJUZAPZVAOS-MGNBDDOMSA-N	408.271	4.186	5	1	HIBF	
COC(=O)N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587480	YCSZGJZRZLJURR-HXUWFJFHSA-N	421.453	4.393	5	1	HIBF	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cc2F)c1	587143765	KSSCNORYVOEJLS-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@@H]1c1cccc([N+](=O)[O-])c1	101691975	WBCZVFKMXNYNCA-LJQANCHMSA-N	411.483	4.366	5	1	HIBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1	1857566480	ANZCFROLHQIXGK-GASCZTMLSA-N	422.441	4.108	5	1	HIBF	
COc1ccccc1CN1O[C@H](CO)C[C@@H]1c1ccc2ccc3cccnc3c2n1	1857630338	UKICPRZCDUAABF-PZJWPPBQSA-N	401.466	4.031	5	1	HIBF	
CCN(CC)CCOC(=O)CCCn1c2ccccc2c2nc3ccccc3nc21	1772619890	MORRMZKNNJGPCI-UHFFFAOYSA-N	404.514	4.403	5	1	HIBF	
COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	2480341	URVAXKWKXUGALL-UHFFFAOYSA-N	419.796	4.086	5	1	HIBF	
OCCCCCNCc1c2ccccc2c(CNCCCCCO)c2ccccc12	28760976	YUARBFDKHXXZRW-UHFFFAOYSA-N	408.586	4.497	5	1	HIBF	
CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	587242605	XEYHKSVAOKGZPF-UHFFFAOYSA-N	415.362	4.099	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cc(F)c2[nH]1	587264533	HOKMFAXKNGXKKP-ZETCQYMHSA-N	424.186	4.454	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F	587118103	JXVHIURFEIQZJC-UHFFFAOYSA-N	422.754	4.450	5	1	HIBF	
CCCCNC[C@H](O)COc1cc(OCCCC)c2c(=O)c3ccccc3oc2c1	1772601878	HJLRIAVOXWIBLN-KRWDZBQOSA-N	413.514	4.255	5	1	HIBF	
CCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135537	VJBBRZDDJMCNJX-HOTGVXAUSA-N	411.506	4.382	5	1	HIBF	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1	587230772	IUDACZUIZNKFJD-UHFFFAOYSA-N	417.425	4.360	5	1	HIBF	
C[C@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587330937	CJAVBKLKOMUCFI-RBBKRZOGSA-N	408.385	4.296	5	1	HIBF	
C[C@]1(COc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587578796	XQUICKCIIICOKC-DENIHFKCSA-N	407.378	4.100	5	1	HIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3ccccc3cc2[nH]1	587266029	IPRVKBABXJISFW-WLRWDXFRSA-N	407.386	4.067	5	1	HIBF	
COc1ccc2c(c1OC)[C@@H](C[N+](=O)[O-])N(C)c1c-2ccc2cc3c(cc12)OCO3	1857761335	YUPQSBIPWDMDLX-MRXNPFEDSA-N	408.410	4.020	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2	587390470	QIGWAIJIQLRJTM-IIBYNOLFSA-N	411.414	4.455	5	1	HIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O	587434029	PAFVMAGGWXLVCH-OYHNWAKOSA-N	407.378	4.264	5	1	HIBF	
O=C(O)c1cc(Br)cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12	587139410	JTZPTRRXVRWPMZ-UHFFFAOYSA-N	414.574	4.391	5	1	HIBF	
COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573911	DJDGGSRXFPMWBK-REWPJTCUSA-N	421.405	4.272	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587749067	WWAYCGRRXCBWBS-XLFHBGCDSA-N	424.226	4.202	5	1	HIBF	
CCC/C=C\C/C=C\CCCCC[C@@H](O)CC(=O)O[C@@H](CCC(=O)O)[N+](C)(C)C	85590027	CBBAYEUCTOLHMQ-WBZNGXOHSA-O	412.591	4.431	5	1	HIBF	endogenous,in-man
O=c1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12	587172191	YWBSKEJCPUVZSZ-UHFFFAOYSA-N	400.316	4.205	5	1	HIBF	
COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577239	RBMYGOAUJYNUDM-XXBNENTESA-N	421.405	4.494	5	1	HIBF	
O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1	82222839	FZPQMXAHFPAJQH-SFHVURJKSA-N	400.504	4.136	5	1	HIBF	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2c(O)c1OC)C[C@H]1CCCN1C3	14824752	IUTOEIPYJNFBLC-CYBMUJFWSA-N	409.482	4.254	5	1	HIBF	biogenic
COc1ccc(C(=O)Nc2ccc(-c3nc4ccc([N+](=O)[O-])cc4n3O)cc2)cc1	28957240	NYMOZAKWYQDGOZ-UHFFFAOYSA-N	404.382	4.110	5	1	HIBF	
CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586963376	MCSLYPFRCXJKML-LLVKDONJSA-N	424.280	4.281	5	1	HIBF	
CCC(=O)COc1c(OC)ccc2c1c[n+]1c3c2ccc2c4c(cc(c23)CC1)OCO4	1857536784	OTBUKAUYMDMDBL-UHFFFAOYSA-N	416.453	4.085	5	1	HIBF	
O=[N+]([O-])c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Cl	587000988	BFKIFPOEIWHWMN-UHFFFAOYSA-N	420.654	4.479	5	1	HIBF	
O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(N3CCOCC3)c12	587642952	ADHFYULVGZQFQD-UHFFFAOYSA-N	402.248	4.342	5	1	HIBF	
C[C@H]1Cc2onc(-c3cc(Cl)ccc3[N+](=O)[O-])c2C(=O)N1C(=O)OC(C)(C)C	209983045	ZUCBDDCIQSTMSY-VIFPVBQESA-N	407.810	4.225	5	3	HIBF	
O=c1c(O)c(-c2ccccc2)oc2cc(OCc3ccccc3[N+](=O)[O-])cc(O)c12	64540191	CSIMTGGBFLMGDZ-UHFFFAOYSA-N	405.362	4.358	5	1	HIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	587265157	KQSHEMQYRFYPEP-JTQLQIEISA-N	400.744	4.091	5	1	HIBF	
CN(C(=O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1N1CCCC1	26839330	BTQIFFARIIWFPU-SJORKVTESA-N	414.333	4.310	5	1	HIBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149658	GWCNTRNCQVTILQ-CALCHBBNSA-N	423.517	4.160	5	1	HIBF	
COc1ccc(C=O)c2cc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)oc12	586903805	OAKFQABOWRNWIN-UHFFFAOYSA-N	416.187	4.468	5	1	HIBF	
Cc1ccc2c3c(c4c(nc13)[C@@H](CC(=O)O)[C@H](C[N+](=O)[O-])[C@H]4C)-c1ccccc1C2=O	587096550	CTXVOFQOWCRPTF-OAUYIBNBSA-N	416.433	4.323	5	1	HIBF	
CS(=O)(=O)c1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1	587271267	ADCURNDYWLLDTG-UHFFFAOYSA-N	409.423	4.334	5	1	HIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc([N+](=O)[O-])cc4OC)o1)[C@@H](C2)C3=O	587434787	ZQEOMKWEEVJSOS-OYHNWAKOSA-N	407.378	4.361	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1	1772642415	QYZFOGMEHKRLPW-UHFFFAOYSA-N	414.393	4.067	5	1	HIBF	
COCCNc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1[N+](=O)[O-]	587265197	MLSFIPURUYYRIN-UHFFFAOYSA-N	414.425	4.293	5	1	HIBF	
CC(C)Oc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275359	CTAWSLVGAGQSCH-JTQLQIEISA-N	408.256	4.021	5	1	HIBF	
CCCCOc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587277283	RZPRICHITAMXGE-SNVBAGLBSA-N	408.256	4.218	5	1	HIBF	
CC(C)c1ccc2nc3ccc(CNCCCCc4cccnc4)cn3c(=O)c2c1	27526121	RGNIRBZAYFBIKC-UHFFFAOYSA-N	400.526	4.479	5	1	HIBF	
O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1	962925595	WEWOQDJAADILON-QFBILLFUSA-N	416.792	4.336	5	1	HIBF	
CN(C)CCNc1ccccc1-c1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1	27711964	AUAAGFXXCPBNLL-UHFFFAOYSA-N	418.497	4.417	5	1	HIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3ccccc3cc2[nH]1	587266023	IPRVKBABXJISFW-JEOXALJRSA-N	407.386	4.067	5	1	HIBF	
COc1ccccc1[C@@]1(Cc2ccc([N+](=O)[O-])cc2)NCCc2c1c(C(C)C)nn2C	962909474	MTZJFVUBTGULRP-XMMPIXPASA-N	420.513	4.092	5	1	HIBF	
COC(=O)c1cccc2nc3c(C(=O)[C@@H](CCCC(C)C)C(=O)OC)cccc3nc12	2356819841	FFSIJVUDNOOKTG-QGZVFWFLSA-N	422.481	4.368	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1	43073188	XFOUOFOWLDRRLI-HKUYNNGSSA-N	403.435	4.026	5	1	HIBF	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1cccc([N+](=O)[O-])c1	587623587	XAGAGPMLLRWDAE-UHFFFAOYSA-N	414.219	4.276	5	1	HIBF	
CCN(CC)CCNC(=O)c1c2c(cc3oc4ccccc4c(=O)c13)OC(C)(C)C=C2	29226368	JQTYXWTZFULJOM-UHFFFAOYSA-N	420.509	4.202	5	1	HIBF	
Cc1cc(Br)cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c12	587117539	UCDDWAGINGXBTC-UHFFFAOYSA-N	418.173	4.114	5	1	HIBF	
COc1cc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1[N+](=O)[O-]	587262249	OZJRVHCCMCYUSE-UHFFFAOYSA-N	401.382	4.155	5	1	HIBF	
CCOC(=O)[C@@H]1Nc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@@H]12	59889338	JPRRSZPEJDPTKT-RPVQJOFSSA-N	406.360	4.275	5	3	HIBF	
CC(C)[C@H](C)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	775967	UCOFZIFPGFPVRU-NSHDSACASA-N	403.435	4.050	5	1	HIBF	
O=Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Cc3noc4ccccc34)nn12	43074911	PDWDJRNFXDSUQH-UHFFFAOYSA-N	406.383	4.496	5	1	HIBF	
O=[N+]([O-])c1ccc(CNc2nc(NCc3ccccc3Cl)nc3[nH]cnc23)cc1	89455111	RJLVQGTUUZQGLE-UHFFFAOYSA-N	409.837	4.139	5	1	HIBF	
C[C@@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2)c1ccccc1	103299713	PQPYOKWTCVJFGW-CYBMUJFWSA-N	411.439	4.484	5	1	HIBF	
COc1ccc2oc3cc(OCCCCCCCO[N+](=O)[O-])cc(O)c3c(=O)c2c1	1857634998	GQCKWYWIXFVUED-UHFFFAOYSA-N	417.414	4.198	5	1	HIBF	
COC(=O)c1ccc2[nH]c3c(c4c(c5c6cccc7c6n(c35)CCC7)C(=O)NC4=O)c2c1	14945578	DAJSEMYEPQUOIT-UHFFFAOYSA-N	423.428	4.045	5	1	HIBF	
NN1C(=O)c2c(c3c4ccccc4n4c3c3c2c2ccccc2n3[C@@H]2CC[C@H]4O2)C1=O	29328395	CXYGGGOEPWHWMM-IYBDPMFKSA-N	408.417	4.193	5	1	HIBF	
CCOC(=O)c1cc(O)c(OCc2cc(=O)oc3ccc4ccccc4c23)c(O)c1	103285976	XIGBYYRHTPBWBL-UHFFFAOYSA-N	406.390	4.113	5	1	HIBF	
CCCCNC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21	1860796	RYJAEHATAJTDGH-UHFFFAOYSA-N	411.303	4.417	5	1	HIBF	
CC1=Nc2nc3ccccc3n2[C@H](c2ccco2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	169724309	PPOWHZRYXUCWMA-WOJBJXKFSA-N	415.409	4.488	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	587549178	RDEAJJNFYWAEAX-OXJNMPFZSA-N	413.769	4.362	5	1	HIBF	
COC(=O)[C@H]1CCCN(Cc2cc3cc4c(cc3c3cc(OC)ccc23)OCO4)C1	43012199	ZIILVVBPMAUITD-HNNXBMFYSA-N	407.466	4.115	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12	587165170	LSZBXOMUHFQZNA-UHFFFAOYSA-N	416.210	4.285	5	1	HIBF	
O=C(O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1[N+](=O)[O-]	587622553	COHREEBBJJGXRK-UHFFFAOYSA-N	401.176	4.080	5	1	HIBF	
O=[N+]([O-])c1ccc(CN2CCN([C@@H](c3ccccc3)[C@H](O)c3ccccc3)CC2)cc1	169326379	SBUDQVKTHCUTGI-LOSJGSFVSA-N	417.509	4.187	5	1	HIBF	
O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1	13443502	INZCTQNCULAMIV-UHFFFAOYSA-N	414.481	4.200	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2cccc3c2n1CC[C@@H]3CO	14945617	PDUUZVOLPGEGDS-CQSZACIVSA-N	406.441	4.464	5	1	HIBF	
COc1ccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	15936252	IAMXTUZFDCQZRG-UHFFFAOYSA-N	418.406	4.125	5	3	HIBF	
O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(C(F)(F)F)cc1	1857752359	UIOMASJJPMJQPR-UHFFFAOYSA-N	407.392	4.009	5	1	HIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577551	SPTNHIIVQSUJPE-KNQAVFIVSA-N	406.394	4.069	5	1	HIBF	
O=[N+]([O-])c1ccc(OCC(COc2ccc([N+](=O)[O-])cc2)NCc2ccccc2)cc1	2178320265	UUHBIXKKCUHCBR-UHFFFAOYSA-N	423.425	4.119	5	1	HIBF	
O=c1c2ccc(O)cc2oc2cc(O)c(-c3c(O)ccc4ccc(O)cc34)c(O)c12	72179265	ZARZJCLMJKVXDN-UHFFFAOYSA-N	402.358	4.294	5	1	HIBF	
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc(N)c1C(=O)OCc1ccccc1	473123164	KTHFTNPPJJSDTF-UHFFFAOYSA-N	411.439	4.156	5	1	HIBF	
CS(=O)(=O)c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc([N+](=O)[O-])c1Cl	586925109	FNCMFKYQZTWJCZ-UHFFFAOYSA-N	405.863	4.074	5	1	HIBF	
CCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-]	2483350	QVRPYKRVGGNDPZ-UHFFFAOYSA-N	405.451	4.094	5	1	HIBF	
Nc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(Cl)c5)c4c3c2)cn1	71316181	LAWZUVPUGNEQHQ-UHFFFAOYSA-N	417.831	4.371	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1cccc(Br)c1[N+](=O)[O-])[C@@H](C2)C3=O	587413303	MONDLCBZMZLDEY-SGTLLEGYSA-N	404.216	4.029	5	1	HIBF	
Cn1ccnc1[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587511550	HOLKGDZNJVNFFQ-HSZRJFAPSA-N	403.438	4.116	5	1	HIBF	
CC(=O)[C@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12NCCc1cc(-c3ccccc3)ccc12	962666331	LTQXBJARHOEACJ-WIOPSUGQSA-N	412.445	4.053	5	1	HIBF	
CCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149341	YXFZGNHNQDWFMJ-HOTGVXAUSA-N	411.506	4.382	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)c(F)cc3[nH]2)CC1	587270667	YCIZMCLKGOWGPB-UHFFFAOYSA-N	402.813	4.283	5	1	HIBF	
O=[N+]([O-])c1nn(Cc2ccc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)o2)cc1Cl	963102457	KFLNPXLBXFYYSD-IFXJQAMLSA-N	416.840	4.335	5	1	HIBF	
CCCCS(=O)(=O)N[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(C)C	586933440	RQMXYWMLJQLJLF-FQEVSTJZSA-N	411.531	4.076	5	1	HIBF	
CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	586972298	GSNMWHHAUANBBT-INIZCTEOSA-N	404.879	4.235	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)cnc(Cl)c2[nH]1	587264838	UFNAHHZXCSMYPD-JTQLQIEISA-N	404.810	4.179	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(Cc3cccc([N+](=O)[O-])c3C2)[C@H]1c1ccc(F)cc1	587342767	PROVPUAWCWNQIT-GMAHTHKFSA-N	405.381	4.336	5	1	HIBF	
O=[N+]([O-])c1ccc(NC[C@H](O)CNc2ccc(-c3nc4ccccc4o3)cc2)cc1	1857604827	URHHEBOZEUBDLJ-LJQANCHMSA-N	404.426	4.288	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Cl)ccnc2[nH]1	587056900	VWDIJCALNHEWCT-CYBMUJFWSA-N	408.245	4.300	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1	587862810	KOBPZXUQAWFXCG-UHFFFAOYSA-N	405.332	4.483	5	1	HIBF	
CN(CCN(CC[N+](C)(C)C)CC[N+](C)(C)C)C1CCCCCCCCCCC1	28249157	NYKRIDBUJZVQSB-UHFFFAOYSA-N	412.751	4.306	5	1	HIBF	
CC(=O)N1CC[C@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1	84671702	SBGCVBZYYHHIJR-MRXNPFEDSA-N	407.923	4.180	5	1	HIBF	
CCOc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575986	LVAWTTJMJCMEPG-SIKLNZKXSA-N	407.378	4.402	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587754036	XNISVGMPPQJUDN-MGNBDDOMSA-N	407.239	4.057	5	1	HIBF	
CCCCc1nc([N+](=O)[O-])c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1	13823690	ASKDYNUULQTYBW-UHFFFAOYSA-N	409.442	4.040	5	1	HIBF	
NCCCc1cc2c(-c3ccccc3O)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12	28955993	BJXMDQXCIGDQNU-UHFFFAOYSA-N	410.477	4.335	5	1	HIBF	
O=[N+]([O-])c1cccc(CNc2nc(NCc3ccccc3Cl)nc3[nH]cnc23)c1	89455101	OADGYKRYJCMLEO-UHFFFAOYSA-N	409.837	4.139	5	1	HIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)cc1	587268260	ZDZXIYWHILIZGG-CYBMUJFWSA-N	421.413	4.164	5	1	HIBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc([N+](=O)[O-])cc2)(C2CCNCC2)N1	962947769	OMKDJUQHINZKFL-HOYKHHGWSA-N	404.514	4.244	5	1	HIBF	
CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)CCCc1ccccc1	13738602	VJRNISIIDOMGSQ-UHFFFAOYSA-N	423.513	4.316	5	1	HIBF	
Cc1ccc(CNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)o1	82147735	BXWNJCBPZPPQSA-UHFFFAOYSA-N	423.473	4.293	5	1	HIBF	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1	103995392	SXCFPTBHIGTZMZ-JXFKEZNVSA-N	412.442	4.125	5	1	HIBF	
Cc1ccc2c(ccc3[nH]c(-c4noc(C)c4Cn4cc(Cl)c([N+](=O)[O-])n4)nc32)n1	587078897	CTNMLKCATCPXCN-UHFFFAOYSA-N	423.820	4.189	5	1	HIBF	
O=Cc1ccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])c1	962951948	JMDJJSLQVFFVAC-IBGZPJMESA-N	420.387	4.167	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C(=O)n1cccc1C3	98082565	PLGGDNBFWYCOFL-UHFFFAOYSA-N	403.434	4.422	5	1	HIBF	
COc1cccc2c1ncc1c(=O)n(-c3cc(C)cs3)c(=O)n(C3CCCC3)c12	117789535	XBMCCMKXNQMPDO-UHFFFAOYSA-N	407.495	4.194	5	1	HIBF	
COc1cc2c(NCCN(C)C)nc3c4cc5c(cc4ccc3c2cc1OC)OCO5	1642926	YHXBBAZZCMYSLT-UHFFFAOYSA-N	419.481	4.261	5	1	HIBF	
COc1ccc2c(ccc3c2[nH]c2c(C)cnc(NCCCN(C)CCCN)c23)c1	28962592	OIJZHUHJAXWNTP-UHFFFAOYSA-N	405.546	4.269	5	1	HIBF	
CCCOc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br	587268651	HUWFYYDNFRKDQO-UHFFFAOYSA-N	406.240	4.030	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1c([N+](=O)[O-])ccc(Br)c1C)[C@@H](C2)C3=O	587411055	BJJVMQCMKVLWLQ-VOJFVSQTSA-N	404.216	4.163	5	1	HIBF	
COc1cc(F)c([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-]	962714749	SVEKREUCMFPOLM-FKIZINRSSA-N	406.454	4.335	5	1	HIBF	
C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)NCCc2c(Cl)cc(Cl)cc21	963114233	SLWLQUKXIHIJMG-IBGZPJMESA-N	409.269	4.396	5	1	HIBF	
CC(=O)c1c2c(cc3c(=O)c4c(O)cc5c(c4oc13)C=CC(C)(C)O5)C(C)(C)OC2=O	13373263	LWJBUOOKYYTUDX-UHFFFAOYSA-N	420.417	4.444	5	1	HIBF	endogenous,in-man
CC(=O)N1CC[C@@H](CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1	84671703	SBGCVBZYYHHIJR-INIZCTEOSA-N	407.923	4.180	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	587040548	HYGYRFAQGUIMPT-KGLIPLIRSA-N	419.304	4.180	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc([N+](=O)[O-])cc4)o1)[C@@H](C2)C3=O	587433057	MNXBRWQMAZPBAY-JTSKRJEESA-N	407.378	4.264	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2n1ccc([N+](=O)[O-])n1	587575631	GDDMDTZNSMCKRC-LQBOVUBWSA-N	421.409	4.013	5	1	HIBF	
CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587575729	KWKJQPLRSNFGQN-UGKGYDQZSA-N	406.394	4.069	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1cccc(Cl)c1	299849744	SVJARBLVURQXCP-CUDBPUKSSA-N	419.868	4.261	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1	586921025	VIPBBGCNXQRNGC-UHFFFAOYSA-N	423.450	4.024	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)O2	587388600	DLZQHCRRQUQPAF-OAQYLSRUSA-N	418.405	4.411	5	1	HIBF	
COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1	587783869	BCASWHIMRHKKQN-VXGBXAGGSA-N	416.231	4.177	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714950	GPGJHNQAMWOWBF-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
Cc1ccc2c(ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c32)n1	587270521	LNGAAGZPKXRDQZ-UHFFFAOYSA-N	415.453	4.348	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)nn2)c1	587270700	YZAPSHQIOFONBA-UHFFFAOYSA-N	412.409	4.298	5	1	HIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587273638	JNMMLIMHMVLXAS-ZETCQYMHSA-N	418.173	4.253	5	1	HIBF	
CCN(CC)CCCNc1c2c(Cl)cc(Cl)cc2nc2nc(=O)[nH]c(C)c12	1643227	VIUWXCLIKUZIRJ-UHFFFAOYSA-N	408.333	4.230	5	1	HIBF	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(I)cc1	587646203	WVIKGXBNDKWMAG-UHFFFAOYSA-N	421.194	4.241	5	1	HIBF	
COc1ccccc1N1CCN(Cc2ccc3oc4ccccc4c(=O)c3c2)CC1	96927928	ZOPHPUXNWRKATM-UHFFFAOYSA-N	400.478	4.277	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587053519	GHCXPMIFRYWWQI-INIZCTEOSA-N	417.809	4.160	5	1	HIBF	
Cc1cnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1	587336316	NCZOQLINVWGOBZ-KNQAVFIVSA-N	408.385	4.417	5	1	HIBF	
CCOC(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587507170	AVCSTBAGSHAINH-HSZRJFAPSA-N	409.438	4.288	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc([N+](=O)[O-])cc12	587579388	ZHGJMFQIHYXSRW-SIKLNZKXSA-N	402.362	4.485	5	1	HIBF	
C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc2nc3c(C(=O)O)cccc3nc12	29472269	FJIVAWFNINSKDH-GFCCVEGCSA-N	417.377	4.307	5	1	HIBF	
Cc1ccc(C)c(NC(=O)c2cn(CCO)c3c(cc(Cl)c4ncccc43)c2=O)c1	103293512	XOEIKYHVFWALSJ-UHFFFAOYSA-N	421.884	4.065	5	1	HIBF	
O=[N+]([O-])c1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1	221035574	QTUJNVUTDZUDAU-UHFFFAOYSA-N	419.400	4.222	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1	587268012	VRGSVTIITKCQJA-JTQLQIEISA-N	408.256	4.135	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587743990	CIGMKXNOOQLMKX-YPMLDQLKSA-N	407.239	4.129	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587748504	VHFWAPGCGRJLSJ-BCTVWOGZSA-N	410.199	4.028	5	1	HIBF	
CN(C)CCN1C(=O)c2cc(NC(=O)C(C)(C)C)cc3cc4ccccc4c(c23)C1=O	28118291	URHORUSQPATJLJ-UHFFFAOYSA-N	417.509	4.135	5	1	HIBF	
Cn1cc(-c2cnc3ccc4ccc(CC(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1	95581344	ACUVOYJESJNPMD-UHFFFAOYSA-N	420.472	4.330	5	1	HIBF	
O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3cccc(Cl)c3)c(F)cc2c1=O	103213564	ZOHBLFFRYUFNOJ-UHFFFAOYSA-N	417.780	4.479	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	587040547	HYGYRFAQGUIMPT-KBPBESRZSA-N	419.304	4.180	5	1	HIBF	
C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2N1	587127511	ZSXFBEOTFJVEKX-INWYIAFRSA-N	400.748	4.296	5	1	HIBF	
CCCn1c(C(C)(C)C)cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2[N+](=O)[O-])c1C	299858101	QKBGNKYRVAGQBM-KRWDZBQOSA-N	415.490	4.358	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(Cl)c(Br)cnc3[nH]2)c1	587261702	GJCIBXOONCQVFU-UHFFFAOYSA-N	411.643	4.212	5	1	HIBF	
COc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1	587657420	WHHCGEAHXZTSOE-UHFFFAOYSA-N	409.348	4.248	5	1	HIBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC	776288	UJFHIMANDRVKBL-UHFFFAOYSA-N	419.478	4.340	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)nc1C(F)(F)F	587119617	ZOCZIJAXYAMDPM-UHFFFAOYSA-N	403.320	4.107	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587744339	DFQUZPMWVLGAJA-MLCYQJTMSA-N	407.239	4.129	5	1	HIBF	
C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	28018419	NNGHXINSFWJBBD-INIZCTEOSA-N	418.368	4.235	5	1	HIBF	
Cc1cc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2cc1[N+](=O)[O-]	587019620	RHFYWJRLCSCCPM-UHFFFAOYSA-N	408.443	4.471	5	1	HIBF	
Cc1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCn2cc(-c3ccccc3)nn2)cc1	1857768626	GBTVLUKXAAFFLC-VAWYXSNFSA-N	400.442	4.229	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587748506	VHFWAPGCGRJLSJ-PWJLMRLQSA-N	410.199	4.028	5	1	HIBF	
CCOc1cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(Cl)cc1C(=O)O	587940506	JTEGPTZBOGPXCJ-UHFFFAOYSA-N	418.789	4.214	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)c(F)c2[nH]1	587265015	KWWKBRRQHDIYIA-ZETCQYMHSA-N	424.186	4.454	5	1	HIBF	
O=C(Oc1ccc(Cl)cc1C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1	95563605	OFWSBMFCTVTWFI-UHFFFAOYSA-N	403.803	4.176	5	1	HIBF	
O=C(c1ccccc1)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1	587264347	MEDQNNSXJUYDPJ-UHFFFAOYSA-N	402.366	4.201	5	1	HIBF	
C[C@@]1(c2cccc(O)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587338884	SROIUGBDEXOGPE-UGKGYDQZSA-N	409.369	4.419	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)c([N+](=O)[O-])cc31)O2	587373278	SXEOLWOQOBTNOU-GOSISDBHSA-N	403.232	4.055	5	1	HIBF	
COC(=O)N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587479	YCSZGJZRZLJURR-FQEVSTJZSA-N	421.453	4.393	5	1	HIBF	
NC(=O)c1cc(N2CCC(c3nc4cc5ccccc5cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587262922	IHFQBUGDTWYJJR-UHFFFAOYSA-N	415.453	4.107	5	1	HIBF	
COc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747179	MVYYZRJBARIILU-XTZNXHDOSA-N	409.255	4.303	5	1	HIBF	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149141	XGEBPERFHMYZOK-HZPDHXFCSA-N	411.506	4.159	5	1	HIBF	
CCc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)s1	82174458	XXWOIYLECRCCLX-HNNXBMFYSA-N	411.487	4.329	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12	587643938	KVFWBLYOJXEJJQ-UHFFFAOYSA-N	417.215	4.251	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1	587268701	BSVXXDUHWRQRCW-UHFFFAOYSA-N	406.215	4.035	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](C)(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2=O	587468728	CXAULRGDAVVSRF-JOCHJYFZSA-N	415.442	4.237	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1	1857611363	RZMRICLCHNGISZ-WMZOPIPTSA-N	405.863	4.150	5	1	HIBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC	587573479	CEFGCHSVNIWISK-SIKLNZKXSA-N	423.377	4.021	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c([N+](=O)[O-])cccc12	587577277	RQSKNQQELVFWAF-XMSQKQJNSA-N	402.362	4.485	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccccc2[N+](=O)[O-])N1	587746676	KFOXBTPCBNAEOT-VOJFVSQTSA-N	409.255	4.325	5	1	HIBF	
CC(=O)N1c2ccccc2S[C@H]1c1cc([N+](=O)[O-])ccc1OCCCN(C)C	28018132	XKRIIWZFUYUSBR-FQEVSTJZSA-N	401.488	4.083	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	587549182	RDEAJJNFYWAEAX-UZLBHIALSA-N	413.769	4.362	5	1	HIBF	
CN1C(=O)C[C@H]2CN[C@](Cc3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32	963023863	IKCATUGSIVRKJP-AVRWGWEMSA-N	413.477	4.134	5	1	HIBF	
CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCC	4213808	LZTZEZPAANKXGQ-VQTJNVASSA-N	419.478	4.254	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	587342185	LZLHSQGSEGDPRU-JTHBVZDNSA-N	421.380	4.476	5	1	HIBF	
CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	82148333	XKPXIWVBPURCGP-UHFFFAOYSA-N	419.485	4.392	5	1	HIBF	
O=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccc(Cl)cc12	299870723	WVVHZEXMIBRDPT-UHFFFAOYSA-N	400.869	4.496	5	1	HIBF	
Cc1csc2nc(Cc3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3)oc(=O)c12	6523544	XZFKRNVNVJHFKH-UHFFFAOYSA-N	406.419	4.288	5	1	HIBF	
O=C(c1cnc(NC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1	82135527	IAOOWTAKAHZKNF-UHFFFAOYSA-N	409.490	4.423	5	1	HIBF	
O=C(CSCc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccc(C(F)(F)F)cc1	587113881	NLEBMHZCOUXOSE-UHFFFAOYSA-N	410.377	4.362	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587513960	WADADWCCZCWYJT-HSZRJFAPSA-N	424.453	4.235	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587721501	WIBUSLGMGZNWNK-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
CC(C)=CCc1c(C)cc2oc3c(O)cc4c(c3c(=O)c2c1O)C[C@H](O)C(C)(C)O4	2356730496	LZBDHOIXMLDLSD-SFHVURJKSA-N	410.466	4.249	5	1	HIBF	
CCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1	82134315	PFIWTZYYOJTQNC-UHFFFAOYSA-N	409.446	4.095	5	1	HIBF	
CCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82134544	DTJWKXUHCLOUTD-HZPDHXFCSA-N	411.506	4.064	5	1	HIBF	
O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)ncc2-c2nc3ccccc3s2)cc1	82174526	SFVIQYDNOCJFOV-UHFFFAOYSA-N	419.466	4.165	5	1	HIBF	
CCCn1cnc2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cc(Br)c21	587004631	WPDCANYFNYRSER-UHFFFAOYSA-N	401.224	4.055	5	1	HIBF	
COc1cccc(OC)c1-c1ccc(C[C@@H](Nc2ccccc2[N+](=O)[O-])C(=O)O)cc1	13439232	AYONUAGLNYQGOH-GOSISDBHSA-N	422.437	4.387	5	1	HIBF	
O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cn1	45285633	SLTMOEWUTHCFKC-XCVCLJGOSA-N	419.372	4.035	5	1	HIBF	
O=C(O)c1ccc2oc3ccc(OC[C@H](O)CSc4ccccc4)cc3c(=O)c2c1	169321093	FVSLHROUIZMIAC-HNNXBMFYSA-N	422.458	4.176	5	1	HIBF	
Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(O)c1	587240409	JQSKYBUTADJPNE-UHFFFAOYSA-N	402.410	4.333	5	1	HIBF	
CCCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1	49124727	XVKVIOCQZGFCJP-IBGZPJMESA-N	416.474	4.126	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](O)[C@@H]1CCCCN1C3	73294753	QMKFMAIEWFWSKC-UQBPGWFLSA-N	423.509	4.429	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587712963	ATSDWXRXCUTNGB-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
O=C1NN=C2C=C(c3ccc(Br)cc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@H]12	299832706	KGHUNBLYUDIRBP-AEFFLSMTSA-N	412.243	4.030	5	1	HIBF	
CN1CCc2c(Br)cccc2[C@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O	963289484	OAPXFWGMDGXGNQ-SFHVURJKSA-N	415.243	4.041	5	1	HIBF	
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149663	GWCNTRNCQVTILQ-IAGOWNOFSA-N	423.517	4.160	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1	587109316	HMYZSVKKZWCALU-UHFFFAOYSA-N	405.311	4.406	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])cn1	587859766	IDPVKRGRZBUMGF-SNVBAGLBSA-N	424.244	4.262	5	1	HIBF	
COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4ccc(C=O)cc4)c3oc2c1OC	96932322	YHSGZHIVYVAIRU-UHFFFAOYSA-N	420.417	4.460	5	1	HIBF	
O=C(O)c1cccc2c1CCN[C@H]2c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1	963130111	IGDZGGREPZYQAW-JOCHJYFZSA-N	422.412	4.246	5	1	HIBF	
CCCOc1oc(=O)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1Cl	27635067	ZRIZXNBWNGNJPQ-UHFFFAOYSA-N	402.790	4.396	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714911	GLTADZZJRYOLBN-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1	587937100	HWIKERXIHHSOML-AWEZNQCLSA-N	401.463	4.168	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1	43073185	XFOUOFOWLDRRLI-PKOBYXMFSA-N	403.435	4.026	5	1	HIBF	
COCCOc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1[N+](=O)[O-]	587264650	HBFRWWNMJRGSSD-UHFFFAOYSA-N	415.409	4.260	5	1	HIBF	
CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CCOCC1	4216527	BYNFQQVUTDNTGC-OALUTQOASA-N	423.897	4.121	5	1	HIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1cccc(Cl)c1	587071422	MJVGHEOIFBINFY-ZDUSSCGKSA-N	417.853	4.328	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1	587171096	YBMLEXRXACUTNO-UHFFFAOYSA-N	412.402	4.078	5	1	HIBF	
Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc([N+](=O)[O-])c2)c1F	13474011	SRGJGTNJPJZIMB-UHFFFAOYSA-N	400.341	4.445	5	1	HIBF	
O=C(NCC1CCCCC1)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1	82147912	IFCNHZRFRURDDR-UHFFFAOYSA-N	409.490	4.184	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1	587262026	LEQUPFPWIPGOFS-UHFFFAOYSA-N	421.207	4.072	5	1	HIBF	
CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ncccc2[N+](=O)[O-])/C1=C(/O)OCCc1ccccc1	29487221	IJBCODPWDQSQPL-HGBKYHTQSA-N	424.413	4.085	5	1	HIBF	
Cc1c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586980440	ZGXMBRRZZWRABM-UHFFFAOYSA-N	419.279	4.149	5	1	HIBF	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587579103	YJWRZBUWKMNOPX-YWZLYKJASA-N	423.425	4.034	5	1	HIBF	
COC(=O)c1ccccc1-c1c2ccc(=[N+](C)C)cc-2oc2cc(N(C)C)ccc12	4521864	WAWRKBQQBUDAMY-UHFFFAOYSA-N	401.486	4.089	5	1	HIBF	
COc1ccc([C@H]2CC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2)cc1OC1CCCC1	34820554	PCNSLPRGHDFEDZ-SFHVURJKSA-N	410.470	4.441	5	1	HIBF	
O=[N+]([O-])c1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Cl	587118830	QYUXYUAWFZFJIQ-UHFFFAOYSA-N	412.715	4.043	5	1	HIBF	
CC(C)(C)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1	587263108	LXPIZUBSLKUHFM-UHFFFAOYSA-N	421.501	4.252	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587743395	APQRGNDJJSIZEU-VVVCHXIZSA-N	424.226	4.202	5	1	HIBF	
COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577237	RBMYGOAUJYNUDM-CVDCTZTESA-N	421.405	4.494	5	1	HIBF	
CC(C)(Oc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586995129	DIQPUEBXVSYJIT-UHFFFAOYSA-N	421.207	4.456	5	1	HIBF	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587071252	YAZKWVOCSCTLEJ-SNVBAGLBSA-N	409.671	4.172	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccnc(Br)c2[nH]1	587110122	SPUAJJCOQMFBIV-UHFFFAOYSA-N	401.142	4.238	5	1	HIBF	
CCCN1C[C@@H]2Cc3c(c4ccc(OC)cc4c4cc(OC)c(OC)cc34)CN2C1	72111392	MHKXHJAFBWDPEZ-INIZCTEOSA-N	406.526	4.429	5	1	HIBF	
O=[N+]([O-])c1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c([N+](=O)[O-])c1	587264527	NJHBAKWNWCITRS-UHFFFAOYSA-N	417.250	4.019	5	1	HIBF	
O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1ccc(F)cc1	1857552330	FYOBZQRQFRAMKD-UHFFFAOYSA-N	419.372	4.379	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587747693	RFSJJNXQGKJAKR-PWJLMRLQSA-N	410.199	4.028	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c([N+](=O)[O-])cccc12	587576691	PIWGWIAFSGQMBX-NZQKXSOJSA-N	403.390	4.494	5	1	HIBF	
COc1cc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC	587511474	QCWIUBXRLNVOPD-QHCPKHFHSA-N	411.454	4.457	5	1	HIBF	
COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587744360	DKBFJIYBXYOURS-YPMLDQLKSA-N	409.255	4.303	5	1	HIBF	
CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1	1857609106	KCCAKTLROAKJBV-FQEVSTJZSA-N	424.501	4.448	5	1	HIBF	
COc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Cl	587270587	WDOKVMLKIKOMKM-UHFFFAOYSA-N	414.849	4.153	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587744242	COCKJUZAPZVAOS-YPMLDQLKSA-N	408.271	4.186	5	1	HIBF	
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)c(OC)c1	26844054	MUCUELHXSLCCLY-UHFFFAOYSA-N	408.483	4.297	5	1	HIBF	
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1	64755260	OEKPLWPNYNEVON-HXUWFJFHSA-N	415.409	4.465	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12	587092612	SJUUHBGOVMTFDC-UHFFFAOYSA-N	405.130	4.384	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587748722	VXDBRRFBVGESMN-PWJLMRLQSA-N	410.199	4.028	5	1	HIBF	
CN1c2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@@H](O)C1(C)C	1911584691	JELUUMCTXREGIT-GOSISDBHSA-N	414.531	4.271	5	1	HIBF	
N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587174326	HJLHIHBDWAVYTF-GFCCVEGCSA-N	418.226	4.097	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cnc4ccccc4c3[nH]2)CC1	587270882	SRGFWZDRTKTHBQ-UHFFFAOYSA-N	401.426	4.039	5	1	HIBF	
O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1	962913067	QNPJKTGSFVRICX-RBBKRZOGSA-N	422.412	4.001	5	1	HIBF	
Cc1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2cc1[N+](=O)[O-]	586937244	LKRVDNQUYSJTDZ-KRWDZBQOSA-N	422.894	4.109	5	1	HIBF	
COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-]	587746078	IYOCILYSOZZSMN-MGNBDDOMSA-N	409.255	4.303	5	1	HIBF	
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cn1)c1ccccc1	96269775	JALSZBXKSDMYIN-UHFFFAOYSA-N	407.433	4.467	5	1	HIBF	
Cc1cnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1	587118140	KQVOCOBDEJRJRQ-UHFFFAOYSA-N	402.336	4.105	5	1	HIBF	
C[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1	587172879	OKTQAISDNBSDMJ-QGZVFWFLSA-N	420.194	4.001	5	1	HIBF	
C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82148168	OUZURHHODJPLJA-UZLBHIALSA-N	423.517	4.351	5	1	HIBF	
CCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149345	YXFZGNHNQDWFMJ-HZPDHXFCSA-N	411.506	4.382	5	1	HIBF	
O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1[N+](=O)[O-]	95563973	LGWSKWBXNPZMBE-UHFFFAOYSA-N	400.847	4.436	5	1	HIBF	
Cc1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1[N+](=O)[O-]	587117841	HAXIMQUOKOFNIO-UHFFFAOYSA-N	418.173	4.000	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2cc([N+](=O)[O-])ccc12	587643680	IHQVWCOEAPCUFI-UHFFFAOYSA-N	417.215	4.251	5	1	HIBF	
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C	1857747100	SVIHDEUPJUWZRH-UHFFFAOYSA-N	421.460	4.158	5	1	HIBF	
Cc1ccnc(SCc2cc(=O)c(OCc3ccc(Cl)c([N+](=O)[O-])c3)co2)n1	95573208	KADZGNUFQSBIHM-UHFFFAOYSA-N	419.846	4.171	5	1	HIBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(OCc3ccccc3)cc2[nH]1	587268972	FTUFDKLYISJXDS-UHFFFAOYSA-N	403.394	4.442	5	1	HIBF	
COc1ccc(OCc2ccc(C(C)(C)NC(=O)c3ccc([N+](=O)[O-])o3)cc2)cc1	1857560622	AQTRAWBSQHSPQT-UHFFFAOYSA-N	410.426	4.441	5	1	HIBF	
O=[N+]([O-])c1c(CS(=O)(=O)c2ccccc2)nc2c(-c3ccco3)cc(Cl)cn12	1857649378	IZZRJGQOLMEFDT-UHFFFAOYSA-N	417.830	4.130	5	1	HIBF	
Cc1c(Br)cnc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc12	587270381	WUPZILCVWOZRBM-UHFFFAOYSA-N	402.252	4.204	5	1	HIBF	
CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc([N+](=O)[O-])cc1	103277252	QSIOYKRYPPHWPQ-UHFFFAOYSA-N	403.398	4.249	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	587746311	JMVGTGOBUSYJSY-BONVTDFDSA-N	409.255	4.323	5	1	HIBF	
C[N+]1(C[C@H]2c3ccccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209466768	HAGVWJUFTQHNFW-PKTZIBPZSA-N	423.964	4.376	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc([N+](=O)[O-])cn3ccnc13)O2	587390456	QGFUPGNLIHVALU-QHCPKHFHSA-N	414.421	4.042	5	1	HIBF	
CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587512405	NMACBRPFSNLBMQ-XMMPIXPASA-N	423.465	4.374	5	1	HIBF	
CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587746737	KWFGRVDNVJEOTD-LZVRBXCZSA-N	422.254	4.078	5	1	HIBF	
COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	587938703	ZBUBXZUGYDVJIJ-ABKXIKBNSA-N	406.236	4.079	5	1	HIBF	
CN(C)CCN1C(=O)c2cccc3cc4ccc(NC(=O)C(C)(C)C)cc4c(c23)C1=O	27553544	DDPVQBZDHSMXPC-UHFFFAOYSA-N	417.509	4.135	5	1	HIBF	
COC(=O)c1cc2c3ccccc3[nH]c2c2cn(-c3cccc(Br)c3)c[n+]12	299844510	BQWIKPQEPYBIBS-UHFFFAOYSA-O	421.274	4.400	5	1	HIBF	
CCN(CC)CCn1c2ccccc2c(=O)c2cc3ncn(C4CCCC4)c3nc21	474609083	ODDNGIRZURXOJQ-UHFFFAOYSA-N	403.530	4.356	5	1	HIBF	
CCCCN(CCCC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23	100754937	NWEKMGOLRMYAJQ-UHFFFAOYSA-N	406.530	4.458	5	1	HIBF	
Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccc([N+](=O)[O-])c2)no1	138073639	ZMIVXSPLTZNUFE-UHFFFAOYSA-N	409.446	4.359	5	1	HIBF	
O=C1COc2cc3[nH]c(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)nc3cc2N1	587271850	JVKXGNWHROLWBU-UHFFFAOYSA-N	402.366	4.261	5	1	HIBF	
C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587261338	BCKQQCXGCUJRLN-FKTZTGRPSA-N	423.313	4.261	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1[N+](=O)[O-]	587782487	MEWQUYAQBDLHMS-UHFFFAOYSA-N	406.354	4.331	5	1	HIBF	
CS(=O)(=O)c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586927168	TYPXYBKVQHYDPI-UHFFFAOYSA-N	422.196	4.127	5	1	HIBF	
C[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1	587154083	CQRQTPIUUYRLHJ-KRWDZBQOSA-N	419.210	4.164	5	1	HIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(C)(C)C)c2[nH]1	587266259	KCERCVCDOQWEQB-APPDUMDISA-N	413.434	4.211	5	1	HIBF	
C[C@H]1C(=O)N(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(-c2ccccc2)cc1	13828842	DWMWJTCBRLSDKX-QVKFZJNVSA-N	422.462	4.170	5	1	HIBF	
CCOC(=O)c1cc2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c12)OCO4	34104921	AEFNAJHQIXFGJO-UHFFFAOYSA-N	405.406	4.464	5	1	HIBF	
Cc1[nH]nc2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)c1c(nc3c(c1N)CCCC3)O2	1857752621	QDELEYYBLZIYHT-INIZCTEOSA-N	411.849	4.422	5	1	HIBF	
O=C(/C=C/c1ccc(O)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1	34642159	MOBVCADYOZQWAY-KGVSQERTSA-N	416.393	4.206	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)nn2)c1	587270186	RSMNAKSPBURQCI-UHFFFAOYSA-N	412.409	4.298	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1	1772638567	UQLUFXPSTKMQEG-UHFFFAOYSA-N	412.449	4.259	5	1	HIBF	
O=[N+]([O-])c1cccc(OCC(COc2cccc([N+](=O)[O-])c2)NCc2ccccc2)c1	2178320192	NLCJUVHMYMZYTE-UHFFFAOYSA-N	423.425	4.119	5	1	HIBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC	775976	XMTPAKWQOKPODV-LBPRGKRZSA-N	419.478	4.339	5	1	HIBF	
C[N+]1(CCCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCCCC1	43010806	PLXASKOPCYOAAZ-UHFFFAOYSA-O	414.529	4.197	5	1	HIBF	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586882353	OSVSVDPMJQHTDD-UHFFFAOYSA-N	416.231	4.162	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c([N+](=O)[O-])cccc12	587576693	PIWGWIAFSGQMBX-OFNKIYASSA-N	403.390	4.494	5	1	HIBF	
C[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1	587173304	XTQXLOKKMGTFOM-QGZVFWFLSA-N	420.194	4.001	5	1	HIBF	
CC(C)(C)OC(=O)N[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C1CCCC1	587226055	OLVFIHOQNKGJRP-HNNXBMFYSA-N	405.411	4.135	5	1	HIBF	
O=c1c2cc(Cl)ccc2oc2cc(OCCCCCCO[N+](=O)[O-])cc(O)c12	1857748951	TUNWAUYKICMVJX-UHFFFAOYSA-N	407.806	4.453	5	1	HIBF	
CCn1ccc2ccc3c(c4c(c5c6ccccc6n(CCCO)c35)C(=O)NC4=O)c21	13535056	SUCCRAPOLSDVHK-UHFFFAOYSA-N	411.461	4.188	5	1	HIBF	
CCCCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC2CCCC2)=C1C	40565318	SDOZZJVZISKKNZ-LJQANCHMSA-N	401.463	4.221	5	1	HIBF	
N=c1[nH]cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc-2[nH]1	587038366	RSQSENDOLNVUSA-UHFFFAOYSA-N	421.467	4.053	5	1	HIBF	
CCCOc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br	587270543	MRSAMCXBCPCMKR-AWEZNQCLSA-N	419.279	4.265	5	1	HIBF	
N=C(/N=c1\scc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1)c1ccccn1	101611265	NFQUUCBAKJKZIS-SBHRATRZSA-N	401.451	4.435	5	1	HIBF	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc([N+](=O)[O-])cc3C2)CC1	100908813	XOSFZMMMGNXEFV-UWUNEBHHSA-N	403.523	4.427	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc([N+](=O)[O-])c12	587573455	BXKHZWANMADGIC-UGKGYDQZSA-N	402.362	4.485	5	1	HIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587274760	SHJRFKIEFRVGEM-SSDOTTSWSA-N	418.173	4.253	5	1	HIBF	
COc1ccc(Br)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CC(=O)O	587644377	WXVQDHUSSJWJNN-UHFFFAOYSA-N	405.204	4.141	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587413316	MRFVBURSBLZBSX-SCLBCKFNSA-N	404.216	4.029	5	1	HIBF	
COc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1OCc1ccc([N+](=O)[O-])cc1	963341120	KRGBIRSKUQRNHW-QHCPKHFHSA-N	406.438	4.123	5	1	HIBF	
COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587745618	HYSWNXDNYJTXAH-YPMLDQLKSA-N	409.255	4.303	5	1	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3ccccc3CO)cc2)c([N+](=O)[O-])cc1OC	653717423	CFHFWNNUEGMFGS-NRFANRHFSA-N	409.438	4.047	5	1	HIBF	
CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc([N+](=O)[O-])c3C)nc2c1	587260861	JILWAJAYBQLYNS-UHFFFAOYSA-N	404.220	4.386	5	1	HIBF	
COc1ccc2c(c1OC)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(F)F)N(C)[C@H](C)C2	962633272	UXJBEDPTRKCLDS-ASSNKEHSSA-N	406.429	4.192	5	1	HIBF	
CC(=O)N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587478	CFRQHVDOEKHYQS-OAQYLSRUSA-N	405.454	4.173	5	1	HIBF	
Cc1cc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c(C)n1	587054368	KFFMUOHGQXNTPO-INIZCTEOSA-N	401.854	4.263	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Cl	587161706	PXIRRPOOEMWDIQ-UHFFFAOYSA-N	407.192	4.224	5	1	HIBF	
CCCc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1CC(=O)O	1857630465	DZOAHJDVVYVAHQ-UHFFFAOYSA-N	407.857	4.302	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCn3cc([N+](=O)[O-])cn3)cc1)CC2=O	587472283	ZZWUBLISPICTEO-OAQYLSRUSA-N	423.425	4.192	5	1	HIBF	
COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-]	587576293	NYIYTBWSMNDWSI-SIKLNZKXSA-N	407.378	4.186	5	1	HIBF	
COc1cc(-c2ccc3c(c2)Nc2ccc(NC(N)=O)cc2NC3=O)ccc1[N+](=O)[O-]	89469097	PATWWFLETJRYOH-UHFFFAOYSA-N	419.397	4.070	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccc([N+](=O)[O-])cc12	587579386	ZHGJMFQIHYXSRW-DENIHFKCSA-N	402.362	4.485	5	1	HIBF	
COc1ccc(Br)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CC(=O)O	587644130	NNMJXWLWXQPQAI-UHFFFAOYSA-N	405.204	4.141	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1	587268719	CFDZHZIHQGHSKW-UHFFFAOYSA-N	412.759	4.152	5	1	HIBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2nc(Br)c[nH]c-2n1	586969767	XZJKXFZAYPESAE-UHFFFAOYSA-N	408.281	4.390	5	1	HIBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	587270478	ZMQVPRUWEWEKCC-UHFFFAOYSA-N	415.711	4.415	5	1	HIBF	
COc1cccc(-c2cc(CCn3cnc([N+](=O)[O-])n3)nc3c2oc2ccccc23)c1	587362250	GDCLTYJBBPQMDJ-UHFFFAOYSA-N	415.409	4.399	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1ccc([N+](=O)[O-])cc12	587577914	UULJRGMZFZUZHE-KNQAVFIVSA-N	403.346	4.064	5	1	HIBF	
COc1cccc2c3c(cnc12)CCN[C@@H]3c1coc(-c2ccc([N+](=O)[O-])cc2)n1	963049235	BIXMJOPCLHAFFG-OAQYLSRUSA-N	402.410	4.042	5	1	HIBF	
CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4081804	QBIHYZHFKVQVDR-RDJZCZTQSA-N	408.241	4.082	5	1	HIBF	
O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c([N+](=O)[O-])c1	587264036	JBGIHMKOEQETGM-UHFFFAOYSA-N	411.599	4.386	5	1	HIBF	
O=C(COc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1ccccc1F	587154175	LYGRUKPHTMWYPR-UHFFFAOYSA-N	406.373	4.295	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c([N+](=O)[O-])cc(F)cc12	587572367	SJDIPOOLPUOVRI-AVRDEDQJSA-N	423.352	4.079	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587748124	UVSGCASXRCMZJR-PWJLMRLQSA-N	410.199	4.028	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N1	587748917	BPEUUMDLVNAGCK-YRILPIOLSA-N	423.286	4.238	5	1	HIBF	
O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1ccccc1	1857612914	JUMHCPYUPLFIFJ-UHFFFAOYSA-N	401.382	4.240	5	1	HIBF	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82214791	DSDOIIXFJWLXGT-AUUYWEPGSA-N	409.490	4.182	5	1	HIBF	
O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1ccc([N+](=O)[O-])cc1	29062151	GYKIUADIZSYZGZ-UHFFFAOYSA-N	401.466	4.448	5	1	HIBF	
C[N@@+]1(Cc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	261129644	KVBKUXNXDGXGGR-QCDSWUKFSA-O	412.557	4.375	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1cc4c(=O)c5ccccc5oc4nc1C)[C@@H](C2)C3=O	587435561	HDEQNJNTPWXFCI-AVRWGWEMSA-N	413.429	4.321	5	1	HIBF	
O=[N+]([O-])c1nn(Cc2ccc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)o2)cc1Cl	963102461	KFLNPXLBXFYYSD-KUHUBIRLSA-N	416.840	4.335	5	1	HIBF	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c3ccccc3oc2c1	1857772939	OYJRNIGCMQSUEQ-IBGZPJMESA-N	411.454	4.401	5	1	HIBF	
Nc1sc2c(c1C(=O)c1ccccc1)CCN(CCc1ccc([N+](=O)[O-])cc1)C2	26145661	LPDXACNTICXBPM-UHFFFAOYSA-N	407.495	4.070	5	1	HIBF	
CCN1CCN2Cc3c(c4cc(OC)c(OC)cc4c4cc(OC)ccc34)C[C@H]2C1	72112996	BGBNUTIAZVSOKT-INIZCTEOSA-N	406.526	4.081	5	1	HIBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587341682	KNVWZYFQQGFKNT-JTHBVZDNSA-N	421.380	4.283	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc([N+](=O)[O-])cc1)CC2=O	587472920	OJAJEUAICBXJNL-QFIPXVFZSA-N	413.426	4.067	5	1	HIBF	
CCc1nc2c(-c3ccc(Cl)cc3)nc3ccc(F)cc3c2c(=O)n1CC(=O)O	1857632051	ZQUIEGKZSGIWOL-UHFFFAOYSA-N	411.820	4.051	5	1	HIBF	
CC(C)COc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br	587274111	FYTRDTPNRIQGET-UHFFFAOYSA-N	422.283	4.098	5	1	HIBF	
O=C1C[C@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587507101	AGNNPJNWJAVQIX-JOCHJYFZSA-N	408.454	4.017	5	1	HIBF	
O=[N+]([O-])c1cc(N[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)ccc1CO	1857775184	GWOFSCGQHZVQSA-SFHVURJKSA-N	409.408	4.182	5	1	HIBF	
CCc1c(Cc2c(F)cccc2F)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O	28862866	RCEBXHQNKSKNRF-UHFFFAOYSA-N	417.437	4.402	5	1	HIBF	
Cc1ccc(-n2cnnc2SCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1Cl	586967911	ISBIJGFLYNXWRH-UHFFFAOYSA-N	418.841	4.445	5	1	HIBF	
CCCCOc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br	587268369	TZLZQHZAVWXHQL-UHFFFAOYSA-N	420.267	4.420	5	1	HIBF	
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c1ccc([N+](=O)[O-])cc12	1772584097	NJHICZVZUZOXLA-UHFFFAOYSA-N	413.393	4.282	5	1	HIBF	
Cc1nc(C(=O)NCCC(C)C)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	13478206	BTBNUROQXWSCIO-HXUWFJFHSA-N	416.503	4.175	5	3	HIBF	
COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1	587147434	MUAZAKWPNBVAJX-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(F)c(Br)n3)nc12	587156151	WSWUBDSVGODFNG-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
COc1ccc2c(c1OC)[C@H](C[N+](=O)[O-])N(C)c1c-2ccc2cc3c(cc12)OCO3	1857761334	YUPQSBIPWDMDLX-INIZCTEOSA-N	408.410	4.020	5	1	HIBF	
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(C[N+](C)(C)C)cc1	40822262	PIJANTJONDAQTF-QHCPKHFHSA-O	424.565	4.156	5	1	HIBF	
COCCn1c(=O)c2ccccc2c2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21	71296329	BKXBAHNKJYFRHU-UHFFFAOYSA-N	419.321	4.113	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(I)cc3[nH]2)c1	587262030	LJXDUYDDDNAPPD-UHFFFAOYSA-N	423.210	4.006	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	587342180	LZLHSQGSEGDPRU-FYYLOGMGSA-N	421.380	4.476	5	1	HIBF	
O=C(c1ccc(S(=O)(=O)c2ccccc2Cl)c([N+](=O)[O-])c1)N1CCCCCC1	3020375	XMYSPEXUTQVECD-UHFFFAOYSA-N	422.890	4.097	5	3	HIBF	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587115973	HRKALQCXRGCMRI-UHFFFAOYSA-N	424.564	4.306	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@H]21	587027518	RNOPQVKCRFSJLP-IMJJTQAJSA-N	411.487	4.003	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F	587118274	KZMATBZBZUNQFM-UHFFFAOYSA-N	422.754	4.450	5	1	HIBF	
Cc1nn(Cc2ccccc2-c2nc3c(F)cnc(Cl)c3[nH]2)c(C)c1[N+](=O)[O-]	587267355	JIAZNDQGGUQJSY-UHFFFAOYSA-N	400.801	4.187	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2=O	587472713	LHSMZSJPBIPLQZ-OAQYLSRUSA-N	401.415	4.151	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2ccc(F)c(Cl)c12	587631824	WBUKEUHHKIOFQX-UHFFFAOYSA-N	420.780	4.295	5	1	HIBF	
C[C@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857615099	WIAUAPVGOBKTQQ-INIZCTEOSA-N	418.368	4.235	5	1	HIBF	
COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3cccc([N+](=O)[O-])c3)CC1)C2	3789953	SQRIUXQNIAMKTL-LJQANCHMSA-N	424.497	4.269	5	1	HIBF	
CC(C)Oc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1	299851973	LNDVXUHMGSVNJL-UHFFFAOYSA-N	402.403	4.120	5	1	HIBF	
Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	586945478	GLNKVNODKRAYPA-UHFFFAOYSA-N	405.479	4.487	5	1	HIBF	
CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCC	4213809	LZTZEZPAANKXGQ-PMACEKPBSA-N	419.478	4.254	5	1	HIBF	
C[C@H]1CN(c2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])C[C@H](C)O1	8663097	XVCLOYOIVUAIEU-IRXDYDNUSA-N	419.485	4.200	5	1	HIBF	
COc1cc2cc(CCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5	40845369	AQQKURMSZKXWGP-UHFFFAOYSA-N	404.466	4.391	5	1	HIBF	
CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1cccc(Cl)c1	587071988	RNUUABPMOLEWLG-AWEZNQCLSA-N	417.853	4.328	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1	587269266	JRJSCZIBYSPKNE-UHFFFAOYSA-N	420.256	4.193	5	1	HIBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)cc1	587271889	KQERFYAWZOKODJ-UHFFFAOYSA-N	411.395	4.177	5	1	HIBF	
CC(C)Oc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275360	CTAWSLVGAGQSCH-SNVBAGLBSA-N	408.256	4.021	5	1	HIBF	
CCCOc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc([N+](=O)[O-])c1O	587473225	RIPDMCHPTNPANH-SFHVURJKSA-N	401.415	4.454	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N1	587748916	BPEUUMDLVNAGCK-VZSAFFHGSA-N	423.286	4.238	5	1	HIBF	
CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775795	GQUBIIQHUIBVAT-SMDDNHRTSA-N	423.897	4.338	5	1	HIBF	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149669	GJQCDOZGUGQOCD-IRXDYDNUSA-N	423.517	4.160	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)ncc2[nH]1	587108844	AKQGJFQHNRCYTN-UHFFFAOYSA-N	401.142	4.238	5	1	HIBF	
COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)C2	3814289	ACJJKDSOGZQROR-LJQANCHMSA-N	424.497	4.269	5	1	HIBF	
Cc1cc(N(C)Cc2nc3cc(Br)c(C)nc3[nH]2)c([N+](=O)[O-])cc1F	587136055	AVPXQGUTGMLVSO-UHFFFAOYSA-N	408.231	4.021	5	1	HIBF	
O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1	587273904	PUGOOOGJNTZPSB-UHFFFAOYSA-N	418.173	4.082	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1[N+](=O)[O-])CC2=O	587472712	LHSMZSJPBIPLQZ-NRFANRHFSA-N	401.415	4.151	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1ccc([N+](=O)[O-])n1	587859199	CLUDPRUWKJEQDW-UHFFFAOYSA-N	424.244	4.091	5	1	HIBF	
CCCCc1ccc(S(=O)(=O)Oc2ccc3c(C)cc(=O)oc3c2[N+](=O)[O-])cc1	1772635787	VOKQKDCVSRJUEU-UHFFFAOYSA-N	417.439	4.120	5	1	HIBF	
O=[N+]([O-])c1ccc(CNc2nc(NCc3ccc(Cl)cc3)nc3[nH]cnc23)cc1	89455118	BJTPGLSFPAVSDT-UHFFFAOYSA-N	409.837	4.139	5	1	HIBF	
O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1cccc(F)c1	1857549602	ZZTHDYCBBTXPHQ-UHFFFAOYSA-N	419.372	4.379	5	1	HIBF	
CCO/C(O)=C1/C(C)=Nc2nc(SCC)nc(O)c2[C@H]1c1ccc([N+](=O)[O-])cc1	104056688	RTFBAVBXSSVKAQ-RVAQLADHSA-N	416.459	4.246	5	1	HIBF	
CC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	587746308	JMPNZNNAFZUOCV-WYRIXSBYSA-N	421.266	4.253	5	1	HIBF	
COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	587938706	ZBUBXZUGYDVJIJ-XXFAHNHDSA-N	406.236	4.079	5	1	HIBF	
C[N+](C)(CCN1CC(c2ccccc2)(c2ccccc2)NC1=O)Cc1ccccc1	34802325	POYPWMLCUXGEFJ-UHFFFAOYSA-O	400.546	4.232	5	1	HIBF	
Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-]	587661006	KKKAQWLOWWRGKE-UHFFFAOYSA-N	403.369	4.108	5	1	HIBF	
O=C(Nc1cccc(Nc2ccnc(NC(=O)C3CC3)c2)c1)c1cccc([N+](=O)[O-])c1	653851992	WBZDZPAJFBUGOG-UHFFFAOYSA-N	417.425	4.334	5	1	HIBF	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	587041543	XGTJRPONRZBAJW-SFHVURJKSA-N	412.471	4.066	5	1	HIBF	
CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587574371	FZYPNPFQVIZFLT-DENIHFKCSA-N	406.394	4.219	5	1	HIBF	
COc1ccccc1C(=O)Nc1nc(Cl)ncc1Sc1ccc([N+](=O)[O-])cc1	1772596893	RDZBZARALRUFBL-UHFFFAOYSA-N	416.846	4.450	5	1	HIBF	
Cc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc([N+](=O)[O-])cc1	1857590881	XFLDVCIWKYCAMR-UHFFFAOYSA-N	404.348	4.038	5	1	HIBF	
CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	82214802	ATTNOGLYCMSWNK-UHFFFAOYSA-N	405.458	4.194	5	1	HIBF	
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	101717428	JDQXWWXVVCJDAW-ZMESVYRVSA-N	412.398	4.276	5	1	HIBF	
CCCCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21	963634544	KIKDZTBUHLTMIG-FPTDNZKUSA-N	400.475	4.415	5	1	HIBF	
O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1	95587799	GNYFAIKKPJTAMD-QZTJIDSGSA-N	412.490	4.189	5	1	HIBF	
O=C1CC(=O)c2[nH]c3c4[nH]c5c(c4c4cn(Br)cc4c3c2C1)CCC=C5	101151415	NFAYQVIGCOLOHH-UHFFFAOYSA-N	408.255	4.419	5	1	HIBF	
CCOC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(OC)cc(OCC)cc13)OCO2	238758368	AMQUKPWZEWSBRD-UHFFFAOYSA-N	413.382	4.214	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	587743980	CGYUKMVJEDSILB-BTDLBPIBSA-N	409.255	4.323	5	1	HIBF	
COc1ccc2c(c1)nc(C(=O)O)c1c3cccc(I)c3[nH]c21	473108568	NNSGCMOBDRALMM-UHFFFAOYSA-N	418.190	4.181	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)nc1C(F)(F)F	587117476	DPTSIQNFVCHBNE-UHFFFAOYSA-N	422.754	4.450	5	1	HIBF	
Cc1ccc([N+](=O)[O-])cc1[S@](=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1	28641297	ADSDNLVIHODCEH-HHHXNRCGSA-N	418.887	4.495	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587749292	DPLIMYIFTMKYDF-MGNBDDOMSA-N	405.223	4.180	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)F)cc3)c1)C2	45288513	DFZXDGQUQZZLAN-KRWDZBQOSA-N	417.368	4.038	5	1	HIBF	
CCCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC)C(C)=N1	169723419	JNFKJKFQCOKNLJ-RBUKOAKNSA-N	416.474	4.340	5	1	HIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577364	RYQBRWZXZGSGPK-UGKGYDQZSA-N	423.377	4.021	5	1	HIBF	
O=[N+]([O-])c1ccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(F)c1	962960548	RVXRTLUTLMPFIK-SFHVURJKSA-N	410.367	4.494	5	1	HIBF	
O=Nc1c([C@H]2C(=O)Nc3c(Br)cc([N+](=O)[O-])cc32)[nH]c2ccccc12	169722501	JLUOBEGMQQMPHV-LBPRGKRZSA-N	401.176	4.321	5	1	HIBF	
COCCNc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1[N+](=O)[O-]	587261733	HHTSHADIRBZJJB-UHFFFAOYSA-N	416.437	4.427	5	1	HIBF	
COC(=O)c1ccc(Oc2ccc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3c2)cc1	587268611	GXOQKXMZFQQBKL-UHFFFAOYSA-N	419.397	4.057	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])cn1	587859765	IDPVKRGRZBUMGF-JTQLQIEISA-N	424.244	4.262	5	1	HIBF	
C[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1	587172878	OKTQAISDNBSDMJ-KRWDZBQOSA-N	420.194	4.001	5	1	HIBF	
CN(C(=O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1N1CCCC1	26839334	BTQIFFARIIWFPU-IRXDYDNUSA-N	414.333	4.310	5	1	HIBF	
O=C1C[C@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)Oc2c1ccc1c2CCCC1	587513307	RIVIXLLJQTVGEV-QHCPKHFHSA-N	403.438	4.231	5	1	HIBF	
O=C(NCCCOc1cccc(CN2CCCCC2)c1)Nc1cccc([N+](=O)[O-])c1	13725186	NCHFMUPYWCKMIZ-UHFFFAOYSA-N	412.490	4.171	5	1	HIBF	
O=[N+]([O-])c1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)cc1	95576688	RQKXRUKPGMEBMA-UHFFFAOYSA-N	414.013	4.165	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)O2	587410456	MXMNCDFPVAPADZ-KRWDZBQOSA-N	408.439	4.133	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(Br)c1O)CC2=O	587457287	XKRPNOXFUBSMMH-MRXNPFEDSA-N	422.231	4.428	5	1	HIBF	
O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)Oc2c1ccc1c2CCCC1	587513420	SEBNDHDLYSLOSX-QFIPXVFZSA-N	408.454	4.017	5	1	HIBF	
O=[N+]([O-])c1ccc(CN2CCN([C@H](c3ccccc3)[C@@H](O)c3ccccc3)CC2)cc1	169326378	SBUDQVKTHCUTGI-RPBOFIJWSA-N	417.509	4.187	5	1	HIBF	
C[C@]1(COc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)Cn2cc([N+](=O)[O-])nc2O1	653726173	RUBSSEHODLIZFC-GOSISDBHSA-N	420.347	4.102	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccc([N+](=O)[O-])cc12	587577912	UULJRGMZFZUZHE-DENIHFKCSA-N	403.346	4.064	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N1	587748914	BPEUUMDLVNAGCK-CDNVCLAFSA-N	423.286	4.238	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(CC)cc1[N+](=O)[O-]	587859082	BGAPTBBQKRFWTM-UHFFFAOYSA-N	424.244	4.069	5	1	HIBF	
CCOc1cc(/C=C/c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(Br)c1OC	586978580	XLOXGHZYBMSVHX-SNAWJCMRSA-N	419.235	4.206	5	1	HIBF	
Cc1ccc(CNC(=O)[C@H]2CCCN2c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	82195667	OQSASKVPQMUPRC-HXUWFJFHSA-N	422.510	4.312	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCn3cc([N+](=O)[O-])cn3)c1)CC2=O	587469365	CZDDGYATHZKYMA-OAQYLSRUSA-N	423.425	4.192	5	1	HIBF	
COc1cc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)ccc1[N+](=O)[O-]	587509475	HMIALRSFCSNBPS-UHFFFAOYSA-N	422.481	4.487	5	1	HIBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC	587573477	CEFGCHSVNIWISK-DENIHFKCSA-N	423.377	4.021	5	1	HIBF	
COc1cc2c(cc1O)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2	29125431	RWGPRVWPJKEHLU-UHFFFAOYSA-N	407.382	4.294	5	1	HIBF	
CC(C)c1ccc2nc3ccc(C(=O)N[C@@H](C)CCc4cccnc4)cn3c(=O)c2c1	29564163	PILGFSAXHNUWPL-KRWDZBQOSA-N	414.509	4.117	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587751484	MYHSXAPFPRLLJU-MLCYQJTMSA-N	407.239	4.057	5	1	HIBF	
COc1ccc(CCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC	587925189	CEAXNWHJYKWVJF-UHFFFAOYSA-N	420.263	4.426	5	1	HIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1	587871581	KIVZCQDNYUSKKR-AWEZNQCLSA-N	413.405	4.412	5	1	HIBF	
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCCN(C)C)c2c1Cl	27547572	KYZYVMVRVOIDMJ-UHFFFAOYSA-N	401.854	4.193	5	1	HIBF	
Nc1ccccc1Sc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-]	1911583868	HPXWFHWSHIEZJC-UHFFFAOYSA-N	409.423	4.279	5	1	HIBF	
CNc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587574373	FZYPNPFQVIZFLT-SIKLNZKXSA-N	406.394	4.219	5	1	HIBF	
O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1)c1cccs1	587019968	VDURFDUJYKLXQZ-UHFFFAOYSA-N	419.875	4.486	5	1	HIBF	
O=C1C[C@@H](c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1	587507102	AGNNPJNWJAVQIX-QFIPXVFZSA-N	408.454	4.017	5	1	HIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577362	RYQBRWZXZGSGPK-SIKLNZKXSA-N	423.377	4.021	5	1	HIBF	
O=[N+]([O-])c1cc(Cl)c(Nc2ccc3nc(O)[nH]c3c2)cc1OC1CCOCC1	1772604966	PLNHZWDKSADKGN-UHFFFAOYSA-N	404.810	4.132	5	1	HIBF	
CCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	49088431	KDHIMAMSNLLFIM-FQEVSTJZSA-N	416.474	4.126	5	1	HIBF	
C[C@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-]	587104819	KALJRNITRPUSJV-XFBWCDHKSA-N	402.406	4.015	5	1	HIBF	
C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587329850	ARFGISLIWZBPMC-RBBKRZOGSA-N	409.369	4.419	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587723627	YCCUIUKNECERKI-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577552	SPTNHIIVQSUJPE-SIKLNZKXSA-N	406.394	4.069	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CCCCNC3	14945569	HCHFQFVBCUYUIQ-UHFFFAOYSA-N	408.461	4.196	5	1	HIBF	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82214793	DSDOIIXFJWLXGT-IFXJQAMLSA-N	409.490	4.182	5	1	HIBF	
O=C(NC1CCCCC1)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	82222838	IFMDTIIUNVMKBK-SFHVURJKSA-N	400.504	4.136	5	1	HIBF	
C[N+]1(C[C@H]2c3ccccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209466831	HAGVWJUFTQHNFW-GOTSBHOMSA-N	423.964	4.376	5	1	HIBF	
O=[N+]([O-])c1cccc(CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)c2)n2cnnc2)c1	1857606206	RPUHMNRARBRKSR-UHFFFAOYSA-N	416.397	4.231	5	1	HIBF	
CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82134541	DTJWKXUHCLOUTD-IYBDPMFKSA-N	411.506	4.064	5	1	HIBF	
O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	103204764	AZHXOEIMGGFAAW-UHFFFAOYSA-N	411.377	4.011	5	1	HIBF	
O=[N+]([O-])c1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1	587264257	KRBKHTLIPYVFIM-UHFFFAOYSA-N	413.134	4.011	5	1	HIBF	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587579100	YJWRZBUWKMNOPX-MGPUTAFESA-N	423.425	4.034	5	1	HIBF	
CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587746738	KWFGRVDNVJEOTD-NIVTXAMTSA-N	422.254	4.078	5	1	HIBF	
COCCOc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1[N+](=O)[O-]	587265904	SFMQPFLQSLWKCC-UHFFFAOYSA-N	406.236	4.234	5	1	HIBF	
COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587745606	HYSWNXDNYJTXAH-MGNBDDOMSA-N	409.255	4.303	5	1	HIBF	
COc1ccc(CCCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(OC)c1	587929101	QFSACQULMYOGFE-UHFFFAOYSA-N	420.263	4.426	5	1	HIBF	
COc1cccc2cc3c(nc12)[C@H](c1cc(Br)c([N+](=O)[O-])s1)NCC3	963047346	NZBGREATVVLCDF-INIZCTEOSA-N	420.288	4.211	5	1	HIBF	
O=C(O)c1ccc(Cn2cc(-c3ccc(-c4ccccc4)cc3)nn2)c([N+](=O)[O-])c1	66114039	RCZYVGFQNYJZNR-UHFFFAOYSA-N	400.394	4.267	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)ncc2[nH]1	587056685	SRVPNCKAZZNPNB-OAHLLOKOSA-N	408.245	4.300	5	1	HIBF	
Cc1c(Br)cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1C	587268760	DFZIFMWXPNLHBD-UHFFFAOYSA-N	404.220	4.242	5	1	HIBF	
O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1cccc([N+](=O)[O-])c1	1857621467	QLKZZWVWKWXSEB-UHFFFAOYSA-N	411.421	4.225	5	1	HIBF	
Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587115770	ANZMUNZPEFZMGF-UHFFFAOYSA-N	424.564	4.306	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1	587168436	WBNYBVQFAWMPTL-UHFFFAOYSA-N	418.431	4.140	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12	587177402	HUTHLEWEKUPZTP-UHFFFAOYSA-N	406.215	4.035	5	1	HIBF	
COC(=O)c1cccc2nc3c(C(=O)[C@H](CCCC(C)C)C(=O)OC)cccc3nc12	2356819840	FFSIJVUDNOOKTG-KRWDZBQOSA-N	422.481	4.368	5	1	HIBF	
Cc1c2ccnc(C(=O)NCCCN3CCCC3)c2cc2c3cc(O)ccc3n(C)c12	26492736	FEFFDDXGXBRRRG-UHFFFAOYSA-N	416.525	4.109	5	1	HIBF	
COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-]	587746081	IYOCILYSOZZSMN-XTZNXHDOSA-N	409.255	4.303	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)c([N+](=O)[O-])cc1OC	653714304	ZPWQFTPINGOYKH-HXUWFJFHSA-N	424.409	4.463	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2)c([N+](=O)[O-])cc1OC	653717465	LBBNRFJTFDZISK-HXUWFJFHSA-N	424.409	4.463	5	1	HIBF	
COc1cccc2cc3c(nc12)[C@@H](c1cc(Br)c([N+](=O)[O-])s1)NCC3	963047347	NZBGREATVVLCDF-MRXNPFEDSA-N	420.288	4.211	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587419029	RIILVWCVCJBNFP-SCLBCKFNSA-N	404.216	4.029	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587743382	APQRGNDJJSIZEU-HUTHGQBESA-N	424.226	4.202	5	1	HIBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(F)cc2F)cc1	13584396	OKVUHGMXFIPCFE-UHFFFAOYSA-N	413.409	4.353	5	1	HIBF	
CC(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3C(N)=O)n2)cc1	64553253	HOUOUCSBWBMITB-UHFFFAOYSA-N	406.446	4.268	5	1	HIBF	
CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	587268396	VNMJEADPBCOGIO-UHFFFAOYSA-N	403.748	4.391	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)nn2)c1	587270626	XFMWCERVWWNBHU-UHFFFAOYSA-N	419.626	4.135	5	1	HIBF	
C[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277533	XRPFXJDSHCSKQG-ZCFIWIBFSA-N	404.146	4.058	5	1	HIBF	
CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1Br	587644252	RLVATKOAUFQFJO-UHFFFAOYSA-N	417.215	4.246	5	1	HIBF	
Cc1cc([N+](=O)[O-])ccc1NC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660569	GZMXLGKCMYDELX-UHFFFAOYSA-N	418.384	4.499	5	1	HIBF	
O=C(COc1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)Nc1ccccc1F	587154117	JBTVQYGGAUMBHG-UHFFFAOYSA-N	424.363	4.434	5	1	HIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587273758	LLOVRPPQCQQVPK-SSDOTTSWSA-N	418.173	4.253	5	1	HIBF	
CCOc1cc(/C=C\c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC	586978605	YKVYDZUIXMVGEX-PLNGDYQASA-N	419.235	4.206	5	1	HIBF	
CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	772805	ZQZUQZFXTCGPGU-NVXWUHKLSA-N	408.241	4.082	5	1	HIBF	
CN(C)CCN1C(=O)c2c(c3c4ccc(O)cc4[nH]c3c3cc4ccccc4cc23)C1=O	28478065	BTOMCFZTOQJNSW-UHFFFAOYSA-N	423.472	4.491	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2	72124759	NELHGNKIZTVOEP-INIZCTEOSA-N	421.331	4.197	5	1	HIBF	
Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc([N+](=O)[O-])ccc1F	84709837	WXEHEFYPWDXNCT-UHFFFAOYSA-N	421.384	4.099	5	1	HIBF	
O=[N+]([O-])c1ccn(CCCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1	587273578	LYSDSFWWXDXOSG-UHFFFAOYSA-N	418.173	4.082	5	1	HIBF	
COc1ccc2c(c1OC)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(F)F)N(C)[C@@H](C)C2	962633277	UXJBEDPTRKCLDS-ZSEKCTLFSA-N	406.429	4.192	5	1	HIBF	
CN1c2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)C(=O)C1(C)C	1911570708	LTMWGYHCXAKNCD-UHFFFAOYSA-N	412.515	4.479	5	1	HIBF	
CCCCCOc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br	587267580	AGVFZALSLKXSRV-UHFFFAOYSA-N	420.267	4.447	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1	587270208	SIOJSXKRDOLRPP-UHFFFAOYSA-N	420.256	4.193	5	1	HIBF	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C2)C3=O	587432787	LTEVLDRXVWXXBU-PNLZDCPESA-N	424.409	4.356	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2ccccc2[N+](=O)[O-])N1	587746689	KFOXBTPCBNAEOT-ZMZPIMSZSA-N	409.255	4.325	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3ccccc3CO)cc2)c([N+](=O)[O-])cc1OC	653717424	CFHFWNNUEGMFGS-OAQYLSRUSA-N	409.438	4.047	5	1	HIBF	
O=[N+]([O-])c1ccc(-c2nnc(Cn3c(CN4CCCCC4)nc4ccccc43)o2)cc1	1911580098	GJPXEJHDTKOTOV-UHFFFAOYSA-N	418.457	4.029	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2=O	587468815	BFONJUHZQHOXKT-HXUWFJFHSA-N	407.426	4.360	5	1	HIBF	
C[C@@H]1Cc2onc(-c3cc(Cl)ccc3[N+](=O)[O-])c2C(=O)N1C(=O)OC(C)(C)C	209983005	ZUCBDDCIQSTMSY-SECBINFHSA-N	407.810	4.225	5	3	HIBF	
CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049905	AFLGXDXCLKSMJN-MJGOQNOKSA-N	401.850	4.256	5	1	HIBF	
Cc1nnc(O)c2c1c1cc(Br)ccc1n2Cc1cccc([N+](=O)[O-])c1	84739456	XZNVQNCTBPDYRL-UHFFFAOYSA-N	413.231	4.318	5	1	HIBF	
CNC(=O)c1cccc(-c2cccc(Cc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)c1	587232655	YCGIRFSTSUBXCT-UHFFFAOYSA-N	404.401	4.228	5	1	HIBF	
O=C(NC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1Cl	1772616669	FRCMFWOHRKPGFG-UHFFFAOYSA-N	408.285	4.296	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)NC[C@H]1CCCN1C3	103273894	SWXYZMSGBZGXRW-CQSZACIVSA-N	408.498	4.417	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12	587171016	XCOMIRJDOHRFID-UHFFFAOYSA-N	412.402	4.078	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2cc(Cl)c(F)cc12	587631853	XLRWDCHTQWUXJU-UHFFFAOYSA-N	420.780	4.295	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Cl)nc2[nH]1	587056872	VKWXIKLIFCCTCC-AWEZNQCLSA-N	408.245	4.300	5	1	HIBF	
CCN(CC)CCNC(=O)c1cc2c(c3oc4ccccc4c(=O)c13)C=CC(C)(C)O2	29226037	SPOISHFYIDHDOA-UHFFFAOYSA-N	420.509	4.202	5	1	HIBF	
O=C1C[C@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)Oc2c1ccc1c2CCCC1	587512536	OTBYMMIBYBRFHF-OAQYLSRUSA-N	419.437	4.413	5	1	HIBF	
O=C1C[C@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)Oc2c1ccc1c2CCCC1	587514552	ZMSMKFZOYJNKNT-JOCHJYFZSA-N	419.437	4.413	5	1	HIBF	
Cc1[nH]nc2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)c1c(nc3c(c1N)CCCC3)O2	1857752623	QDELEYYBLZIYHT-MRXNPFEDSA-N	411.849	4.422	5	1	HIBF	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135691	NAHTXVMYAKAKNA-CALCHBBNSA-N	423.517	4.160	5	1	HIBF	
CCOC(=O)[C@@](Cc1ccccc1)(Nc1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1	206047290	YHDJSVYPJOUDKC-VWNXMTODSA-N	420.465	4.285	5	3	HIBF	
CC(C)(C)[C@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(N)=O)c2C1	45254632	RTCKEJYEZRHNMB-NSHDSACASA-N	401.488	4.159	5	1	HIBF	
COCCOc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1[N+](=O)[O-]	587264195	CQGBRPWUISVFFY-UHFFFAOYSA-N	417.421	4.394	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587750397	HXLKZIXDNIIBMZ-OVWNDWIMSA-N	421.266	4.229	5	1	HIBF	
O=[N+]([O-])c1nn(Cc2ccc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)o2)cc1Cl	963102462	KFLNPXLBXFYYSD-LIRRHRJNSA-N	416.840	4.335	5	1	HIBF	
CC(C)CN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1	82135573	GKXCQDDLHNIRLF-UHFFFAOYSA-N	411.506	4.016	5	1	HIBF	
CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CC[C@@H]2CCCN2C)cc1	43152312	LCSAQCJYMFXOFN-SFHVURJKSA-N	408.502	4.418	5	1	HIBF	
COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573898	DJDGGSRXFPMWBK-NFBKMPQASA-N	421.405	4.272	5	1	HIBF	
CC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587746305	JMPNZNNAFZUOCV-JEOXALJRSA-N	421.266	4.253	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2nc3ccccc3c(=Nc3ccc4c(c3)OCCO4)[nH]2)c1	1857633743	OMKIKZHXUWUGMI-UHFFFAOYSA-N	400.394	4.142	5	1	HIBF	
O=C1C[C@@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)Oc2c1ccc1c2CCCC1	587510470	ANQUZHZKHQVAHY-QFIPXVFZSA-N	419.437	4.413	5	1	HIBF	
CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1Br	587644174	OWGAUUYZBXUWBI-UHFFFAOYSA-N	417.215	4.246	5	1	HIBF	
CN(C)CCCNCc1c2ccccc2c(CNCCCN(C)C)c2ccccc12	28761895	WMZUPVSTHUTHTA-UHFFFAOYSA-N	406.618	4.076	5	1	HIBF	
O=c1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cn1Cc1ccc(Cl)cc1Cl	587054363	GTIMTLWSYKLQJL-UHFFFAOYSA-N	416.224	4.050	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)nc1C(F)(F)F	587118096	JSGGVVFOCJTHDR-UHFFFAOYSA-N	422.754	4.450	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1	587270217	SNRKFTAKKNXGEZ-UHFFFAOYSA-N	420.256	4.193	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc([N+](=O)[O-])c1Cl	587546427	QQTNAWRRZPISGC-JXFKEZNVSA-N	413.769	4.362	5	1	HIBF	
O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc3cc4ccccc4cc3nc2O)N1	963229594	PKROZIMNTXDNMB-ZEQRLZLVSA-N	421.456	4.330	5	1	HIBF	
CCc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)s1	82163612	BGHQWGJKFCOWNO-OAHLLOKOSA-N	411.487	4.329	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587750547	IQIHVSLMVPDETQ-MGNBDDOMSA-N	407.239	4.057	5	1	HIBF	
O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086340	UYNKEMKVJWUBPC-UHFFFAOYSA-N	422.510	4.113	5	1	HIBF	
COc1ccc(F)c([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1	299839001	PGUNKTAJAVKLPO-SFHVURJKSA-N	413.408	4.299	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)c1	587269764	ONIMMAMWMSLCMR-UHFFFAOYSA-N	415.453	4.032	5	1	HIBF	
CC/C(=C(\c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1772585694	LFSCPQMHLKVFMR-GYHWCHFESA-N	416.481	4.443	5	1	HIBF	
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c1cc([N+](=O)[O-])ccc12	1772586037	CYRRIRHATPNRCW-UHFFFAOYSA-N	413.393	4.282	5	1	HIBF	
COc1cc(-n2nc(-c3ccc([N+](=O)[O-])cc3)c3cccnc32)cc(OC)c1OC	1911586664	KLOXRLIOGDUTPV-UHFFFAOYSA-N	406.398	4.022	5	1	HIBF	
CCN(CCCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccccc1	13738600	UURLKHJUYCDSMJ-UHFFFAOYSA-N	409.486	4.273	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)cc1[N+](=O)[O-])CC2=O	587458533	KQUCFNPOEKRLKA-HNNXBMFYSA-N	407.220	4.117	5	1	HIBF	
C[C@@]1(COc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587578804	XQUICKCIIICOKC-UGKGYDQZSA-N	407.378	4.100	5	1	HIBF	
CCc1cnc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)s1	82174460	XXWOIYLECRCCLX-OAHLLOKOSA-N	411.487	4.329	5	1	HIBF	
CCOc1cc(/C=C/c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(Br)c1OC	586978606	YKVYDZUIXMVGEX-SNAWJCMRSA-N	419.235	4.206	5	1	HIBF	
CC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587055911	RHVIQLQKKYXEDQ-GOSISDBHSA-N	414.849	4.454	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccc([N+](=O)[O-])cc12	587579389	ZHGJMFQIHYXSRW-UGKGYDQZSA-N	402.362	4.485	5	1	HIBF	
CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1	13795379	GOQZAPJMTCQPMS-UHFFFAOYSA-N	402.406	4.048	5	1	HIBF	
COc1ccc2cc(CNCCCn3ccnc3)c3cc(OC)c(OC)cc3c2c1	1857620554	LNDXTDUUOOKORP-UHFFFAOYSA-N	405.498	4.395	5	1	HIBF	
C[C@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587330931	CJAVBKLKOMUCFI-IFMALSPDSA-N	408.385	4.296	5	1	HIBF	
CCN(CC)CCn1c2cc(OC)c(OC)cc2c2sc3ncccc3c(=O)c21	1857604431	YNIDLNXPZDZMSF-UHFFFAOYSA-N	411.527	4.123	5	1	HIBF	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl	64417041	ZXVKFLGWCJETSE-LJQANCHMSA-N	423.860	4.440	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc([N+](=O)[O-])c2[nH]1	587057932	YFEITAUIPAIXGX-OAHLLOKOSA-N	417.809	4.160	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)nn2)c1	587268896	CTOFFAMCVDKDMF-UHFFFAOYSA-N	406.349	4.331	5	1	HIBF	
O=[N+]([O-])c1ccc(NC[C@@H](O)CNc2ccc(-c3nc4ccccc4o3)cc2)cc1	1857604826	URHHEBOZEUBDLJ-IBGZPJMESA-N	404.426	4.288	5	1	HIBF	
CNC(=O)NCCCCC[n+]1ccc2c(C)c3c(c(C)c2c1)c1cc(O)ccc1n3C	169350001	PNRGMIFITDSMRD-UHFFFAOYSA-O	419.549	4.194	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccnc(Cl)c2[nH]1	587053924	HQAZBUXDUYJJMK-CYBMUJFWSA-N	408.245	4.300	5	1	HIBF	
CCC(=C(c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1857627960	LFSCPQMHLKVFMR-UHFFFAOYSA-N	416.481	4.443	5	1	HIBF	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N(c1ccccc1)c1ccccc1	73160218	VGNSNBYAAUHGTP-UHFFFAOYSA-N	416.481	4.082	5	1	HIBF	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135290	INTPJXCCVGRPNU-IAGOWNOFSA-N	423.517	4.303	5	1	HIBF	
COc1cc(OC)c(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl	101336089	MOLTWQSIGHLFKA-YJYMSZOUSA-N	419.821	4.035	5	1	HIBF	
O=C(c1ccccc1)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1	587093181	XTRYSAQEXNFVMR-UHFFFAOYSA-N	415.331	4.128	5	1	HIBF	
CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049907	AFLGXDXCLKSMJN-IEBWSBKVSA-N	401.850	4.256	5	1	HIBF	
CC(C)=CCc1c(C)cc2oc3c(O)cc4c(c3c(=O)c2c1O)C[C@@H](O)C(C)(C)O4	238758352	LZBDHOIXMLDLSD-GOSISDBHSA-N	410.466	4.249	5	1	HIBF	
Cc1c(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1C	587091187	BYAVHYIYTJANSO-UHFFFAOYSA-N	418.173	4.276	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@](CC[N+](=O)[O-])(c2ccccc2)[C@H]1c1ccc(F)cc1	587340508	VYOHAWSXCHPAJZ-JTHBVZDNSA-N	407.397	4.453	5	1	HIBF	
Cc1c(O[C@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c1oc(=O)c1ccccc12	587562539	DZQIHXQGSNLKCU-GFCCVEGCSA-N	415.405	4.144	5	1	HIBF	
C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587574662	GFCUHDLPIWEVFS-NQIIRXRSSA-N	422.349	4.086	5	1	HIBF	
COc1ccc2c(c1)[C@@](C)(COc1c([N+](=O)[O-])ccc(F)c1F)N(C(C)C)CC2	962094932	URGSEMLXBZHUDO-OAQYLSRUSA-N	406.429	4.442	5	1	HIBF	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc12	45339768	AGHLVWAMEPWVSC-UHFFFAOYSA-N	420.812	4.409	5	1	HIBF	
O=C(OCc1ccc([N+](=O)[O-])cc1)C1(c2ccc(Cl)c(Cl)c2)CCNCC1	64560605	QYBRIRDWKCNEOQ-UHFFFAOYSA-N	409.269	4.266	5	1	HIBF	
Cc1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2cc1[N+](=O)[O-]	586937248	LKRVDNQUYSJTDZ-QGZVFWFLSA-N	422.894	4.109	5	1	HIBF	
COCCNc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1[N+](=O)[O-]	587261452	BUJHXMJKMCWWAQ-UHFFFAOYSA-N	405.252	4.267	5	1	HIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1	587273348	HEDFQPCUZNCNDN-CYBMUJFWSA-N	421.413	4.050	5	1	HIBF	
O=[N+]([O-])c1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1O	962948442	BBQDVMMXBYLAKS-GOSISDBHSA-N	408.376	4.060	5	1	HIBF	
Cc1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c(C)n1	587119523	XIOCKKMZKRFUFZ-UHFFFAOYSA-N	416.363	4.414	5	1	HIBF	
CCOC(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c1	587267924	UNUHFBKISFLQQA-UHFFFAOYSA-N	419.441	4.176	5	1	HIBF	
COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587746780	LFBGNSPIHPGIDH-JEOXALJRSA-N	423.282	4.497	5	1	HIBF	
CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCC(C)C	82192284	OMGKCBPOZINTGC-HNNXBMFYSA-N	408.549	4.024	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1	586920570	UHODTHSSFFZMFH-UHFFFAOYSA-N	419.768	4.117	5	1	HIBF	
CS(=O)(=O)c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1Cl	586926387	OHNWHWWLYVUGRN-UHFFFAOYSA-N	419.768	4.214	5	1	HIBF	
CC(C)Oc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br	587268326	RHJFNDHCYMWMNT-UHFFFAOYSA-N	406.240	4.028	5	1	HIBF	
C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587332217	FPTUEMSYEMNLDQ-IFMALSPDSA-N	408.385	4.296	5	1	HIBF	
CC(C)COc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587277503	XHSWRMZBQFXPRV-NSHDSACASA-N	422.283	4.269	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587751486	MYHSXAPFPRLLJU-YPMLDQLKSA-N	407.239	4.057	5	1	HIBF	
O=C1OCC2=C1[C@H](c1ccc(F)c(F)c1)c1c(c3cccnc3c3ncccc13)N2	299837788	KUMJWYUELCNWFV-QGZVFWFLSA-N	401.372	4.430	5	1	HIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)cc2[nH]1	587267136	UQNCATJQOWQLNB-VOJFVSQTSA-N	413.434	4.211	5	1	HIBF	
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587575988	LVAWTTJMJCMEPG-UGKGYDQZSA-N	407.378	4.402	5	1	HIBF	
Nc1c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cnc2c(F)cccc12	587176917	VYBFNUVECOFVKK-UHFFFAOYSA-N	402.183	4.170	5	1	HIBF	
CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587199074	YSIOJEDBVAEPMB-UHFFFAOYSA-N	405.389	4.136	5	1	HIBF	
O=C1C[C@@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)Oc2c1ccc1c2CCCC1	587512202	LZAOXSQAINUIES-NRFANRHFSA-N	419.437	4.413	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587749293	DPLIMYIFTMKYDF-MLCYQJTMSA-N	405.223	4.180	5	1	HIBF	
CN(C)Cc1ccc(CSCCNc2nncc(-c3ccccc3)c2[N+](=O)[O-])o1	1772606297	YRTBGGCOWNKYBD-UHFFFAOYSA-N	413.503	4.052	5	1	HIBF	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82148895	AVVRVNFOWULVBS-IAGOWNOFSA-N	423.517	4.303	5	1	HIBF	
O=[N+]([O-])c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12	586983710	BMWVUNNWNJCCTE-QGZVFWFLSA-N	401.264	4.419	5	1	HIBF	
COc1cc(OCc2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1[N+](=O)[O-]	587262874	GDHOHCOZFYAXQI-UHFFFAOYSA-N	406.236	4.438	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587267856	SKYLZSCYQLXYHF-ZETCQYMHSA-N	418.173	4.367	5	1	HIBF	
CCOC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCC(=O)O)ccc12	96086628	PUGOKYOQJONOGJ-UHFFFAOYSA-N	418.401	4.205	5	1	HIBF	in-vitro
CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	586950614	KAOQCQXBNKNYDN-UHFFFAOYSA-N	417.494	4.476	5	1	HIBF	
O=C1C[C@@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2c(Br)cccc2O1	587003942	PPSZVBRWNXEGEH-MRVPVSSYSA-N	420.194	4.008	5	1	HIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587656676	KKYJOSOAWDSIBH-UHFFFAOYSA-N	422.347	4.330	5	1	HIBF	
O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O	587945674	PDHJAJQRXWXJCE-INIZCTEOSA-N	405.313	4.097	5	1	HIBF	
CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccccc3[N+](=O)[O-])ccc2O1	13795382	LKGNSHHWONVFFO-UHFFFAOYSA-N	402.406	4.048	5	1	HIBF	
Cc1nc2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2n1S(=O)(=O)c1ccccc1	49803426	IPYPOOKQCMVRAQ-UHFFFAOYSA-N	422.466	4.102	5	1	HIBF	
Cc1nc(Br)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587011208	MGOTXEPFEKFHIR-UHFFFAOYSA-N	418.070	4.428	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3ccc(C=O)cc3)cc2)c([N+](=O)[O-])cc1OC	653708495	QDIGUFGBKKMCOA-OAQYLSRUSA-N	407.422	4.368	5	1	HIBF	
COc1cc2c(CC[N+](=O)[O-])cc3c4cc5c(cc4ncc3c2cc1OC)OCO5	40422993	DIIVJYZOPKDLNA-UHFFFAOYSA-N	406.394	4.106	5	1	HIBF	
Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)O)[C@@H](C[N+](=O)[O-])[C@@H]4C)-c1ccccc1C2=O	587096553	CTXVOFQOWCRPTF-VUCTXSBTSA-N	416.433	4.323	5	1	HIBF	
COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-]	587576294	NYIYTBWSMNDWSI-UGKGYDQZSA-N	407.378	4.186	5	1	HIBF	
Cc1ccc([C@@]2(c3ccc(C)c([N+](=O)[O-])c3)NCCc3c(C(=O)O)cccc32)cc1	963118393	CMLSZWWZGSYJBC-DEOSSOPVSA-N	402.450	4.347	5	1	HIBF	
C[C@@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1	1857566482	ANZCFROLHQIXGK-HUUCEWRRSA-N	422.441	4.108	5	1	HIBF	
O=C(NCC1CCCCC1)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134714	JHAPBBVZMNCXEW-UHFFFAOYSA-N	423.517	4.352	5	1	HIBF	
O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3ccccc3Cl)c(F)cc2c1=O	103213561	XAFSLJJLIOTNFY-UHFFFAOYSA-N	417.780	4.479	5	1	HIBF	
CSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1ccc([N+](=O)[O-])cc1	103948365	QGSIOUVCQBSUAR-VVTMIQRTSA-N	416.459	4.245	5	1	HIBF	
O=C(c1ccc2oc3ccc(C(=O)N4CCCCC4)cc3c(=O)c2c1)N1CCCCC1	169315485	DXNRSIBUJVEJKL-UHFFFAOYSA-N	418.493	4.198	5	1	HIBF	
Cc1sc2c(c1C)CCN[C@@H]2c1cc(I)cc([N+](=O)[O-])c1	963029419	UQQSVAGZRACBLA-CQSZACIVSA-N	414.268	4.113	5	1	HIBF	
O=[N+]([O-])c1ccc(CN2CCN([C@@H](c3ccccc3)[C@@H](O)c3ccccc3)CC2)cc1	169326376	SBUDQVKTHCUTGI-DQEYMECFSA-N	417.509	4.187	5	1	HIBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)cc1	587272608	WKHQCHWQVGKJNZ-UHFFFAOYSA-N	412.203	4.435	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)[C@@H](C2)C3=O	587427865	WOCTVZYUAQLPHX-GAJHUEQPSA-N	420.396	4.016	5	1	HIBF	
COc1cc(O)cc(-c2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1	587933270	WZHUMRHCWKOKAM-UHFFFAOYSA-N	406.354	4.428	5	1	HIBF	
CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	61958603	WJHFKXMYJUAKKU-UHFFFAOYSA-N	403.438	4.048	5	3	HIBF	
COc1cc2c3c(c1)O[C@@H](c1c([N+](=O)[O-])ccc(Br)c1C)[C@@H](C2)C3=O	587411052	BJJVMQCMKVLWLQ-BBATYDOGSA-N	404.216	4.163	5	1	HIBF	
Cc1c(O)nc(N(C)Cc2ccc([N+](=O)[O-])cc2)nc1[C@@H](C)c1c(F)cccc1F	653735942	DNCWMRHCYMZWGC-LBPRGKRZSA-N	414.412	4.465	5	1	HIBF	
COC(=O)Oc1c(Br)cc(Br)c2nc3ccccc3nc12	1857618998	GBHOPFJCXAUHCR-UHFFFAOYSA-N	412.037	4.453	5	1	HIBF	
O=[N+]([O-])c1cc(NC2CCN(Cc3ccccc3C(F)(F)F)CC2)ccc1CO	1857655824	CTRCKLTZZGRYSC-UHFFFAOYSA-N	409.408	4.182	5	1	HIBF	
COc1cc2cc(CC[N+](=O)[O-])c3c4cc5c(cc4ncc3c2cc1OC)OCO5	40848219	NHFSUFGXESCTBQ-UHFFFAOYSA-N	406.394	4.106	5	1	HIBF	
CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587747495	ONRWEGORXSVXLD-NIVTXAMTSA-N	422.254	4.078	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc([N+](=O)[O-])c1O)CC2=O	587457561	KKDUNJZZIYFSQY-INIZCTEOSA-N	422.231	4.428	5	1	HIBF	
COc1cc2c3c(c1)O[C@]1(c4ccccc4Oc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O	587431525	GBKTZZWDSLJSHC-SBUREZEXSA-N	401.374	4.400	5	1	HIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587573808	DBVFEENIQSPZHA-XMSQKQJNSA-N	423.377	4.021	5	1	HIBF	
C[C@@H]1C(=O)N(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(-c2ccccc2)cc1	13828840	DWMWJTCBRLSDKX-YCRPNKLZSA-N	422.462	4.170	5	1	HIBF	
CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	1857609107	KCCAKTLROAKJBV-HXUWFJFHSA-N	424.501	4.448	5	1	HIBF	
Nc1ccccc1NC(=O)CCCCCCc1nc(-c2ccc([N+](=O)[O-])cc2)no1	138073519	LFIVTMAYYREDAU-UHFFFAOYSA-N	409.446	4.359	5	1	HIBF	
C[C@@]1(COc2ccc(-c3ccc(C(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1	653722901	RAAOIOIVUWZXCV-SFHVURJKSA-N	420.347	4.102	5	1	HIBF	
Cc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br	587116603	IWZJZSQPCFURBN-UHFFFAOYSA-N	418.173	4.114	5	1	HIBF	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1	586930832	HYXQNSIAGSUXEG-UHFFFAOYSA-N	422.466	4.272	5	1	HIBF	
CC(C)(Oc1ccc(C(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1)C(=O)O	1857646505	RPBBYNCCUZQDHT-UHFFFAOYSA-N	402.402	4.419	5	1	HIBF	
CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	144866322	AEVGNLMZEXKNKR-MRSBXDGLSA-N	421.405	4.040	5	1	HIBF	
Cc1ccc(CNc2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)o1	82134446	LQYRBTLHJFSPTK-UHFFFAOYSA-N	423.473	4.293	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2[N+](=O)[O-])N1	587744818	FUXZFDGVIMVKML-ZMZPIMSZSA-N	409.255	4.325	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)c([N+](=O)[O-])cc31)O2	587373279	SXEOLWOQOBTNOU-SFHVURJKSA-N	403.232	4.055	5	1	HIBF	
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cccc(Cl)c4)cc3c(=O)c2c1	34842325	FJSNRASJQBFPID-UHFFFAOYSA-N	410.882	4.440	5	1	HIBF	
CC1CCN(C(=O)c2cnc(NC3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149587	WGBSQYBDCUSFDD-UHFFFAOYSA-N	409.490	4.278	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12	587139628	MMSCEBJWSGWJRJ-UHFFFAOYSA-N	400.154	4.436	5	1	HIBF	
CCOc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575985	LVAWTTJMJCMEPG-KNQAVFIVSA-N	407.378	4.402	5	1	HIBF	
O=C(O)c1ccc(Cn2cc(-c3ccc(-c4cccs4)cc3)nn2)c([N+](=O)[O-])c1	84706604	RXCXMNWWCSHXIX-UHFFFAOYSA-N	406.423	4.328	5	1	HIBF	
O=C(c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1	82160155	JVTPDGLBYBISRX-UHFFFAOYSA-N	417.469	4.290	5	1	HIBF	
CC(=O)c1cccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1	15936821	JABYXYUHUCXUKA-UHFFFAOYSA-N	400.391	4.311	5	3	HIBF	
Cc1ccc(NC(=O)CSCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	586971105	UJGFJKPGSQLTSL-UHFFFAOYSA-N	404.879	4.347	5	1	HIBF	
O=C(/C=C/c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1	587166962	LEYZAHGHKRSKEU-BQYQJAHWSA-N	405.183	4.025	5	1	HIBF	
Cc1nc2cc(Nc3ccc([N+](=O)[O-])cc3)ccc2n1S(=O)(=O)c1ccccc1	49803332	JDBVNIRKSKSEBR-UHFFFAOYSA-N	408.439	4.234	5	1	HIBF	
COC(=O)c1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1	587269349	LTHACXBKYQFYFL-UHFFFAOYSA-N	400.822	4.178	5	1	HIBF	
O=C1CC=C(c2nc3c4cccnc4c4ncccc4c3[nH]2)NN1Cc1ccc(F)cc1	587163499	KEWFSGJUSKAWQF-UHFFFAOYSA-N	424.439	4.076	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)cnc(Cl)c2[nH]1	587264839	UFNAHHZXCSMYPD-SNVBAGLBSA-N	404.810	4.179	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587747701	RFSJJNXQGKJAKR-ZKANADHPSA-N	410.199	4.028	5	1	HIBF	
Nc1ccccc1Sc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]	1911578458	CVDYYKAUXNYXND-UHFFFAOYSA-N	409.423	4.279	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccc(Cl)cc1	299849282	DQQZRPVDWCWBJK-YYTDSSBASA-N	419.868	4.261	5	1	HIBF	
O=C1C[C@H](Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c2c(Br)cccc2O1	587003946	PPSZVBRWNXEGEH-QMMMGPOBSA-N	420.194	4.008	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(F)cnc(Cl)c2[nH]1	587262277	HCTRTGGLHCJVIU-MRVPVSSYSA-N	408.773	4.010	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccccc1Oc1nn(C)cc1[N+](=O)[O-])CC2=O	587470793	LYIQPILJUPMUPD-FQEVSTJZSA-N	423.425	4.485	5	1	HIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577553	SPTNHIIVQSUJPE-UGKGYDQZSA-N	406.394	4.069	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)N1	587752309	QVPMGRJKAHTLKO-DPZKZMLUSA-N	423.286	4.238	5	1	HIBF	
CN(C)CCn1[nH]c2c3cc(OC(=O)C(C)(C)C)ccc3nc3c([N+](=O)[O-])ccc1c32	27547546	WJLQDPVEPKACFJ-UHFFFAOYSA-N	423.473	4.092	5	1	HIBF	
COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(F)cc1)c1ccc(F)cc1F	66098364	SXBMZBAKFLKBJS-QGZVFWFLSA-N	407.348	4.175	5	1	HIBF	
Cc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cccc1[N+](=O)[O-]	587260747	CBFNIICSKVMIRT-UHFFFAOYSA-N	414.590	4.100	5	1	HIBF	
COc1cc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)ccc1[N+](=O)[O-]	587263203	OOLUGOOZDNROCV-UHFFFAOYSA-N	412.627	4.475	5	1	HIBF	
CCOC(=O)C1=C(SCC)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	29320638	XRZXHBOPXNPDAJ-ORMOWBNMSA-N	420.487	4.487	5	1	HIBF	
Cc1cc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2cc1[N+](=O)[O-]	587003847	OOIAHWCRQJLMFA-JTQLQIEISA-N	416.231	4.177	5	1	HIBF	
N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1F	587143178	ZNBSGYIXSPTUTG-LLVKDONJSA-N	413.634	4.269	5	1	HIBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(OC(F)(F)F)cc1[N+](=O)[O-]	587648733	AIDZLIVZNLBFBU-UHFFFAOYSA-N	414.361	4.354	5	1	HIBF	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587656317	JSFMNBPWKJZBML-UHFFFAOYSA-N	419.347	4.115	5	1	HIBF	
O=C1c2ccc(F)cc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1	143203379	YOFHXZDPFMXUSQ-NRFANRHFSA-N	412.804	4.237	5	1	HIBF	
CC(C)c1nn(C)c2c1[C@@]1(NCC2)c2cc([N+](=O)[O-])ccc2-c2noc(C(C)(C)C)c21	962922263	WFNHYTPNMBYHRF-QHCPKHFHSA-N	421.501	4.155	5	1	HIBF	
CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1cccc([N+](=O)[O-])c1)CCCC3	28968860	YCHHFZRJBHOKQX-UHFFFAOYSA-N	406.442	4.151	5	1	HIBF	
COc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587746787	LFBGNSPIHPGIDH-NSPYISDASA-N	423.282	4.497	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587418237	OBFMYAAQCASWQY-KBXCAEBGSA-N	404.216	4.029	5	1	HIBF	
CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775794	GQUBIIQHUIBVAT-BXUZGUMPSA-N	423.897	4.338	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82135746	JNYSRKXKWZPCEV-XHSDSOJGSA-N	411.506	4.062	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(CCOc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(F)cc1	587344168	WCRHRKLUOGOXQG-GGAORHGYSA-N	421.380	4.476	5	1	HIBF	
CC(C)(C)C(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	653840670	CZBFJYFTCWQNFQ-IBGZPJMESA-N	410.474	4.058	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(F)c(F)c(F)c2[nH]1	587263046	JSIQCAREXVUXLL-MRVPVSSYSA-N	409.320	4.240	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587412509	IMOVNKZQCGGRHX-KPZWWZAWSA-N	404.216	4.029	5	1	HIBF	
Cc1nn(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)c1Br	586978921	LNOMXEHLZZRMJF-UHFFFAOYSA-N	407.275	4.283	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12	587091352	JBBCLMMAFTZPJP-UHFFFAOYSA-N	417.141	4.237	5	1	HIBF	
C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587332220	FPTUEMSYEMNLDQ-IRLDBZIGSA-N	408.385	4.296	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(Br)c1O)CC2=O	587457285	XKRPNOXFUBSMMH-INIZCTEOSA-N	422.231	4.428	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2n1ccc([N+](=O)[O-])n1	587575625	GDDMDTZNSMCKRC-JLMWRMLUSA-N	421.409	4.013	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587750551	IQIHVSLMVPDETQ-YPMLDQLKSA-N	407.239	4.057	5	1	HIBF	
CCOc1cc(-c2cccc(F)c2)nn1-c1ncc([N+](=O)[O-])cc1Br	587869264	FURAWFNXTPVPNM-UHFFFAOYSA-N	407.199	4.143	5	1	HIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1NCc1ccccc1Br	587942119	ZQJCWXXCHWKHAU-GFCCVEGCSA-N	412.284	4.129	5	1	HIBF	
COc1ccc2cc(CN3CCCC[C@@H]3C(=O)O)c3cc(OC)c(OC)cc3c2c1	1857539975	UPCHFLHZPAKITO-OAQYLSRUSA-N	409.482	4.458	5	1	HIBF	
CSc1nc2c(c(=O)[nH]1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@H](c1ccccc1)N2	5542975	FBTSKLPIOXAXMS-MRXNPFEDSA-N	407.455	4.078	5	1	HIBF	
C[C@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587329835	ARFGISLIWZBPMC-IFMALSPDSA-N	409.369	4.419	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587748127	UVSGCASXRCMZJR-VPTHRUTESA-N	410.199	4.028	5	1	HIBF	
O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc3cc4ccccc4cc3nc2O)N1	963229582	PKROZIMNTXDNMB-DNQXCXABSA-N	421.456	4.330	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587720090	MNLUGZJXOLUVJB-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCC	4213803	LZTZEZPAANKXGQ-WOJBJXKFSA-N	419.478	4.254	5	1	HIBF	
COc1cccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587054955	NIUVWKNCILENNP-MRXNPFEDSA-N	402.838	4.260	5	1	HIBF	
C[C@]1(c2cc([N+](=O)[O-])ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587339743	URKVEAWJCJGJTK-RBBKRZOGSA-N	408.385	4.296	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCN(CC[C@H](O)c3ccc(F)c4ccccc34)CC2)cc1	1857634661	RRTLCHBGYQMCKP-QHCPKHFHSA-N	409.461	4.133	5	1	HIBF	
Cc1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979909	KTMWRGBCYIVNAT-UHFFFAOYSA-N	422.151	4.025	5	1	HIBF	
Cc1cc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587122874	ABLJVFXWFFHGQO-UHFFFAOYSA-N	414.365	4.016	5	1	HIBF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c3cccnc3c3ncccc3c2[nH]1	587194609	WGCVBJGGAGMGSS-INIZCTEOSA-N	420.517	4.177	5	1	HIBF	
Cc1nc(Br)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587011216	MKRRLWGDNWQGQT-UHFFFAOYSA-N	418.070	4.428	5	1	HIBF	
O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)c(F)cc2c1=O	103210306	PUDZPKSIBLJQKF-UHFFFAOYSA-N	417.780	4.479	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(Br)c2[nH]1	587267469	ZSJWRHWGICUMQW-QMMMGPOBSA-N	406.196	4.315	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc([N+](=O)[O-])c1Cl	587546430	QQTNAWRRZPISGC-OXJNMPFZSA-N	413.769	4.362	5	1	HIBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OC	587573471	BZMTXSMHMLBGPO-RXVVDRJESA-N	423.377	4.021	5	1	HIBF	
O=[N+]([O-])c1ccc2oc(SCc3nc4ccccn4c3Br)nc2c1	2483675	DFGYLXXCYFQHSY-UHFFFAOYSA-N	405.233	4.439	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2	45287190	HVMDPVGWIOIOLM-KRWDZBQOSA-N	419.359	4.455	5	1	HIBF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc([N+](=O)[O-])cc2)(C2CCNCC2)N1	962947771	OMKDJUQHINZKFL-KOSHJBKYSA-N	404.514	4.244	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	587239815	ONIQKZIMNTWNGK-PKQAIAMASA-N	416.478	4.026	5	1	HIBF	
Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1	587244763	LOGGCLLHOSJDCL-UHFFFAOYSA-N	411.805	4.264	5	1	HIBF	
NC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2	45318622	WEUREFIAMIPTHP-CQSZACIVSA-N	421.478	4.280	5	1	HIBF	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135288	INTPJXCCVGRPNU-DLBZAZTESA-N	423.517	4.303	5	1	HIBF	
CCN(C=O)Cc1ccc(NCCN(CC)CC)c2c(=O)c3ccccc3sc12	101470537	ZPGUSCWPFZBDIA-UHFFFAOYSA-N	411.571	4.147	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccccc2[N+](=O)[O-])N1	587746501	KFOXBTPCBNAEOT-ADLMAVQZSA-N	409.255	4.325	5	1	HIBF	
COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1	587784225	GAPQJOLAKZNBSS-QWHCGFSZSA-N	416.231	4.177	5	1	HIBF	
O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1	587273523	KYPLETSTEFAMKE-UHFFFAOYSA-N	407.274	4.338	5	1	HIBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC	775975	XMTPAKWQOKPODV-GFCCVEGCSA-N	419.478	4.339	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)cc1)C2	45260671	VCABYSDHPDTZPV-KRWDZBQOSA-N	417.368	4.038	5	1	HIBF	
CC(C)(C)OC(=O)N1O[C@@H]2CC[C@H]1C21CCN(c2ccc([N+](=O)[O-])cc2F)CC1	84669105	AZWODWZPINLTHK-DLBZAZTESA-N	407.442	4.034	5	1	HIBF	
COc1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260863	JQRGYGUNZJCHAG-UHFFFAOYSA-N	403.394	4.386	5	1	HIBF	
COCCOc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1[N+](=O)[O-]	587264263	FJRFJTNNMXZYCZ-UHFFFAOYSA-N	410.199	4.065	5	1	HIBF	
COc1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21	13584427	XEFUKNBCEIGCIB-UHFFFAOYSA-N	407.455	4.084	5	1	HIBF	
Cc1cc(Br)ccc1OCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586981610	RGTSDWWUJZMXEV-UHFFFAOYSA-N	407.180	4.029	5	1	HIBF	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(C2CC2)n1	587231693	FAENRYQNUKCQSL-UHFFFAOYSA-N	409.446	4.435	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587745450	HGJUTRONPQSFLA-VPTHRUTESA-N	410.199	4.028	5	1	HIBF	
COc1ccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)cc1	1857599824	RYKLDEMFLSOUSQ-UHFFFAOYSA-N	406.354	4.248	5	1	HIBF	
Cc1ccc(C(=O)OC[C@](C)(O)c2cc3cc([N+](=O)[O-])c(C(F)(F)F)cc3[nH]2)cc1	34801522	RUDACOGRWLRASZ-IBGZPJMESA-N	422.359	4.468	5	1	HIBF	
O=C(Nc1nc(-c2cccc(NC(=O)C3CCC3)c2)cs1)c1ccc([N+](=O)[O-])o1	653866588	CVICRSAPVNXIKQ-UHFFFAOYSA-N	412.427	4.302	5	1	HIBF	
C/C(=C(/c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1772597890	FFXUYTKTXDMJFP-HZHRSRAPSA-N	404.422	4.144	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21	587746314	JMVGTGOBUSYJSY-ZUZCIYMTSA-N	409.255	4.323	5	1	HIBF	
C[C@@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587574663	GFCUHDLPIWEVFS-RXVVDRJESA-N	422.349	4.086	5	1	HIBF	
CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587747496	ONRWEGORXSVXLD-YYSFKGJASA-N	422.254	4.078	5	1	HIBF	
C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-]	587104817	KALJRNITRPUSJV-KNXALSJPSA-N	402.406	4.015	5	1	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)c([N+](=O)[O-])cc1OC	653714303	ZPWQFTPINGOYKH-FQEVSTJZSA-N	424.409	4.463	5	1	HIBF	
O=C(O)c1cccc2c1CCN[C@@]2(c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	963128507	AVVIKRFYIAMBFN-QFIPXVFZSA-N	408.841	4.384	5	1	HIBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4cccnc4)cn3c(=O)c2c1	29561904	LKFAYNBLUNPUHN-UHFFFAOYSA-N	414.509	4.119	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])cc1)CC2=O	587470867	MRRWWICCCGLXNO-HXUWFJFHSA-N	423.425	4.485	5	1	HIBF	
CCOC(=O)c1c2c3ccc(SCCN4CCSC4)c4cccc(c-2nc1=O)c43	71294203	OYVXFJKFCGTIHJ-UHFFFAOYSA-N	424.547	4.004	5	1	HIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cnc(Cc2ccc(F)cc2)nc1	587946895	ZWNNGWBIYGLVMG-AWEZNQCLSA-N	414.437	4.132	5	1	HIBF	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2c(O)c1OC)C[C@@H]1CCCN1C3	14824750	IUTOEIPYJNFBLC-ZDUSSCGKSA-N	409.482	4.254	5	1	HIBF	biogenic
COc1ccc2cc3c4c(cc(OC)c(OC)c4c2c1)C(=O)N3CCN1CCCCC1	40880584	JOKROSSHMSZZOM-UHFFFAOYSA-N	420.509	4.465	5	1	HIBF	
Cc1ccc(NC(=O)CSc2nncnc2-c2ccccc2Cl)c([N+](=O)[O-])c1	95563693	JNIVZUVALOZOPT-UHFFFAOYSA-N	415.862	4.139	5	1	HIBF	
COc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCCC3)c12	117790631	NMCBQDCTQPGXHQ-UHFFFAOYSA-N	401.466	4.133	5	1	HIBF	
O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O	587945676	PDHJAJQRXWXJCE-MRXNPFEDSA-N	405.313	4.097	5	1	HIBF	
O=[N+]([O-])c1cccc(C2=NO[C@H](COCc3nnc(-c4ccc(Cl)cc4)o3)C2)c1	45298553	LYSGMZFVAOSCCZ-INIZCTEOSA-N	414.805	4.008	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cncc(Br)c2[nH]1	587108954	DRTKVZDYJDEFET-UHFFFAOYSA-N	401.142	4.238	5	1	HIBF	
COc1ccc(Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1	13584433	RSBSTICXSQJQKE-UHFFFAOYSA-N	407.455	4.084	5	1	HIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1	261139836	MVTOLEWYNKYMPC-UHFFFAOYSA-N	408.395	4.469	5	1	HIBF	
C[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277532	XRPFXJDSHCSKQG-LURJTMIESA-N	404.146	4.058	5	1	HIBF	
COc1ccccc1-c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O	587936453	JACTUQKILVNGGY-UHFFFAOYSA-N	405.204	4.235	5	1	HIBF	
COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCCC1CCCC1	26253663	HILKWYAMELDRBU-UHFFFAOYSA-N	408.559	4.306	5	1	HIBF	
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNc1ccc([N+](=O)[O-])cc1	40585104	CSJBPSQOOWBUDQ-OAQYLSRUSA-N	420.465	4.262	5	1	HIBF	
O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1	587271195	ADCDUMAGOLEVBY-UHFFFAOYSA-N	412.203	4.435	5	1	HIBF	
COc1cc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1OC	587511471	QCWIUBXRLNVOPD-HSZRJFAPSA-N	411.454	4.457	5	1	HIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccc([N+](=O)[O-])cc1	587869300	GKBFZXAGTRYJFM-UHFFFAOYSA-N	423.376	4.126	5	1	HIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O	587944260	CXWCGHNIMQBUFJ-BZNIZROVSA-N	413.377	4.245	5	1	HIBF	
O=[N+]([O-])c1cc(Cl)c(Nc2ccc3nc(O)[nH]c3c2)cc1NC1CCOCC1	1772646344	ZKYCDDDSQVOERN-UHFFFAOYSA-N	403.826	4.165	5	1	HIBF	
CCCCCC[C@@H](O)[C@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	40878285	SOKLNJHTUUKGKZ-WOJBJXKFSA-N	424.497	4.158	5	1	HIBF	biogenic
CN(C)CCCCNc1ccnc2c1ccc1c(NCCCCN(C)C)ccnc12	45353295	WGWAHKQNGMRSEA-UHFFFAOYSA-N	408.594	4.290	5	1	HIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587269651	XTBQQANMYYFDPB-UHFFFAOYSA-N	416.157	4.260	5	1	HIBF	
CC(C)CCOc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275326	BXDHQTCQBRGTQT-NSHDSACASA-N	422.283	4.464	5	1	HIBF	
C[C@]1(c2cccc(O)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587338880	SROIUGBDEXOGPE-DENIHFKCSA-N	409.369	4.419	5	1	HIBF	
CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775796	GQUBIIQHUIBVAT-RISCZKNCSA-N	423.897	4.338	5	1	HIBF	
CCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149338	YXFZGNHNQDWFMJ-IYBDPMFKSA-N	411.506	4.382	5	1	HIBF	
CCc1cnc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)s1	82163611	BGHQWGJKFCOWNO-HNNXBMFYSA-N	411.487	4.329	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1	586999750	BIMGGDKVTKJCNQ-RJRFIUFISA-N	402.204	4.175	5	1	HIBF	
O=C(O)CC[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccsc2CCN1Cc1ccco1	962704119	IONROBXITQUXSB-OAQYLSRUSA-N	412.467	4.416	5	1	HIBF	
O=[N+]([O-])c1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1	96301060	CQJJVTWUSAFIND-UHFFFAOYSA-N	400.529	4.119	5	1	HIBF	in-vitro
CCCCCC[C@H](O)[C@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	40878281	SOKLNJHTUUKGKZ-VQTJNVASSA-N	424.497	4.158	5	1	HIBF	biogenic
Cc1cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)nn1Cc1ccccc1F	587944363	DDYLTABTTZDNSX-UHFFFAOYSA-N	408.389	4.156	5	1	HIBF	
O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1F	587018813	PQIQUHOCMLMDBZ-UHFFFAOYSA-N	412.402	4.096	5	1	HIBF	
CCCOc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br	587267420	KEBFNTHQZVXKLJ-SNVBAGLBSA-N	408.256	4.137	5	1	HIBF	
Nc1nc(-c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cs1	587022079	UEWGBVXCJGBWHJ-UHFFFAOYSA-N	416.260	4.606	5	1	HIBF	
CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4081805	QBIHYZHFKVQVDR-DOTOQJQBSA-N	408.241	4.082	5	1	HIBF	
Cc1cccc2c1[C@@](O)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O	142623107	ZTZSTKLDQMQALW-QFIPXVFZSA-N	408.841	4.406	5	1	HIBF	
CC1(C)Oc2nc([N+](=O)[O-])cn2C[C@@H]1OCc1ccc(OCc2ccccc2)cc1	1772599703	AALSHKOJWBNSTL-IBGZPJMESA-N	409.442	4.127	5	1	HIBF	
Cc1ccc2c(ccc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c32)n1	586924577	CETJUJXRIJIMPX-UHFFFAOYSA-N	416.846	4.052	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O	587472532	JHTPTWJGMUMRMB-GBJNBNQZSA-N	410.470	4.497	5	1	HIBF	
CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1	61958601	IJIHSEUYSMULLQ-UHFFFAOYSA-N	403.438	4.048	5	3	HIBF	
O=C(Nc1nc2cc(F)ccc2n1[C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1	653755717	WVZVDUGLGFNHPB-SAZUREKKSA-N	412.421	4.060	5	1	HIBF	
C[C@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587342900	QIRRJECCIURWEM-OFNKIYASSA-N	421.380	4.440	5	1	HIBF	
Cc1cc(Cl)cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12	586925366	HIHYAXYAZCBROX-UHFFFAOYSA-N	400.243	4.157	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	587240822	XJIJASASHYWWIW-QSZISKGPSA-N	416.478	4.026	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2cccc3c2n1[C@@H](CO)CC3	14945613	ZXRLLGKSBLTSNU-OAHLLOKOSA-N	406.441	4.464	5	1	HIBF	
C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149665	GJQCDOZGUGQOCD-CALCHBBNSA-N	423.517	4.160	5	1	HIBF	
Cc1onc(-c2nc3cc(F)c(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079271	IPHYCRFZIFNGBF-UHFFFAOYSA-N	411.180	4.125	5	1	HIBF	
Cc1ccnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12	587117771	GGBKSTZZWDUZKW-UHFFFAOYSA-N	402.336	4.105	5	1	HIBF	
Cc1cc(N(C)Cc2nc3cc(Br)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F	587136504	GBTGJCBULRMUDW-UHFFFAOYSA-N	411.206	4.457	5	1	HIBF	
C[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1	587275657	FLIPFMNAFDYOMT-LURJTMIESA-N	404.146	4.058	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OCc1ccc([N+](=O)[O-])cc1)CC2=O	587472116	YLPIFTDQSXIXRH-JOCHJYFZSA-N	413.426	4.110	5	1	HIBF	
O=C1C[C@H](c2cc([N+](=O)[O-])ccc2N2CCOCC2)Oc2c1ccc1c2CCCC1	587513419	SEBNDHDLYSLOSX-JOCHJYFZSA-N	408.454	4.017	5	1	HIBF	
COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577236	RBMYGOAUJYNUDM-AUSIDOKSSA-N	421.405	4.494	5	1	HIBF	
CC[C@H](C)COc1cc([N+](=O)[O-])c([C@H]2c3ccsc3CCN2C(N)=O)cc1OC	962701543	BLZSODRERPZMLY-HXPMCKFVSA-N	419.503	4.116	5	1	HIBF	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O	138766494	JQWQHDDYUYXIIO-SFHVURJKSA-N	410.209	4.062	5	1	HIBF	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587576736	PLKPPOHHGSKFCZ-SIKLNZKXSA-N	407.378	4.402	5	1	HIBF	
C/C(=C(\c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1772573556	VJRVGNMDZPKEME-HAHDFKILSA-N	402.454	4.053	5	1	HIBF	
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1	43009798	APEFGTAGDTUVAK-UHFFFAOYSA-O	400.502	4.405	5	1	HIBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	169723501	XEIJPGDIMONFNA-AZUAARDMSA-N	416.474	4.340	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714943	GPGJHNQAMWOWBF-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1	587784226	GAPQJOLAKZNBSS-STQMWFEESA-N	416.231	4.177	5	1	HIBF	
CCCCOc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-]	963634087	JAORKPVDEPLXIA-PEBXRYMYSA-N	400.475	4.415	5	1	HIBF	
CCOC(=O)CCCn1c2cc(OC)ccc2c2cc[n+]3nc(CC)c(CC)cc3c21	26579355	GMWRXQYCEUTIEV-UHFFFAOYSA-N	420.533	4.405	5	1	HIBF	
COc1cccc(-c2cc(O)cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)c1	587933886	YMZZWQFDDJZODD-UHFFFAOYSA-N	406.354	4.428	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ncccn3)c([N+](=O)[O-])c1)O2	587410457	MXMNCDFPVAPADZ-QGZVFWFLSA-N	408.439	4.133	5	1	HIBF	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82148899	AVVRVNFOWULVBS-SJORKVTESA-N	423.517	4.303	5	1	HIBF	
O=[N+]([O-])c1ccc(COC[C@H](Cn2cncn2)c2ccc(Cl)cc2Cl)cc1	103288438	OTOZWSQNSIFZJW-AWEZNQCLSA-N	407.257	4.494	5	1	HIBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)cc2[nH]1	587267137	UQNCATJQOWQLNB-ZMZPIMSZSA-N	413.434	4.211	5	1	HIBF	
Cc1cc2c(cc1O)[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)s1)N[C@H](C(=O)O)C2	963529887	ZNXDXHFEDWLXIG-JXFKEZNVSA-N	410.451	4.026	5	1	HIBF	
Cc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1[N+](=O)[O-]	587000185	GVWLLDZXLVCRLT-NSCUHMNNSA-N	416.231	4.484	5	1	HIBF	
O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	13646501	FXDVSEXSZHQYNI-FQEVSTJZSA-N	423.856	4.228	5	1	HIBF	
CS(=O)(=O)c1ccc(-c2cc(/C=C/CC[N+](=O)[O-])nn2C2CCCCC2)cc1	26288208	XTCJVCGAYYRVBO-FNORWQNLSA-N	403.504	4.139	5	1	HIBF	
COc1ccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1	221035496	VKVVNQUBGFKVPE-UHFFFAOYSA-N	404.429	4.322	5	1	HIBF	
CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586882333	OASPCCBHRXZDMY-UHFFFAOYSA-N	416.231	4.162	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1	587261771	HTGGUYKEKQKFLX-UHFFFAOYSA-N	416.306	4.450	5	1	HIBF	
O=[N+]([O-])c1ccc(CN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)o1	13553177	QPXOQLOCVZOIRU-UHFFFAOYSA-N	404.772	4.344	5	1	HIBF	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1	103995409	SXCFPTBHIGTZMZ-OXQOHEQNSA-N	412.442	4.125	5	1	HIBF	
CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587573409	BPOGROZIBBGCRQ-DENIHFKCSA-N	406.394	4.069	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(-c3cc(Br)cc(Br)c3O)[nH]c2c1	82155734	LWDPDSMGZOLJLL-UHFFFAOYSA-N	413.025	4.369	5	1	HIBF	
Cc1cccc2c1[C@](O)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O	142622906	ZTZSTKLDQMQALW-JOCHJYFZSA-N	408.841	4.406	5	1	HIBF	
COc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260983	OCGGYAORMHVHFQ-UHFFFAOYSA-N	418.278	4.204	5	1	HIBF	
Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587579098	YJWRZBUWKMNOPX-FOIQADDNSA-N	423.425	4.034	5	1	HIBF	
Cc1nn(C)c(NC(=O)Nc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])c1[N+]#N	95574224	WROUVZNGKWGNGG-UHFFFAOYSA-O	408.398	4.344	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1[N+](=O)[O-]	586914443	KNWIJFPFTJHTGN-UHFFFAOYSA-N	420.337	4.148	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749226	CUTQDVGIXICWSL-DYBLOJMWSA-N	423.238	4.023	5	1	HIBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](NC(C)=O)[C@@H]1CCCN1C3	73310971	ZOOIUGARZLISTI-SQJMNOBHSA-N	420.509	4.174	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@H]21	587027513	RNOPQVKCRFSJLP-BMFZPTHFSA-N	411.487	4.003	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@@H]2CCCC[C@@H]21	587027922	ULBXQOWSDSLZBF-JQFCIGGWSA-N	411.487	4.003	5	1	HIBF	
CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br	587274996	PKJFYMNSCMHDEU-UHFFFAOYSA-N	408.256	4.203	5	1	HIBF	
CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587576731	PLKPPOHHGSKFCZ-DENIHFKCSA-N	407.378	4.402	5	1	HIBF	
CC(=O)c1ccccc1Oc1cc(NN2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	15936812	HLJXNWIEUYZYBZ-UHFFFAOYSA-N	400.391	4.311	5	3	HIBF	
CC1=NN=C(N)N/C1=C\[C@H](Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	103009536	LMKDVVNSHRBBNH-RNIVLKNTSA-N	401.879	4.259	5	1	HIBF	
Cc1cc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2cc1[N+](=O)[O-]	587267047	DQUNNIRBSZLSAA-UHFFFAOYSA-N	406.402	4.216	5	1	HIBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H](C)N1C(=O)Nc1ccccc1[N+](=O)[O-]	1857612739	HFEWVTJGXTWOLR-GJZGRUSLSA-N	422.441	4.108	5	1	HIBF	
O=[N+]([O-])c1cc(F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21	40380659	ZGZFQADMELKOBH-UHFFFAOYSA-N	408.418	4.132	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc([N+](=O)[O-])ccc1N)(c1ccccc1F)O2	587386160	SRIUACWMCKPPNR-JOCHJYFZSA-N	407.401	4.116	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587430910	CITKQUNQTLLDTB-RDPSFJRHSA-N	401.418	4.489	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714946	GPGJHNQAMWOWBF-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccccc1[N+](=O)[O-]	587863155	SJDXAXGJMBOCSN-UHFFFAOYSA-N	405.332	4.369	5	1	HIBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Br)c(F)c(F)c2[nH]1	587158786	IYTWBEAIPPOIAG-UHFFFAOYSA-N	402.126	4.230	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587747382	NFAQJBBHTBDIHE-PWJLMRLQSA-N	410.199	4.028	5	1	HIBF	
COc1ccccc1[C@]1(Cc2ccc([N+](=O)[O-])cc2)NCCc2c1c(C(C)C)nn2C	962909473	MTZJFVUBTGULRP-DEOSSOPVSA-N	420.513	4.092	5	1	HIBF	
Nc1ccc2c(c1)oc1c(NC3CCCCC3)c(F)cc3c(=O)c(C(=O)O)cn2c13	1772601705	SWZXLIPADATRSM-UHFFFAOYSA-N	409.417	4.363	5	1	HIBF	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135289	INTPJXCCVGRPNU-IRXDYDNUSA-N	423.517	4.303	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1	587261636	DTWDPSDOLDIDBJ-UHFFFAOYSA-N	412.190	4.442	5	1	HIBF	
COc1ccc([C@H]2NCCc3c(C)ccnc32)cc1COc1cc(F)ccc1[N+](=O)[O-]	963078591	YHZQXOKNUYTPFH-JOCHJYFZSA-N	423.444	4.260	5	1	HIBF	
CN(C)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](C)C)cc-3sc2c1	34630916	DUHFLIOVBOXHTL-UHFFFAOYSA-O	403.527	4.469	5	1	HIBF	
NC(=O)c1nc(Nc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)c2ccccc2n1	299827910	QFVXQDSIVLLPLK-UHFFFAOYSA-N	401.382	4.173	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1	587268790	ACCHSUREAJOHNQ-UHFFFAOYSA-N	420.803	4.423	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCn3ccc([N+](=O)[O-])n3)c1)CC2=O	587471451	QKMQWPYOMOYPGR-HXUWFJFHSA-N	423.425	4.192	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587721502	WIBUSLGMGZNWNK-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1	82135888	PVTQDOFXHRWCBC-OAHLLOKOSA-N	405.458	4.192	5	1	HIBF	
CN(C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1	82148865	DKUBGUKNZPODAZ-UHFFFAOYSA-N	423.517	4.447	5	1	HIBF	
COc1ccc(-c2c[nH]nc2-[c-]2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2=O)cc1	169689317	BPLAOTLLRMBNKC-UHFFFAOYSA-N	416.413	4.319	5	1	HIBF	
COc1ccc(-c2nc3sc(C)nn3c2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1	299860257	IXWQFIMPUCDQSP-UHFFFAOYSA-N	406.427	4.226	5	1	HIBF	
COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc([N+](=O)[O-])c1O	586987276	MMBPQKDRCUKQPP-UHFFFAOYSA-N	414.373	4.441	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587747384	NFAQJBBHTBDIHE-ZKANADHPSA-N	410.199	4.028	5	1	HIBF	
COc1ccc2c(c1OC)[C@@H]([C@@H](C)[N+](=O)[O-])N(C)c1c-2ccc2cc3c(cc12)OCO3	1857758626	VGMMXPJBSCKJIA-XUSGNXJCSA-N	422.437	4.409	5	1	HIBF	
O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@H](CNCc2ccccc2[N+](=O)[O-])C1	95587798	GNYFAIKKPJTAMD-ROUUACIJSA-N	412.490	4.189	5	1	HIBF	
CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O	587631468	NBBXHMHCJCNRHW-UHFFFAOYSA-N	420.780	4.290	5	1	HIBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135665	GKBJTMBQURYDIU-IRXDYDNUSA-N	423.517	4.160	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2n1ccc([N+](=O)[O-])n1	587575635	GDDMDTZNSMCKRC-ZWCUEREDSA-N	421.409	4.013	5	1	HIBF	
O=C(O)c1cccc2c1CCN[C@]2(c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	963128505	AVVIKRFYIAMBFN-JOCHJYFZSA-N	408.841	4.384	5	1	HIBF	
C[C@@](O)(CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	28014653	DERVQJUXODKBDF-MRXNPFEDSA-N	400.378	4.095	5	1	HIBF	
CC(C)Oc1cc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br	587270862	SHXVSGZGSCDFCX-AWEZNQCLSA-N	419.279	4.263	5	1	HIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cccc(C2=NC(C)(C)CO2)c1	587937109	HWIKERXIHHSOML-CQSZACIVSA-N	401.463	4.168	5	1	HIBF	
C[C@@H](COc1ccccc1)NC[C@@H](O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1	45191011	GDLGJIDTGIHIIX-FDDCHVKYSA-N	422.481	4.264	5	1	HIBF	
COc1cc([C@@H]2Oc3cc(OC)c4c(ccc5cccc(O)c54)c3C[C@H]2O)ccc1O	138806186	DCCJOXUWPQSOJV-CLOONOSVSA-N	418.445	4.459	5	1	HIBF	
CCOC(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1	586980189	QGKFCVBNPLLPCL-UHFFFAOYSA-N	404.220	4.386	5	1	HIBF	
COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587575387	JQNXCQDNLUTEDX-PGRDOPGGSA-N	407.378	4.186	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587743989	CIGMKXNOOQLMKX-XTZNXHDOSA-N	407.239	4.129	5	1	HIBF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc(Cl)cc([N+](=O)[O-])c1OC	963665664	HHIIHFHTFSFTGD-GIPWTMENSA-N	406.866	4.072	5	1	HIBF	
CCOC(=O)N1C(CC)=NC(C)=C(C(=O)OC(C)C)[C@H]1c1ccccc1[N+](=O)[O-]	26484044	KHWDZOOVTHUGMH-GOSISDBHSA-N	403.435	4.142	5	1	HIBF	
COC(=O)[C@@]12CCCN1Cc1c(c3cc(OC)c(OC)cc3c3cc(OC)ccc13)C2	95604145	GFPPJUGFQCBBKI-VWLOTQADSA-N	421.493	4.083	5	1	HIBF	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc([N+](=O)[O-])cc3C2)CC1	253642427	XOSFZMMMGNXEFV-RUCARUNLSA-N	403.523	4.427	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587748509	VHFWAPGCGRJLSJ-ZKANADHPSA-N	410.199	4.028	5	1	HIBF	
c1ccc2c(NCc3cn(CCN4CCCC4)nn3)c3oc4ccccc4c3nc2c1	1772641132	WZHMGWVMKLYIQX-UHFFFAOYSA-N	412.497	4.434	5	1	HIBF	
Cc1ccc(CNC(=O)[C@H]2CCCN2c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	82195666	QBCDTFYWYQKJJQ-HXUWFJFHSA-N	422.510	4.312	5	1	HIBF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc(Cl)cc([N+](=O)[O-])c1OC	963665663	HHIIHFHTFSFTGD-BIBXISHDSA-N	406.866	4.072	5	1	HIBF	
Cc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1	587118475	NMNAMERHKKMUGA-UHFFFAOYSA-N	402.336	4.105	5	1	HIBF	
C[C@@](O)(CSc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	1857615100	WIAUAPVGOBKTQQ-MRXNPFEDSA-N	418.368	4.235	5	1	HIBF	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1	587041542	XGTJRPONRZBAJW-GOSISDBHSA-N	412.471	4.066	5	1	HIBF	
O=[N+]([O-])c1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1	587935808	FQGIVXJLLKUKLL-UHFFFAOYSA-N	420.175	4.134	5	1	HIBF	
CCN(CC)c1nc(C)c([N+](=O)[O-])c(NC(=S)Nc2ccc(C)c(Cl)c2)n1	103168771	WNLNTJKWTHPOMW-UHFFFAOYSA-N	408.915	4.310	5	1	HIBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1	586948125	DYLWHPGUSVZDTL-UHFFFAOYSA-N	408.439	4.247	5	1	HIBF	
CCN1C(=O)C[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl	587061442	LZSAIDFCCWYFQG-ZMZPIMSZSA-N	402.813	4.341	5	1	HIBF	
CCCCCOc1cc([S@](C)(=N)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12	60168503	YVZPQSCOWATEBW-MUUNZHRXSA-N	403.456	4.249	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1	587053533	GHCXPMIFRYWWQI-MRXNPFEDSA-N	417.809	4.160	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ncccn4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587449186	BLIUEJLGYYYUDB-VBKZILBWSA-N	421.434	4.033	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(Cl)cc1	299849280	DQQZRPVDWCWBJK-CUDBPUKSSA-N	419.868	4.261	5	1	HIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O	587944262	CXWCGHNIMQBUFJ-ZBEGNZNMSA-N	413.377	4.245	5	1	HIBF	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1	82147844	TXOVLQGYGYJIGE-AUUYWEPGSA-N	409.490	4.182	5	1	HIBF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	586950304	UHCWKBDQBLSBPZ-UHFFFAOYSA-N	408.439	4.247	5	1	HIBF	
Cc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1[N+](=O)[O-]	587000184	GVWLLDZXLVCRLT-IHWYPQMZSA-N	416.231	4.484	5	1	HIBF	
O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1F	587139932	TYGFOHANPNZQSB-UHFFFAOYSA-N	423.731	4.224	5	1	HIBF	
COc1ccc2c(c1OC)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(F)F)N(C)[C@@H](C)C2	962633276	UXJBEDPTRKCLDS-YEJXKQKISA-N	406.429	4.192	5	1	HIBF	
COc1cc(F)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-]	962714751	SVEKREUCMFPOLM-MPBGBICISA-N	406.454	4.335	5	1	HIBF	
COc1cc(Nc2ncc3ccn(-c4ccccc4[N+](=O)[O-])c3n2)cc(OC)c1OC	36348804	FJSSKPLQDDWVJN-UHFFFAOYSA-N	421.413	4.098	5	1	HIBF	
O=c1c(OCc2ccccc2[N+](=O)[O-])c(-c2ccccc2)oc2cc(O)cc(O)c12	64746247	SHLQESNZWZFKFP-UHFFFAOYSA-N	405.362	4.358	5	1	HIBF	
C[C@@]1(c2cc([N+](=O)[O-])ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587339747	URKVEAWJCJGJTK-UNMCSNQZSA-N	408.385	4.296	5	1	HIBF	
COc1cc(Nc2ncc3ccn(-c4ccc([N+](=O)[O-])cc4)c3n2)cc(OC)c1OC	36348824	BRIFBLWPVZKIQI-UHFFFAOYSA-N	421.413	4.098	5	1	HIBF	
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)nc1)c1ccccc1	96269774	RESQIOFIUHXDCZ-UHFFFAOYSA-N	407.433	4.467	5	1	HIBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	169723500	XEIJPGDIMONFNA-UYAOXDASSA-N	416.474	4.340	5	1	HIBF	
COCCNc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1[N+](=O)[O-]	587266503	ZGYYTOYWABYZJX-UHFFFAOYSA-N	414.425	4.293	5	1	HIBF	
Cc1noc(C)c1-c1ccc(C[C@H](O)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1	1857643025	QHLSISDHOMDXIV-NRFANRHFSA-N	404.426	4.328	5	1	HIBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2c(F)cccc2F)cc1	13584401	IOCMQPPYRHAXCY-UHFFFAOYSA-N	413.409	4.353	5	1	HIBF	
O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(NC34CC5CC(CC(C5)C3)C4)n2)cc1	29043666	NSERNZRHLGJSNF-UHFFFAOYSA-N	409.446	4.207	5	1	HIBF	
O=c1oc2cc(OCCCOc3ccc4c(c3)CCCC4)ccc2c(O)c1[N+](=O)[O-]	143786092	GOVMXQFZZCSSHI-UHFFFAOYSA-N	411.410	4.134	5	1	HIBF	
CCOc1ccccc1[C@](N)(c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(F)(F)F	587091338	DCIKSZKZYMFSFL-INIZCTEOSA-N	414.771	4.288	5	1	HIBF	
Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)O)[C@H](C[N+](=O)[O-])[C@H]4C)-c1ccccc1C2=O	587096539	CTXVOFQOWCRPTF-CSMYWGQOSA-N	416.433	4.323	5	1	HIBF	
CCOc1n[nH]c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Br	586980377	WSSJBUPWAYPKRD-UHFFFAOYSA-N	409.247	4.211	5	1	HIBF	
CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc3nc4ccccc4nc3cc2[nH]1	587193503	BWWDGNSQBSHKAQ-INIZCTEOSA-N	420.517	4.177	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	587240821	XJIJASASHYWWIW-PCMMCCAGSA-N	416.478	4.026	5	1	HIBF	
Cc1ccc2c(c1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@]2(O)c1ccc(Cl)cc1	142715501	BULODUWCUFNCEF-QFIPXVFZSA-N	408.841	4.406	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc([N+](=O)[O-])cn1	587860576	XONKDGRCORBWLW-UHFFFAOYSA-N	424.244	4.091	5	1	HIBF	
CC(C)(C)OC(=O)NCc1nc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1	587014106	KPWLASUXOPDTNN-UHFFFAOYSA-N	409.855	4.273	5	1	HIBF	
O=[N+]([O-])c1cnc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2c1	587021414	MUBXWBJPXNDXFD-UHFFFAOYSA-N	415.438	4.795	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714907	GLTADZZJRYOLBN-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
CSc1nc2c(c(=O)[nH]1)N=C(c1ccc([N+](=O)[O-])cc1)C[C@@H](c1ccccc1)N2	5503365	FBTSKLPIOXAXMS-INIZCTEOSA-N	407.455	4.078	5	1	HIBF	
COc1cc2ncc3c(N)nc(-c4cncc(Br)c4)cc3c2cc1OC	45255628	GYYLLBJLGKODFT-UHFFFAOYSA-N	411.259	4.207	5	1	HIBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl	64415738	JCFPDDMVYKAPQE-LJQANCHMSA-N	423.860	4.440	5	1	HIBF	
CN(C(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1	82214839	IOZWMSDYHBAURC-UHFFFAOYSA-N	409.490	4.057	5	1	HIBF	
COc1ccc2c(C)c(CCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c(=O)oc2c1C	586917472	CNFGRRSIDWCAEG-UHFFFAOYSA-N	407.426	4.297	5	1	HIBF	
O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccc([N+](=O)[O-])cc1	586987680	QHSCHSGJGGEFFQ-UHFFFAOYSA-N	410.385	4.485	5	1	HIBF	
CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587576734	PLKPPOHHGSKFCZ-KNQAVFIVSA-N	407.378	4.402	5	1	HIBF	
CCN(CC)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc12	1857603906	LYJRFZPBCCMKSU-MDWZMJQESA-N	423.492	4.413	5	1	HIBF	
C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135664	GKBJTMBQURYDIU-CALCHBBNSA-N	423.517	4.160	5	1	HIBF	
CCN(CC)c1ccc2nc3c4ccccc4c(=NCCC(=O)OC)cc-3oc2c1	377803808	KBBZTKKUSFQBPF-UHFFFAOYSA-N	403.482	4.396	5	1	HIBF	
Cc1cc(Br)c2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1	587117442	SBQRBCHJUJXIGJ-UHFFFAOYSA-N	418.173	4.114	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	587239810	ONIQKZIMNTWNGK-FFUDGTDTSA-N	416.478	4.026	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c([N+](=O)[O-])cccc12	587577274	RQSKNQQELVFWAF-AVRDEDQJSA-N	402.362	4.485	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N1	587752310	QVPMGRJKAHTLKO-ONUMYQOESA-N	423.286	4.238	5	1	HIBF	
CCO/C(O)=C1\C(C)=NC(=S)N(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	26579036	IXIXBYHIWIUFLB-DPEHCCBOSA-N	407.448	4.048	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(C(F)(F)F)c3)cc1)C2	45260967	VLFXFQYHACQXKB-KRWDZBQOSA-N	419.359	4.455	5	1	HIBF	
COc1cccc(Cl)c1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1	45286578	UQXPRQPHPCWXES-HNNXBMFYSA-N	415.833	4.098	5	1	HIBF	
CCCc1c(C(=O)O)nc2c(CCC)c3oc(C(=O)O)cc(=O)c3cc2c1Cl	29544113	MAYYBUCMALFATF-UHFFFAOYSA-N	403.818	4.296	5	1	HIBF	
CC(C)c1ccc2nc3ccc(C(=O)N[C@H](C)CCc4cccnc4)cn3c(=O)c2c1	29564167	PILGFSAXHNUWPL-QGZVFWFLSA-N	414.509	4.117	5	1	HIBF	
CCN1CCc2c(c3cc(OC)c(OC)cc3c3c(OC)c(OC)c(OC)cc23)C1	72317688	CJQFCLWELGXMNS-UHFFFAOYSA-N	411.498	4.414	5	1	HIBF	
CNc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587747667	PFRJUPHDWXGYHY-YPMLDQLKSA-N	408.271	4.336	5	1	HIBF	
COc1ccccc1CN1O[C@@H](CO)C[C@@H]1c1ccc2ccc3cccnc3c2n1	1857634392	UKICPRZCDUAABF-TZIWHRDSSA-N	401.466	4.031	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2cc(CCCCN3CCN(c4ccccc4)CC3)on2)c1	13441279	AFTMDSQMJPSVNL-UHFFFAOYSA-N	406.486	4.395	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](N)[C@@H]1CCCN1C3	73296353	YKAACOIAAMSSCB-MHECFPHRSA-N	408.498	4.005	5	1	HIBF	
CC(C)(C)C(=O)Oc1ccc(O)c2c3c(c4c5ccccc5[nH]c4c12)C(=O)NC3=O	28710886	RYZYOOQUGNUDPU-UHFFFAOYSA-N	402.406	4.015	5	1	HIBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	169723499	XEIJPGDIMONFNA-ICSRJNTNSA-N	416.474	4.340	5	1	HIBF	
O=Cc1ccc(OCc2occc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1	586900493	KNWPICJYWDBDRB-UHFFFAOYSA-N	408.326	4.031	5	1	HIBF	
Cc1cc(N(C)Cc2nc3ccc(Br)c(O)c3[nH]2)c([N+](=O)[O-])cc1F	587136707	JKZLMDMYJPYBTI-UHFFFAOYSA-N	409.215	4.023	5	1	HIBF	
C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587332222	FPTUEMSYEMNLDQ-RBBKRZOGSA-N	408.385	4.296	5	1	HIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577356	RYQBRWZXZGSGPK-DENIHFKCSA-N	423.377	4.021	5	1	HIBF	
CC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587747503	OOGNIFSCTWRQTG-WLRWDXFRSA-N	421.266	4.253	5	1	HIBF	
CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@@H]2c3ccsc3CCN2C(N)=O)cc1OC	962701531	BLZSODRERPZMLY-BLVKFPJESA-N	419.503	4.116	5	1	HIBF	
C[C@@]1(COCc2ccc(OCc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2S1	1857639981	POSVQAJLVZUBDN-NRFANRHFSA-N	411.483	4.452	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1	72178944	CKCCYKSNUXDCHG-JIIJFUIFSA-N	421.453	4.324	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	587240823	XJIJASASHYWWIW-QTPGKHNVSA-N	416.478	4.026	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)nn2)c1	587269229	IWNLTANEEURUCQ-UHFFFAOYSA-N	424.726	4.271	5	1	HIBF	
Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n2)cc1	587874507	DQJAFXHAJFKIEU-UHFFFAOYSA-N	419.372	3.945	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)O2	587388495	DADFVTYHFRLHCT-QHCPKHFHSA-N	418.405	4.093	5	1	HIBF	
CC1(C)Oc2nc([N+](=O)[O-])cn2C[C@H]1OCc1ccc(OCc2ccccc2)cc1	1772599704	AALSHKOJWBNSTL-LJQANCHMSA-N	409.442	4.127	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc([N+](=O)[O-])c2F)N1	587713965	DQMMLNWYUDSIOJ-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCC(NCC[C@@H](O)c3ccccc3)CC2)c(C(F)(F)F)c1	1857746105	PIZXTQAFUTVGHV-HXUWFJFHSA-N	423.435	4.296	5	1	HIBF	
O=C(CCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cn1	587081817	GYBTXWWHMBAQEF-UHFFFAOYSA-N	423.654	4.488	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587419667	HSKHVWRFFWJUNO-IFXJQAMLSA-N	407.344	4.371	5	1	HIBF	
O=[N+]([O-])c1nn(Cc2ccc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)o2)cc1Cl	963102456	KFLNPXLBXFYYSD-AUUYWEPGSA-N	416.840	4.335	5	1	HIBF	
CCN(CC)CCN1CCN(c2c3ccccc3nc3c2[nH]c2ccccc23)CC1	95579204	PJCSSCZICNHEIP-UHFFFAOYSA-N	401.558	4.333	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@H]2CCCC[C@@H]21	587027519	RNOPQVKCRFSJLP-KBMXLJTQSA-N	411.487	4.003	5	1	HIBF	
COC(=O)c1ccc2c(c1)[nH]c1c2c2c(c3c4cccc5c4n(c13)CCC5)C(=O)NC2=O	14945583	LMEHASZSUGBNTJ-UHFFFAOYSA-N	423.428	4.045	5	1	HIBF	
C[C@@](O)(COC(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	34801514	FOLWOILDBKOYKZ-GOSISDBHSA-N	408.332	4.159	5	1	HIBF	
COc1cc2c(cnc3c4cc(OC)c(OC(C)=O)cc4ccc23)cc1OC(C)=O	40936979	IKROTCPEGBNOAM-UHFFFAOYSA-N	405.406	4.409	5	1	HIBF	
COc1ccc(OCc2cn(Cc3cc(=O)oc4ccc5ccccc5c34)nn2)cc1	653766949	MUUZVMIAPTWBPL-UHFFFAOYSA-N	413.433	4.174	5	1	HIBF	
CN1C(=O)C[C@H]2CN[C@@](Cc3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32	963023864	IKCATUGSIVRKJP-BVZFJXPGSA-N	413.477	4.134	5	1	HIBF	
O=C(Oc1cc(Cl)ccc1C(=O)Nc1ncc([N+](=O)[O-])s1)c1ccccc1	95560677	PRAJBVRPWJYGJO-UHFFFAOYSA-N	403.803	4.176	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)O[C@@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2	115609006	PRVWQOCOTCCZQI-MRXNPFEDSA-N	421.331	4.197	5	1	HIBF	
Cc1cnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1	587336322	NCZOQLINVWGOBZ-UGKGYDQZSA-N	408.385	4.417	5	1	HIBF	
CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)CC1	587643647	IBOLGECILLNIQW-UHFFFAOYSA-N	415.291	4.257	5	1	HIBF	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1	82147843	TXOVLQGYGYJIGE-LIRRHRJNSA-N	409.490	4.182	5	1	HIBF	
Cc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cccc1[N+](=O)[O-]	587261036	QGZMZKSMUSGILO-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
COc1cccc(-c2cc(Cn3cnc([N+](=O)[O-])n3)nc3c2oc2ccccc23)c1	587362656	IUHSRPGXQWEHKS-UHFFFAOYSA-N	401.382	4.205	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cccc(Oc3nn(C)cc3[N+](=O)[O-])c1)CC2=O	587471504	SDRNRSWVRRFFDO-HXUWFJFHSA-N	423.425	4.485	5	1	HIBF	
CCOC(=O)[C@](Cc1ccccc1)(Nc1ccccc1)[C@H](O)c1ccc([N+](=O)[O-])cc1	206047263	YHDJSVYPJOUDKC-ISKFKSNPSA-N	420.465	4.285	5	3	HIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587268584	FUDVRCDKIRISSY-UHFFFAOYSA-N	416.157	4.260	5	1	HIBF	
CCOC(=O)[C@](Cc1ccccc1)(Nc1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1	206047317	YHDJSVYPJOUDKC-LADGPHEKSA-N	420.465	4.285	5	3	HIBF	
CC(=O)c1c(Nc2ccc([N+](=O)[O-])cc2)nc2c([N+](=O)[O-])cc(Cl)cc2c1O	84605180	RRYMDGOFAVFJKS-UHFFFAOYSA-N	402.750	4.356	5	1	HIBF	
O=C(c1ccc(SCc2cccnc2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1	82148424	LGCWCXFDEULYJX-UHFFFAOYSA-N	405.479	4.481	5	1	HIBF	
COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1	587783868	BCASWHIMRHKKQN-RYUDHWBXSA-N	416.231	4.177	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587266972	CZZJOBQJIGGLRY-SSDOTTSWSA-N	418.173	4.367	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2cccc3c2n1[C@H](CO)CC3	14945612	ZXRLLGKSBLTSNU-HNNXBMFYSA-N	406.441	4.464	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587745452	HGJUTRONPQSFLA-ZKANADHPSA-N	410.199	4.028	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587748129	UVSGCASXRCMZJR-ZKANADHPSA-N	410.199	4.028	5	1	HIBF	
Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)o1	82135525	RNBKPIXGZFUZSC-UHFFFAOYSA-N	421.457	4.191	5	1	HIBF	
CSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1ccc([N+](=O)[O-])cc1	103948370	QGSIOUVCQBSUAR-RVAQLADHSA-N	416.459	4.245	5	1	HIBF	
C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC1OCCO1	587647327	VYFYLBGJJIYWOX-CYBMUJFWSA-N	419.478	4.357	5	1	HIBF	
C[C@]12C[C@@H](NC(=O)N1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O2	2498631	RNWBZSJFQLJKPG-PBHICJAKSA-N	404.220	4.127	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3cnc1c1c2c2ccccc2n1CCCCO	13488702	ZQFCAOAWYFAXAD-UHFFFAOYSA-N	409.445	4.152	5	1	HIBF	
O=C(NCC1CCCCC1)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82134483	XRRNFOFFCNGRFS-UHFFFAOYSA-N	409.490	4.184	5	1	HIBF	
CCN(CC)CCNc1ccc(CNC(=O)OC)c2sc3ccccc3c(=O)c12	100808773	FIEQGKUOKIEBDD-UHFFFAOYSA-N	413.543	4.024	5	1	HIBF	
CC(C)[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587512968	QRAMIBLCAKNIRG-DEOSSOPVSA-N	422.481	4.264	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587748723	VXDBRRFBVGESMN-VPTHRUTESA-N	410.199	4.028	5	1	HIBF	
Cc1ccc([N+](=O)[O-])cc1[S@@](=O)c1nc(-c2cnc3ccc(Cl)cn23)cs1	28641295	ADSDNLVIHODCEH-MHZLTWQESA-N	418.887	4.495	5	1	HIBF	
Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)O)[C@@H](C[N+](=O)[O-])[C@H]4C)-c1ccccc1C2=O	587096547	CTXVOFQOWCRPTF-JLZZUVOBSA-N	416.433	4.323	5	1	HIBF	
CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3cccc([N+](=O)[O-])c23)n1	587644471	FJLGYKDXIWVLAH-UHFFFAOYSA-N	411.805	4.154	5	1	HIBF	
O=C(OCCCCN1CCC(OCc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1	28650693	CBYWQHUSTLWEBJ-UHFFFAOYSA-N	412.486	4.213	5	1	HIBF	in-vivo
O=C(c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCC1	82135252	UYXPKPBPYZTMAX-UHFFFAOYSA-N	409.490	4.280	5	1	HIBF	
O=Nc1c(-[c-]2c(=O)[nH]c3cc(Br)c([N+](=O)[O-])cc32)[nH]c2ccccc12	169685113	QAVXMZUMOXKXGN-UHFFFAOYSA-N	400.168	4.464	5	1	HIBF	
Cc1cc(NCCCN)c2ccc3c(ccc4c(NCCCN)cc(C)nc43)c2n1	71317494	LNHXTFQRXBQDOR-UHFFFAOYSA-N	402.546	4.074	5	1	HIBF	
CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587575728	KWKJQPLRSNFGQN-SIKLNZKXSA-N	406.394	4.069	5	1	HIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-]	587871611	KZCRITDXMPWMAH-AWEZNQCLSA-N	413.405	4.412	5	1	HIBF	
CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])n2)/C1=C(/O)OCCc1ccccc1	29486386	NVOIQSTYVRNWQI-UQNFDQQLSA-N	424.413	4.085	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1	82149652	VTNWUXXLDGOPEG-ZDUSSCGKSA-N	409.446	4.094	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)cccc4[nH]3)cc2)nc1C(F)(F)F	587118077	JOAYDJNSMJMUOX-UHFFFAOYSA-N	403.320	4.107	5	1	HIBF	
CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@H]1CCCC[C@@H]1O	775610	IATKJXJQZTWSJL-ZFWWWQNUSA-N	421.881	4.234	5	1	HIBF	
CN1[C@H]2CC[C@@H]1C[C@H](O[P@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)C2	100097634	VZXIPESVYBSJJR-ARDOOBNCSA-N	402.387	4.134	5	1	HIBF	in-vitro
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCCN1CCCC1)C2	473155085	PADBDYHRCWJCLV-LJQANCHMSA-N	401.510	4.446	5	1	HIBF	
Cc1cc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2cc1[N+](=O)[O-]	586960807	PMLYLWCRWMYXFW-VWLOTQADSA-N	422.304	4.282	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587748507	VHFWAPGCGRJLSJ-VPTHRUTESA-N	410.199	4.028	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82149915	BPWDSPAVXPYHNH-HRCADAONSA-N	411.506	4.062	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1cccc(Br)c1[N+](=O)[O-])[C@@H](C2)C3=O	587413302	MONDLCBZMZLDEY-KPZWWZAWSA-N	404.216	4.029	5	1	HIBF	
CC1=NN=C(N)N/C1=C\[C@@H](Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	103009538	LMKDVVNSHRBBNH-LPPOOGIUSA-N	401.879	4.259	5	1	HIBF	
c1cncc(-c2noc(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)n2)c1	586967487	ZLUIYAQRAJBJQA-UHFFFAOYSA-N	411.450	4.397	5	1	HIBF	
CCOC(=O)Cc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1	587109686	LRFMGYNBDBNTML-UHFFFAOYSA-N	407.348	4.186	5	1	HIBF	
O=[N+]([O-])c1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c([N+](=O)[O-])c1	587263757	DEXNZOMBAQFOOR-UHFFFAOYSA-N	411.599	4.386	5	1	HIBF	
COc1cccc(-c2nc3ccccc3c(=Nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[nH]2)c1	1857750268	DZMLMXPNPKXTRR-UHFFFAOYSA-N	417.381	4.287	5	1	HIBF	
COc1c(-c2ccc(O)c([N+](=O)[O-])c2)ccc(-c2ccc(O)c([N+](=O)[O-])c2)c1OC	299852524	UCRUDILFMPEHCJ-UHFFFAOYSA-N	412.354	4.265	5	1	HIBF	
Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2cc1[N+](=O)[O-]	586999817	DGXOLIJJROYWIJ-ZDUSSCGKSA-N	414.263	4.266	5	1	HIBF	
CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149810	GYIVVOUKMKKPMK-HRCADAONSA-N	411.506	4.380	5	1	HIBF	
CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc3cc4nc5ccccc5nc4cc3n12	299862740	NUAQAMBQAUYQNU-UHFFFAOYSA-N	422.448	4.255	5	1	HIBF	
CCCn1cnc2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)cc(Br)c21	587002826	DQLSNDMBURXWOZ-UHFFFAOYSA-N	401.224	4.055	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12	587155799	HKWMEURWTZVEGC-UHFFFAOYSA-N	412.402	4.078	5	1	HIBF	
C[C@H](C(=O)O)N(Cc1ccccc1Cl)Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	10450442	XKIUMUVKYCUVAG-SNVBAGLBSA-N	411.823	4.139	5	1	HIBF	
COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587578731	XGQXKIOLRGDBAU-DENIHFKCSA-N	407.378	4.186	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587743403	APQRGNDJJSIZEU-XYZCENFISA-N	424.226	4.202	5	1	HIBF	
Cc1c(Cl)cccc1CNc1ncc([N+](=O)[O-])c(NCC2CCC(CN)CC2)n1	28898558	SIHMBCMIDYTYIB-UHFFFAOYSA-N	418.929	4.136	5	1	HIBF	
O=[N+]([O-])c1ccc2nc3c4ccccc4n(CCCCN4CCOCC4)c3cc2c1	33848667	UGUZCRGOZUIJAQ-UHFFFAOYSA-N	404.470	4.363	5	1	HIBF	
COCCNc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1[N+](=O)[O-]	587262605	YWSOPLOIXZSOJQ-UHFFFAOYSA-N	418.457	4.028	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)[C@@H]1c1ccc(F)cc1	587342762	PROVPUAWCWNQIT-FYYLOGMGSA-N	405.381	4.336	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cccc([N+](=O)[O-])c12	587573451	BXKHZWANMADGIC-KNQAVFIVSA-N	402.362	4.485	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1F	587183311	CGDCCKQIODUNJY-PLNGDYQASA-N	409.158	4.385	5	1	HIBF	
CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587575727	KWKJQPLRSNFGQN-KNQAVFIVSA-N	406.394	4.069	5	1	HIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc([N+](=O)[O-])cc1C	587868474	MGBXUGYKHNGEMG-UHFFFAOYSA-N	421.335	4.269	5	1	HIBF	
CC1(C)CC(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC(C)(C)N1[O]	101268963	SEMZZFHBJWNNRZ-ZRDIBKRKSA-N	412.466	4.351	5	1	HIBF	
O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1cccc(F)c1	1857567453	MBMLKWZCDOFLHK-UHFFFAOYSA-N	419.372	4.379	5	1	HIBF	
O=[N+]([O-])c1cccc(CNC[C@H]2CCC[C@@H](CNCc3cccc([N+](=O)[O-])c3)C2)c1	45357531	MFNJBRMRTOXEHJ-HDICACEKSA-N	412.490	4.189	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1[N+](=O)[O-])CC2=O	587468916	FJEGIHGESZOFRK-QFIPXVFZSA-N	413.426	4.067	5	1	HIBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@@H](C)N1C(=O)Nc1ccccc1[N+](=O)[O-]	1857612738	HFEWVTJGXTWOLR-GASCZTMLSA-N	422.441	4.108	5	1	HIBF	
COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc([N+](=O)[O-])cc4)c32)cc1	114320659	CKKKZCGSPJKNTL-UHFFFAOYSA-N	410.451	4.022	5	1	HIBF	
O=C(NCc1ccccc1)c1cnc(NC2CCCC2)nc1-c1cccc([N+](=O)[O-])c1	82135617	ZQGYIGNJAGSBPT-UHFFFAOYSA-N	417.469	4.336	5	1	HIBF	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)cc2F)c1	587144458	ZAZIJIYLFUCBLJ-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
CCN(CC)CCn1[nH]c2c3c(Cl)c(O)ccc3nc3c([N+](=O)[O-])ccc1c32	27527263	PLQLEUXFSDSLST-UHFFFAOYSA-N	401.854	4.280	5	1	HIBF	
CC(C)(C)[C@@H]1CCc2sc(NC(=O)c3ccccc3[N+](=O)[O-])c(C(N)=O)c2C1	45254630	RTCKEJYEZRHNMB-LLVKDONJSA-N	401.488	4.159	5	1	HIBF	
O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1CCc1ccc([N+](=O)[O-])cc1	66124582	JMMHDLXGGQORPD-QFIPXVFZSA-N	408.841	4.140	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1	587268949	DZYMJCBLJTWACJ-UHFFFAOYSA-N	422.338	4.047	5	1	HIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(OC)cc4[N+](=O)[O-])o1)[C@@H](C2)C3=O	587433099	NNIJWFDMGDDZTD-OYHNWAKOSA-N	407.378	4.361	5	1	HIBF	
COCCOc1ccc2oc3c4ccccc4oc(=O)c3c2c1CN1CCCCC1=O	1857609675	JPIBKCSSNMCPKV-UHFFFAOYSA-N	421.449	4.230	5	1	HIBF	
Nc1nc2oc3ccc(C4CCC(C(F)(F)F)CC4)cc3c(=O)c2cc1C(=O)O	1857654025	IWRDAGPFBDIOHT-UHFFFAOYSA-N	406.360	4.458	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587748724	VXDBRRFBVGESMN-ZKANADHPSA-N	410.199	4.028	5	1	HIBF	
COc1ccc(CCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(OC)c1	587928560	KBPSWIYSDITPSW-UHFFFAOYSA-N	420.263	4.426	5	1	HIBF	
O=[N+]([O-])c1cc(NC2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CO	1857764934	QSKJAMRICDMNSJ-UHFFFAOYSA-N	409.408	4.182	5	1	HIBF	
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3cccc([N+](=O)[O-])c3)CC1)C2	1482648	SQRIUXQNIAMKTL-IBGZPJMESA-N	424.497	4.269	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587268051	WBMPIJLOVWWXMC-SSDOTTSWSA-N	418.173	4.367	5	1	HIBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	587270492	ZUIKPPGSXSDJML-UHFFFAOYSA-N	401.378	4.094	5	1	HIBF	
O=[N+]([O-])c1ccc(C2=Nn3c(Cc4ccc5ccccc5c4)nnc3SC2)cc1	1772636284	QBDFAEKUFFGECG-UHFFFAOYSA-N	401.451	4.288	5	1	HIBF	
Cc1cc(N2CCC(NC(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1	299871799	ZIEMVJLLQSEHEY-UHFFFAOYSA-N	421.526	4.407	5	1	HIBF	
CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc([N+](=O)[O-])ccc12	587649152	RNUZQCUDYJGHRM-ZDUSSCGKSA-N	417.462	4.367	5	1	HIBF	
COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260757	CKVPPWYEZLQGNS-UHFFFAOYSA-N	401.382	4.252	5	1	HIBF	
CC(C)Oc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1	587269682	MAWVXRSCBTXIHH-UHFFFAOYSA-N	408.458	4.278	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(C(F)(F)F)c3)c1)C2	45255126	UGPQMSWMTKBDPY-KRWDZBQOSA-N	419.359	4.455	5	1	HIBF	
COCCNc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	587262559	XEZFBUMKMOLIIA-UHFFFAOYSA-N	405.252	4.267	5	1	HIBF	
O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587657060	RQNGODGDGUCLEI-UHFFFAOYSA-N	424.319	4.147	5	1	HIBF	
C[N@@+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	261129645	KVBKUXNXDGXGGR-RNAHPLFWSA-O	412.557	4.375	5	1	HIBF	
COc1cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1	587143501	GGJXPMHNVWJQAA-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3[N+](=O)[O-])CC1)C2	3814288	MJYITRIIINQALM-LJQANCHMSA-N	424.497	4.269	5	1	HIBF	
CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cn1	587247740	RQICEHGBDBDUGE-UHFFFAOYSA-N	418.251	4.280	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cccc([N+](=O)[O-])c1	587862510	BRRNBZIFXBXQML-UHFFFAOYSA-N	421.331	4.205	5	1	HIBF	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82214760	DZFQJUDFPGERKC-OXQOHEQNSA-N	423.517	4.351	5	1	HIBF	
CCCCS(=O)(=O)N[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)C(C)C	586933441	RQMXYWMLJQLJLF-HXUWFJFHSA-N	411.531	4.076	5	1	HIBF	
CCOC(=O)Cc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1	586979613	GWIYRTRKOPQLOV-UHFFFAOYSA-N	418.247	4.315	5	1	HIBF	
C[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H](C)N1C(=O)Nc1ccc([N+](=O)[O-])cc1	1857566481	ANZCFROLHQIXGK-GJZGRUSLSA-N	422.441	4.108	5	1	HIBF	
Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c([N+](=O)[O-])c1	6500597	ZXWOCZXDAWGEGQ-UHFFFAOYSA-N	409.398	4.074	5	3	HIBF	
CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@@H]1CCCC[C@@H]1O	775611	IATKJXJQZTWSJL-HIFRSBDPSA-N	421.881	4.234	5	1	HIBF	
CC1=C(c2ccc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1	587048699	DIIDAEIUSLNBFN-XVNBXDOJSA-N	409.833	4.050	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@](CC[N+](=O)[O-])(c2ccccc2)[C@@H]1c1ccc(F)cc1	587340493	VYOHAWSXCHPAJZ-FYYLOGMGSA-N	407.397	4.453	5	1	HIBF	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3c3ccccc23)CC1	1772571933	DTAXLGPDCYTIAR-UHFFFAOYSA-N	412.449	4.259	5	1	HIBF	
CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OC)c([N+](=O)[O-])c2)cs1	82222856	GDTPMHQVWUZEDU-INIZCTEOSA-N	418.519	4.002	5	1	HIBF	
Cc1nn(-c2cc(Oc3ccc([N+](=O)[O-])cc3)c(Cl)cc2F)c(=O)n1C(F)F	103181438	FDPDPIOXSVCHJZ-UHFFFAOYSA-N	414.727	4.231	5	1	HIBF	
Cc1onc(-c2nc3c(F)cc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080063	QIDMOMAAOVWMIW-UHFFFAOYSA-N	411.180	4.125	5	1	HIBF	
CCOC(=O)c1nc(O)c2cc3cc(OCC)c(OCc4ccccc4)cc3nc2n1	26648948	YWFRSKDJFLMRRR-UHFFFAOYSA-N	419.437	4.038	5	1	HIBF	
O=c1c(O)c(-c2ccccc2)oc2cc(OCc3cccc([N+](=O)[O-])c3)cc(O)c12	64539235	JOSKEPINOZYMEV-UHFFFAOYSA-N	405.362	4.358	5	1	HIBF	
Cc1cc(N(C)Cc2nc3ccc(Br)c(F)c3[nH]2)c([N+](=O)[O-])cc1F	587136711	JOKCYAFLZMNQIG-UHFFFAOYSA-N	411.206	4.457	5	1	HIBF	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587274267	OVUGEBWMNDNKGU-ZETCQYMHSA-N	418.173	4.253	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c([N+](=O)[O-])cccc12	587577275	RQSKNQQELVFWAF-GCJKJVERSA-N	402.362	4.485	5	1	HIBF	
COc1cccc(CCn2c(N)c(-c3ccccc3)c3ccc([N+](=O)[O-])cc3c2=O)c1	1652628	GOBFVUPFALHYGS-UHFFFAOYSA-N	415.449	4.410	5	1	HIBF	
CN(C)C[C@@H]1Cc2cccc3c4c5c(c6c7ccccc7[nH]c6c4n(c23)C1)C(=O)NC5=O	14945624	KQTRPQULIVKASA-ZDUSSCGKSA-N	422.488	4.047	5	1	HIBF	
COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C2)C3=O	587432781	LTEVLDRXVWXXBU-HYFFOGBASA-N	424.409	4.356	5	1	HIBF	
CCN(c1ccc(-c2csc(Cc3ccc([N+](=O)[O-])cc3)n2)cc1)S(C)(=O)=O	587922965	IXRXPZKVZONDLD-UHFFFAOYSA-N	417.512	4.095	5	1	HIBF	
C[N+](C)(CCOc1ccccc1)C[C@H]1COC(c2ccccc2)(c2ccccc2)O1	13517533	GTHCXFVEFGHMCA-VWLOTQADSA-N	404.530	4.459	5	1	HIBF	
O=C(NCC1CC1)c1cnc(NCC2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82135155	RUPMBRCCDIZMTF-UHFFFAOYSA-N	409.490	4.184	5	1	HIBF	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc([N+](=O)[O-])cc1	82147849	TXOVLQGYGYJIGE-IFXJQAMLSA-N	409.490	4.182	5	1	HIBF	
CCOC(=O)c1cc(O)c(OCc2cc(=O)oc3c2ccc2ccccc23)c(O)c1	103285887	IJJAZWFYJKOMLS-UHFFFAOYSA-N	406.390	4.113	5	1	HIBF	
CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1	586972660	KCQKQIRQBIXNMK-UHFFFAOYSA-N	407.473	4.133	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12	586999805	CAFIQTKVKBEQFV-PLNGDYQASA-N	402.204	4.175	5	1	HIBF	
C[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)Cc2ccc(F)cc2C(=O)O1	587173302	XTQXLOKKMGTFOM-KRWDZBQOSA-N	420.194	4.001	5	1	HIBF	
NCC1CCC(CNc2nc(NCc3ccccc3C(F)F)ncc2[N+](=O)[O-])CC1	28898452	UTDDXICEXBLEER-UHFFFAOYSA-N	420.464	4.112	5	1	HIBF	
COc1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587054433	KPVOUGAHGYCDAY-KRWDZBQOSA-N	402.838	4.260	5	1	HIBF	
COc1cccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)c1	587936478	JMKZMOIRTPWGMI-UHFFFAOYSA-N	405.204	4.235	5	1	HIBF	
CCCCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OC2CCCC2)=C1C	40565316	SDOZZJVZISKKNZ-IBGZPJMESA-N	401.463	4.221	5	1	HIBF	
CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587512253	MOOCAFYUGWADJA-QHCPKHFHSA-N	409.438	4.288	5	1	HIBF	
Cc1cc(-c2nnc(COc3ccccc3)o2)c2nc(O)c3ccccc3c(=O)c2c1	1857759046	IAMTWIXPZNPJSY-UHFFFAOYSA-N	411.417	4.391	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2ccccc2[N+](=O)[O-])N1	587744816	FUXZFDGVIMVKML-VOJFVSQTSA-N	409.255	4.325	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587749294	DPLIMYIFTMKYDF-XTZNXHDOSA-N	405.223	4.180	5	1	HIBF	
C[C@]1(COc2ccc(-c3ccc(C(F)(F)F)cc3)cn2)Cn2cc([N+](=O)[O-])nc2O1	653722900	RAAOIOIVUWZXCV-GOSISDBHSA-N	420.347	4.102	5	1	HIBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc([N+](=O)[O-])cc2)(C2CCNCC2)N1	962948738	OMKDJUQHINZKFL-MHECFPHRSA-N	404.514	4.244	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82149913	BPWDSPAVXPYHNH-XHSDSOJGSA-N	411.506	4.062	5	1	HIBF	
Cc1c(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])cccc1[N+](=O)[O-]	38148309	HKQQRUTZKBDGOJ-UHFFFAOYSA-N	417.378	4.325	5	3	HIBF	
O=[N+]([O-])c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1[N+](=O)[O-]	587042766	GDIBAEAKUARTKY-UHFFFAOYSA-N	418.456	4.437	5	1	HIBF	
Cc1[nH]nc2c1[C@H](c1c(Cl)cccc1[N+](=O)[O-])c1c(nc3c(c1N)CCCC3)O2	1857638227	BBBBEZWTLXJLBZ-MRXNPFEDSA-N	411.849	4.422	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	587746309	JMVGTGOBUSYJSY-BMIGLBTASA-N	409.255	4.323	5	1	HIBF	
O=c1c(OCc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)oc2cc(O)cc(O)c12	64512749	AQYLSMJOJXWVLA-UHFFFAOYSA-N	405.362	4.358	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N1	587747380	NFAQJBBHTBDIHE-BCTVWOGZSA-N	410.199	4.028	5	1	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3ccc(C=O)cc3)cc2)c([N+](=O)[O-])cc1OC	653708494	QDIGUFGBKKMCOA-NRFANRHFSA-N	407.422	4.368	5	1	HIBF	
C[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1	587154084	CQRQTPIUUYRLHJ-QGZVFWFLSA-N	419.210	4.164	5	1	HIBF	
CCCc1nc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)nn1-c1ccccc1F	587157087	VNYVMUDPSGVPLE-UHFFFAOYSA-N	400.801	4.464	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587751485	MYHSXAPFPRLLJU-XTZNXHDOSA-N	407.239	4.057	5	1	HIBF	
CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	769336	QBIHYZHFKVQVDR-WBVHZDCISA-N	408.241	4.082	5	1	HIBF	
C[N+]1(CCCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1	28902627	LTXZRZOBWUSZAK-UHFFFAOYSA-O	400.502	4.405	5	1	HIBF	
O=C(O)c1cccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1	58540724	YJLRQUGTWVZNRR-OUKQBFOZSA-N	413.389	4.163	5	1	HIBF	
Cc1cnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1	587336310	NCZOQLINVWGOBZ-DENIHFKCSA-N	408.385	4.417	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cc([N+](=O)[O-])c1O	587549177	RDEAJJNFYWAEAX-JXFKEZNVSA-N	413.769	4.362	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587754042	XNISVGMPPQJUDN-YPMLDQLKSA-N	407.239	4.057	5	1	HIBF	
C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	28014657	DERVQJUXODKBDF-INIZCTEOSA-N	400.378	4.095	5	1	HIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc(Br)c1O	28245064	DENQMFJBUUCQDO-UHFFFAOYSA-N	416.025	4.078	5	1	HIBF	
CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@]12NCCc1cc(-c3ccccc3)ccc12	962666321	LTQXBJARHOEACJ-RCZVLFRGSA-N	412.445	4.053	5	1	HIBF	
CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82214889	ZSLHVDZJIDYNJE-XHSDSOJGSA-N	411.506	4.380	5	1	HIBF	
Cc1cnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1	587336318	NCZOQLINVWGOBZ-SIKLNZKXSA-N	408.385	4.417	5	1	HIBF	
CCOC(=O)c1cc(Br)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1	587270644	PGVYQLCGJGGAFG-UHFFFAOYSA-N	418.247	4.196	5	1	HIBF	
O=[N+]([O-])c1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1[N+](=O)[O-]	587076966	OFEFKVBMJXBPHL-OAHLLOKOSA-N	401.810	4.370	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Br)cnc2[nH]1	587108971	FDOWMENJHLMBCI-UHFFFAOYSA-N	401.142	4.238	5	1	HIBF	
CN(C)CCCNc1c2ccccc2nc2c1oc1ccc(OCCN(C)C)cc12	1772643225	ISUWJWVVEODHIB-UHFFFAOYSA-N	406.530	4.438	5	1	HIBF	
Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(CCCO)c4c12)C(=O)NC3=O	13535070	DREUZDPUKRSNMT-UHFFFAOYSA-N	411.461	4.014	5	1	HIBF	
CCCOc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc([N+](=O)[O-])c1O	587473224	RIPDMCHPTNPANH-GOSISDBHSA-N	401.415	4.454	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749229	CUTQDVGIXICWSL-YYSFKGJASA-N	423.238	4.023	5	1	HIBF	
NC(=O)N1c2ccccc2C[C@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	26574044	CRAGGPZREJQBNS-NRFANRHFSA-N	417.421	4.195	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1	43073182	XFOUOFOWLDRRLI-MJGOQNOKSA-N	403.435	4.026	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(F)c(Br)n3)nc12	587154543	ALYSSOTYVQYISP-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
CO[C@H](C)COC1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1	587952309	OPJNVBSSBWABFN-XSRFYTQQSA-N	412.284	4.311	5	1	HIBF	
CSc1nc2c(c(=O)n1C)N=C(c1ccc([N+](=O)[O-])cc1)C[C@H](c1ccccc1)N2	5835971	WSASOTZFWHBMOA-QGZVFWFLSA-N	421.482	4.088	5	1	HIBF	
O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1	587231623	SMMDXXWDAJZRNW-UHFFFAOYSA-N	417.425	4.360	5	1	HIBF	
Cc1c(Br)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1C	587263516	BEWQCVXFYMUYAR-UHFFFAOYSA-N	405.208	4.349	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc([N+](=O)[O-])c12	587573447	BXKHZWANMADGIC-DENIHFKCSA-N	402.362	4.485	5	1	HIBF	
COc1ccc(-c2cc(O)n(-c3cccc(Br)c3[N+](=O)[O-])c2O)cc1	587935574	CJCMKLWGOHRDNQ-UHFFFAOYSA-N	405.204	4.235	5	1	HIBF	
C[N+](C)(CCOc1ccccc1)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1	13517530	GTHCXFVEFGHMCA-RUZDIDTESA-N	404.530	4.459	5	1	HIBF	
Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1	1772641994	MQQQLFRHHWOKGR-UHFFFAOYSA-N	417.534	4.207	5	1	HIBF	
NCCCCN(CCCN)CCCCNCc1c2ccccc2cc2ccccc12	27200023	BHQZJHUNXJNLMM-UHFFFAOYSA-N	406.618	4.253	5	1	HIBF	
COc1cc(C)c(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c(C)c1	45317292	JMYVQWWTAFPCOZ-IBGZPJMESA-N	409.442	4.062	5	1	HIBF	
O=c1cccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n1CCOc1ccccc1Cl	587064153	NFVCOPMFILEULR-UHFFFAOYSA-N	410.817	4.032	5	1	HIBF	
CC1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149512	FIVPQAKVTIBXKA-UHFFFAOYSA-N	423.517	4.160	5	1	HIBF	
CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12	587648531	HBULUAYEGODXRE-OAHLLOKOSA-N	403.435	4.325	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc([N+](=O)[O-])cc1	587863178	SXMUVEVBZIBHRU-UHFFFAOYSA-N	421.331	4.205	5	1	HIBF	
CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3cnccc3c21	71281942	JJDNEZWMMJNLGF-UHFFFAOYSA-N	405.498	4.062	5	1	HIBF	
CN(C)CCCn1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc2c1=O	299865036	SMCCGYBGFIGZHZ-IZZDOVSWSA-N	412.877	4.080	5	1	HIBF	
CCOC(=O)[C@@H]1Nc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@H]21	254011912	JPRRSZPEJDPTKT-MZMPZRCHSA-N	406.360	4.275	5	3	HIBF	
Nc1ncc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(-c2ccccc2Cl)n1	587060318	AMGLXAYSGCRPAV-UHFFFAOYSA-N	401.213	4.484	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N1	587752312	QVPMGRJKAHTLKO-XNAIMREJSA-N	423.286	4.238	5	1	HIBF	
C[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)n1cc([N+](=O)[O-])cn1	587276282	KCDZLHOCNVCGIR-ZCFIWIBFSA-N	404.146	4.058	5	1	HIBF	
O=C1C[C@H](c2ccc(OCn3cc([N+](=O)[O-])cn3)cc2)Oc2c1ccc1c2CCCC1	587510465	ANQUZHZKHQVAHY-JOCHJYFZSA-N	419.437	4.413	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587574647	GDFTYQQCGONPQM-WMZHIEFXSA-N	419.389	4.112	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	587863296	XLMIUCOZJANCHH-UHFFFAOYSA-N	408.292	4.383	5	1	HIBF	
CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149804	GYIVVOUKMKKPMK-OWCLPIDISA-N	411.506	4.380	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Cl)nc2[nH]1	587056873	VKWXIKLIFCCTCC-CQSZACIVSA-N	408.245	4.300	5	1	HIBF	
CC(C)Oc1cc2nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c2cc1Br	587267666	OSLJOOLNHNWNPC-UHFFFAOYSA-N	422.283	4.389	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(F)cc1	587343427	SVCBDLDRLAQKCF-GMAHTHKFSA-N	405.381	4.336	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(=O)OC)cc1[N+](=O)[O-])CC2=O	587473139	QGXFLFYAEGFYNM-NRFANRHFSA-N	414.414	4.312	5	1	HIBF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)C(=O)c2c3ccccc3cc3cccc1c23	962926288	AVIJRBPASWCDCB-MHZLTWQESA-N	406.485	4.280	5	1	HIBF	
COc1ccc([C@@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)cc1F	299840489	XKBMMAGHPUDFNF-SFHVURJKSA-N	413.408	4.299	5	1	HIBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(C)(C)C)cc2[nH]1	587267134	UQNCATJQOWQLNB-BBATYDOGSA-N	413.434	4.211	5	1	HIBF	
C[C@]1(c2cccc(O)c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587338883	SROIUGBDEXOGPE-SIKLNZKXSA-N	409.369	4.419	5	1	HIBF	
CCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148161	ZJQIMFBSUMWMEN-HZPDHXFCSA-N	411.506	4.064	5	1	HIBF	
COc1cc2c(cc1OC)[C@@H](Cc1cc(=O)oc3c1ccc1ccccc13)NCC2	64499434	USKBZFNYIFZLSW-OAQYLSRUSA-N	401.462	4.393	5	1	HIBF	
O=c1cccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)n1CCOc1ccccc1Cl	587063844	AJSBYNCTLPEYID-UHFFFAOYSA-N	410.817	4.032	5	1	HIBF	
CCOC(=O)C[C@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3	587507172	AVCSTBAGSHAINH-QHCPKHFHSA-N	409.438	4.288	5	1	HIBF	
O=C(c1cc(-n2ccc3c([N+](=O)[O-])cccc32)c(O)cc1O)N1Cc2ccccc2C1	169343534	QHNRMNCQNXEHEB-UHFFFAOYSA-N	415.405	4.106	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1[N+](=O)[O-]	587076139	JTSGDRIPMZEKLX-UHFFFAOYSA-N	411.761	4.467	5	1	HIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H]1C[N+](=O)[O-]	587261341	BCKQQCXGCUJRLN-SZEHBUNVSA-N	423.313	4.261	5	1	HIBF	
C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)c1	1857750262	COWVAFPFSREMEQ-UHFFFAOYSA-N	407.433	4.054	5	1	HIBF	
O=C(N[C@@H]1CCCc2ccccc21)c1cccn2c(=O)c3cc(Cl)ccc3nc12	2957426	RHOSQJGTWXSZMV-LJQANCHMSA-N	403.869	4.309	5	1	HIBF	
O=C(CSc1snnc1-c1ccc(F)cc1F)Nc1ccccc1[N+](=O)[O-]	40413909	KKXKVAYMVYRQJX-UHFFFAOYSA-N	408.411	4.122	5	1	HIBF	
CC(C)COc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275695	FVZHUXJUAHYYIJ-SNVBAGLBSA-N	408.256	4.074	5	1	HIBF	
CC(C)COc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587277502	XHSWRMZBQFXPRV-LLVKDONJSA-N	422.283	4.269	5	1	HIBF	
O=[N+]([O-])c1ccc2c(N3CCOCC3)c(-c3ccc(Br)cc3)[nH]c2c1	587642987	ALKCUEFIVBJFFT-UHFFFAOYSA-N	402.248	4.342	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714908	GLTADZZJRYOLBN-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
O=[N+]([O-])c1ccc2c(c1)C[C@@]1(C2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21	962949091	CIQCPLIMBLBRBE-OAQYLSRUSA-N	418.415	4.259	5	1	HIBF	
N=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-])c1ccccn1	101617169	CQRLMWCFQRTESQ-SBHRATRZSA-N	401.451	4.435	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12	587126524	KYLSNYCHSJREKP-UHFFFAOYSA-N	408.174	4.174	5	1	HIBF	
O=C1COc2cc(ccc2[N+](=O)[O-])Oc2ccc(cc2Cl)C(=O)CCCCO1	36386587	GJKNHPYPMONRRW-UHFFFAOYSA-N	405.790	4.329	5	3	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cccc(OCn3ccc([N+](=O)[O-])n3)c1)CC2=O	587471450	QKMQWPYOMOYPGR-FQEVSTJZSA-N	423.425	4.192	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21	587743981	CGYUKMVJEDSILB-DYZYQPBXSA-N	409.255	4.323	5	1	HIBF	
CO[C@@H](C)COC1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1	587951635	HZXSSHAHVNYXED-UNXYVOJBSA-N	412.284	4.311	5	1	HIBF	
CCCOC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Br	40428910	LPKKMJBIDDWRJJ-UHFFFAOYSA-N	407.220	4.176	5	1	HIBF	
COc1ccc(F)c([C@H]2C3=C(COC3=O)Nc3c2c2cccnc2c2ncccc32)c1	299838998	PGUNKTAJAVKLPO-GOSISDBHSA-N	413.408	4.299	5	1	HIBF	
CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2cc1Br	587275024	QEIMTGKAWWKGDN-UHFFFAOYSA-N	408.256	4.059	5	1	HIBF	
COc1ccc(C(=O)c2ccc(CN(C)Cc3cccc([N+](=O)[O-])c3)cc2)cc1OC	40950347	QWQUTXMNDAXDHI-UHFFFAOYSA-N	420.465	4.475	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1	587268900	CYOMUMFYOVHXCK-UHFFFAOYSA-N	420.256	4.193	5	1	HIBF	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc4ncccc4c3[nH]2)CC1	587270504	KZBBRWAOZXRSSS-UHFFFAOYSA-N	401.426	4.039	5	1	HIBF	
CCCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Cc1ccccc1	13738606	YXVHFSUQPITNAN-UHFFFAOYSA-N	409.486	4.273	5	1	HIBF	
COc1ccc2c(c1)c1nn(CCN(C)C)c3cc4c(c(c13)n2C)C=CC(C)(C)O4	26578111	MNJPGPGDWSYGFI-UHFFFAOYSA-N	404.514	4.436	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc(Cl)c2[nH]1	587058014	ZHBXQPMNDUDKPE-CQSZACIVSA-N	408.245	4.300	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1	587274855	USQUIJXCTSSQBE-UHFFFAOYSA-N	422.283	4.212	5	1	HIBF	
CN1CCc2c(Br)cccc2[C@@H]1c1coc2ccc([N+](=O)[O-])cc2c1=O	963289483	OAPXFWGMDGXGNQ-GOSISDBHSA-N	415.243	4.041	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1[N+](=O)[O-]	587013501	YOBGGOYRJLHKGV-UHFFFAOYSA-N	410.209	4.143	5	1	HIBF	
COCCOc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1[N+](=O)[O-]	587265364	PKCYBRFFTZXYCM-UHFFFAOYSA-N	406.236	4.234	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O	587472531	JHTPTWJGMUMRMB-DGVDTQEHSA-N	410.470	4.497	5	1	HIBF	
CCO/C(O)=C1\C(C)=NC(=S)N(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	26579037	IXIXBYHIWIUFLB-IDTYTIONSA-N	407.448	4.048	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc([N+](=O)[O-])c2[nH]1	587057930	YFEITAUIPAIXGX-HNNXBMFYSA-N	417.809	4.160	5	1	HIBF	
COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1	587147823	SJKQYXZMEWZOBJ-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
CCOC(=O)C[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587511437	GPWYLGXJPJAONS-HSZRJFAPSA-N	409.438	4.288	5	1	HIBF	
COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cc(Cl)cc([N+](=O)[O-])c1OC	963665665	HHIIHFHTFSFTGD-PRWKNARSSA-N	406.866	4.072	5	1	HIBF	
O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1	1772598705	XHCSMKKNRLBALV-UHFFFAOYSA-N	421.497	4.038	5	1	HIBF	
O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-]	13443496	CXZLTHIWCQCTJV-UHFFFAOYSA-N	414.481	4.200	5	1	HIBF	
CC(C)COc1cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275694	FVZHUXJUAHYYIJ-JTQLQIEISA-N	408.256	4.074	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587744238	COCKJUZAPZVAOS-MLCYQJTMSA-N	408.271	4.186	5	1	HIBF	
O=[N+]([O-])c1cccc(C2=NO[C@@H](COCc3nnc(-c4ccc(Cl)cc4)o3)C2)c1	45298555	LYSGMZFVAOSCCZ-MRXNPFEDSA-N	414.805	4.008	5	1	HIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O	587944261	CXWCGHNIMQBUFJ-MEDUHNTESA-N	413.377	4.245	5	1	HIBF	
CCOC(=O)c1cc2c3cc4c(cc3ncc2c2cc(OC)c(OC)cc12)OCO4	3950275	YMYIYTVJUDJNTI-UHFFFAOYSA-N	405.406	4.464	5	1	HIBF	
NC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@H](c1ccccc1)C2	45318626	WEUREFIAMIPTHP-AWEZNQCLSA-N	421.478	4.280	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc([N+](=O)[O-])cc1)(c1cccc([N+](=O)[O-])c1)O2	587391782	YVOZALRHHAPQNS-QFIPXVFZSA-N	419.393	4.303	5	1	HIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CCOCC1	4216524	BYNFQQVUTDNTGC-RBUKOAKNSA-N	423.897	4.121	5	1	HIBF	
Cc1cc(C)cc(-c2c(OC[C@H]3CCCN(C)C3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)c1	26577836	UIBRJBGUDMZKKF-KRWDZBQOSA-N	421.497	4.441	5	1	HIBF	
CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1	82136199	UFZPFCLLMFHYHE-UHFFFAOYSA-N	419.485	4.170	5	1	HIBF	
CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148158	ZJQIMFBSUMWMEN-HOTGVXAUSA-N	411.506	4.064	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)cc2[nH]1	587265012	BPHZCMDNWYGDLV-QMMMGPOBSA-N	406.196	4.315	5	1	HIBF	
Cc1c(Br)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1C	587269090	FXFGCBUFPJSPLS-UHFFFAOYSA-N	413.235	4.098	5	1	HIBF	
CNc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587747662	PFRJUPHDWXGYHY-MGNBDDOMSA-N	408.271	4.336	5	1	HIBF	
COc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587747683	PIJDICRZRCGQCS-MGNBDDOMSA-N	409.255	4.303	5	1	HIBF	
Cc1cc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2cc1[N+](=O)[O-]	587198446	KSBBHEVYYDDZIT-UHFFFAOYSA-N	401.426	4.305	5	1	HIBF	
O=C1c2ccc(F)cc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1	143203586	YOFHXZDPFMXUSQ-OAQYLSRUSA-N	412.804	4.237	5	1	HIBF	
CC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1	587055919	RHVIQLQKKYXEDQ-SFHVURJKSA-N	414.849	4.454	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3	587110269	YDTIEMUADNBHKL-UHFFFAOYSA-N	401.247	4.402	5	1	HIBF	
O=[N+]([O-])c1cnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1	587018866	ARUDNGRHBAJEQN-UHFFFAOYSA-N	422.289	4.404	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cccc(Oc3nn(C)cc3[N+](=O)[O-])c1)CC2=O	587471503	SDRNRSWVRRFFDO-FQEVSTJZSA-N	423.425	4.485	5	1	HIBF	
Cc1[nH]nc2c1[C@@H](c1c(Cl)cccc1[N+](=O)[O-])c1c(nc3c(c1N)CCCC3)O2	1857638225	BBBBEZWTLXJLBZ-INIZCTEOSA-N	411.849	4.422	5	1	HIBF	
Cc1cc(C)cc(-c2c(OC[C@@H]3CCCN(C)C3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)c1	26577835	UIBRJBGUDMZKKF-QGZVFWFLSA-N	421.497	4.441	5	1	HIBF	
O=[N+]([O-])c1cc(F)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1	587160640	YDOKZAXNLWRQMK-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587513961	WADADWCCZCWYJT-QHCPKHFHSA-N	424.453	4.235	5	1	HIBF	
Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1857545703	WYELYHMSHOKTQQ-UHFFFAOYSA-N	405.823	4.244	5	1	HIBF	
O=C(O)c1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	58580885	BXTXCLOJDUFUOI-OUKQBFOZSA-N	413.389	4.163	5	1	HIBF	
CCCCc1nc(Cl)c([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)n1C	72113751	QNMMTNCWLGDXBY-INIZCTEOSA-N	403.870	4.022	5	1	HIBF	
COC(=O)c1cc2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2cc1OC	586980220	RZDDNNZLKXMHOG-UHFFFAOYSA-N	420.219	4.004	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587745447	HGJUTRONPQSFLA-PWJLMRLQSA-N	410.199	4.028	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12	587177585	OMSKGWKCZURRKX-UHFFFAOYSA-N	406.215	4.035	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2[N+](=O)[O-])N1	587744813	FUXZFDGVIMVKML-ADLMAVQZSA-N	409.255	4.325	5	1	HIBF	
CCOC(=O)[C@@H](CC(C)C)NC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O	73197229	WUSYRXZUXGTATO-QGZVFWFLSA-N	421.449	4.400	5	1	HIBF	
Cc1cc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1	299858864	DYHGYKOMJXXAOM-UHFFFAOYSA-N	405.458	4.242	5	1	HIBF	
CCCCOc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275277	AZOXINMUNJSTBT-LLVKDONJSA-N	422.283	4.413	5	1	HIBF	
COc1ccc2c(=O)c3cccc(CN4CCN(Cc5ccccc5)CC4)c3oc2c1	1857616411	OVPQMGNGMYAMQF-UHFFFAOYSA-N	414.505	4.273	5	1	HIBF	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135444	MVHATEHHCZBFKP-CVEARBPZSA-N	411.506	4.159	5	1	HIBF	
O=C(c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCCCC1	82135798	RXIXAMXTDVAZHT-UHFFFAOYSA-N	417.469	4.290	5	1	HIBF	
Cc1nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc3c2c(=O)n1CC(=O)O	1857635793	VNGCVJZPHFGVCU-UHFFFAOYSA-N	414.248	4.312	5	1	HIBF	
COCCOc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	587264212	DHRIHUJWWRYSGV-UHFFFAOYSA-N	406.236	4.234	5	1	HIBF	
O=C(c1c(F)cccc1I)c1coc2cc([N+](=O)[O-])ccc12	587280087	IOGUQWAFZFDGAK-UHFFFAOYSA-N	411.126	4.316	5	1	HIBF	
NCCCCNc1ccnc2c1ccc1c2ccc2c(NCCCCN)ccnc21	1857565287	XLWORBZXDNPLJQ-UHFFFAOYSA-N	402.546	4.238	5	1	HIBF	
CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1	40949315	RDHHDXHOCUPOTM-MRXNPFEDSA-N	421.240	4.168	5	1	HIBF	
COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	103173085	BHQBXNPUBXAKAL-FYJGNVAPSA-N	414.421	4.408	5	1	HIBF	
Cc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Cl	587080061	QHEWNQISSXWISA-UHFFFAOYSA-N	407.217	4.295	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)[C@@H]1c1ccc(F)cc1	587344166	WCRHRKLUOGOXQG-FYYLOGMGSA-N	421.380	4.476	5	1	HIBF	
O=C(NCCN1CCOCC1)c1cc2c3ccccc3[nH]c2c2c1[nH]c1ccccc12	1857593650	XEVUPUHYCMKBSN-UHFFFAOYSA-N	412.493	4.018	5	1	HIBF	
CCCCc1nc(Cl)c([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(C)=O)n1C	72113752	QNMMTNCWLGDXBY-MRXNPFEDSA-N	403.870	4.022	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1Nc1snc(O)c1C(=N)NCC1CCCCC1	101087871	HRWBEPZHUGPFIO-UHFFFAOYSA-N	405.480	4.004	5	1	HIBF	
CC1=C(c2ccc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1	587048691	DIIDAEIUSLNBFN-CLTKARDFSA-N	409.833	4.050	5	1	HIBF	
CC(=O)Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1c(Br)cc1n[nH]cc12	587623291	PHYCJZWNKICNSR-UHFFFAOYSA-N	415.203	4.307	5	1	HIBF	
Cc1onc(-c2nc3c(C)cc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587081024	ZMRRXECQWDPONZ-UHFFFAOYSA-N	407.217	4.295	5	1	HIBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C2CC2)CCN1C3	72113013	IGYCWQBHBXSVPM-KRWDZBQOSA-N	418.537	4.224	5	1	HIBF	
O=[N+]([O-])c1cncc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12	587019966	VBBNEBBESGKCIB-UHFFFAOYSA-N	422.289	4.404	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1	587261604	COGKZOVJPUZGQP-VIFPVBQESA-N	424.335	4.236	5	1	HIBF	
COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cc(Cl)cc([N+](=O)[O-])c1OC	963665666	HHIIHFHTFSFTGD-YBTHPKLGSA-N	406.866	4.072	5	1	HIBF	
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCCN1CCCC1)C2	473155084	PADBDYHRCWJCLV-IBGZPJMESA-N	401.510	4.446	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)O2	587376683	SXJVDACDEKQFOX-BIBXISHDSA-N	418.833	4.110	5	1	HIBF	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149135	XGEBPERFHMYZOK-JKSUJKDBSA-N	411.506	4.159	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1[N+](=O)[O-]	587017163	HLTNDWWPRKPTBN-UHFFFAOYSA-N	409.383	4.105	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1	587157084	VJEAEXZKWCFSRK-UHFFFAOYSA-N	412.402	4.078	5	1	HIBF	
COc1cc(OC)c2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1	587267560	NBZULGRSWMZPNL-UHFFFAOYSA-N	407.430	4.017	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1	587267808	RHDTZCAZDWLLDL-LLVKDONJSA-N	422.283	4.383	5	1	HIBF	
COc1c(Cc2ccccc2)cc(O)n1-c1cccc(Br)c1[N+](=O)[O-]	587937047	MRNGOJQWBVUOSU-UHFFFAOYSA-N	403.232	4.453	5	1	HIBF	
O=C(Nc1ccccc1-n1cccn1)c1cccc2c1C(=O)c1cc([N+](=O)[O-])ccc1-2	34642017	CYRDROIESXCYGW-UHFFFAOYSA-N	410.389	4.244	5	1	HIBF	
Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	586949967	JVXMCINYDLMWJK-UHFFFAOYSA-N	408.439	4.247	5	1	HIBF	
Cc1ccc(-n2ccnc2SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C)c1	586966131	GSNXKRFHYOFYPB-UHFFFAOYSA-N	424.442	4.474	5	1	HIBF	
O=[N+]([O-])c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)nn1CC(F)(F)F	587093304	ZSKJOMHOPBISFJ-UHFFFAOYSA-N	417.347	4.476	5	1	HIBF	
COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCCC(C)C)cccc3nc12	40875348	YNVFQWRFLIXGIL-WOJBJXKFSA-N	424.497	4.013	5	1	HIBF	biogenic,in-vitro
C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135666	GKBJTMBQURYDIU-IAGOWNOFSA-N	423.517	4.160	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(=O)OC)cc1[N+](=O)[O-])CC2=O	587473140	QGXFLFYAEGFYNM-OAQYLSRUSA-N	414.414	4.312	5	1	HIBF	
CCN(CC)CCn1nc2c3cc(OC)ccc3sc3c(CNC=O)ccc1c32	1891683	FFDQIRAJNIWBOT-UHFFFAOYSA-N	410.543	4.001	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c([N+](=O)[O-])cc(F)cc12	587572369	SJDIPOOLPUOVRI-PGRDOPGGSA-N	423.352	4.079	5	1	HIBF	
COc1cc(OCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)ccc1[N+](=O)[O-]	587263300	RADSLYCGLUPQLM-UHFFFAOYSA-N	403.394	4.290	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cnc3ccccc3c2[nH]1	587264856	UNSDSGKBKOIMHD-GFCCVEGCSA-N	406.398	4.371	5	1	HIBF	
COc1cccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1[N+](=O)[O-]	962713092	NUWMNZXKCRNXRA-LHSJRXKWSA-N	402.491	4.370	5	1	HIBF	
CCOC(=O)c1nc(O)c2cc3cc(Sc4ccc(OC)cc4)ccc3nc2n1	26651807	ANOSPVVVOXUERB-UHFFFAOYSA-N	407.451	4.220	5	1	HIBF	
Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C	82174468	LIHALJNOFXESAB-MRXNPFEDSA-N	411.487	4.383	5	1	HIBF	
O=[N+]([O-])c1ccccc1CSc1nnc2c(n1)[nH]c1cccc(Br)c12	205093464	KJQRYYOUOZACBV-UHFFFAOYSA-N	416.260	4.469	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(F)cnc(Br)c2[nH]1	587110055	RBDSRHLLYIEYTD-UHFFFAOYSA-N	419.132	4.377	5	1	HIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc([N+](=O)[O-])cc4)o1)[C@@H](C2)C3=O	587433056	MNXBRWQMAZPBAY-HTAPYJJXSA-N	407.378	4.264	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)N1	587748720	VXDBRRFBVGESMN-BCTVWOGZSA-N	410.199	4.028	5	1	HIBF	
COc1cccc(C(=O)c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)c1	587931281	NCTVDXIJQUNCRZ-UHFFFAOYSA-N	418.365	4.286	5	1	HIBF	
CO[C@H](C)COC1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1	587951640	HZXSSHAHVNYXED-VOMCLLRMSA-N	412.284	4.311	5	1	HIBF	
O=c1c(-c2cccc(O)c2)coc2c1c(O)cc1occ(-c3cccc(O)c3)c(=O)c12	653891186	VPLKWKVVEXXWSY-UHFFFAOYSA-N	414.369	4.350	5	1	HIBF	
CC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21	587746306	JMPNZNNAFZUOCV-NSPYISDASA-N	421.266	4.253	5	1	HIBF	
COc1ccc2c(c1)[C@](C)(COc1c([N+](=O)[O-])ccc(F)c1F)N(C(C)C)CC2	962094927	URGSEMLXBZHUDO-NRFANRHFSA-N	406.429	4.442	5	1	HIBF	
O=C(c1cc(I)ccc1F)c1coc2cc([N+](=O)[O-])ccc12	587280015	GMPCTZZEHUPASB-UHFFFAOYSA-N	411.126	4.316	5	1	HIBF	
O=C(CSCc1nc2cccc([N+](=O)[O-])c2[nH]1)Nc1ccc(C(F)(F)F)cc1	587112656	BIZBSUOOERSKMK-UHFFFAOYSA-N	410.377	4.362	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1[N+](=O)[O-]	587135381	YSNZGJBGHMLSOA-OWOJBTEDSA-N	400.219	4.245	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587267348	JFEWGHGSHYOUKL-SSDOTTSWSA-N	418.173	4.367	5	1	HIBF	
CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587577576	SWSLFYGQVBYWHN-PGRDOPGGSA-N	407.378	4.271	5	1	HIBF	
O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)cc1	653843483	FRZAAVRSZVEFQO-UHFFFAOYSA-N	419.400	4.222	5	1	HIBF	
Cc1onc(-c2nc3cc(OC(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079881	ORSTVDBURXHIMY-UHFFFAOYSA-N	416.825	4.120	5	1	HIBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587341467	YVJFNJDVRVWQAI-GGAORHGYSA-N	423.396	4.340	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587749065	WWAYCGRRXCBWBS-VVVCHXIZSA-N	424.226	4.202	5	1	HIBF	
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(Cl)cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1O	1857622009	QOECGWDTKGYQCH-BPTRZWJQSA-N	417.893	4.309	5	1	HIBF	
COc1cc2c3c(c1)O[C@@]1(c4ccccc4Oc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O	587431521	GBKTZZWDSLJSHC-GAJHUEQPSA-N	401.374	4.400	5	1	HIBF	
CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149835	BITCDIKQJXGTFZ-HNNXBMFYSA-N	405.458	4.192	5	1	HIBF	
Cc1cc2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2cc1[N+](=O)[O-]	587258232	BPCMDVIAMUQCKM-KRWDZBQOSA-N	403.442	4.351	5	1	HIBF	
Cc1cc(C)cc(-c2c(OC[C@@H]3CCCN(C)C3)c3ccc([N+](=O)[O-])cc3[nH]c2=O)c1	26579352	FFBZPYTZFNIKPI-QGZVFWFLSA-N	421.497	4.441	5	1	HIBF	
O=[N+]([O-])c1ccccc1N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1	64549963	JTMLJKIXHOMLQN-UHFFFAOYSA-N	411.893	4.031	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587412061	HBWVCPOMNHWTGI-IFXJQAMLSA-N	418.243	4.115	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(F)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587424930	YBKVWIIQEDUUQV-SBUREZEXSA-N	405.381	4.434	5	1	HIBF	
CCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C	1857630261	PBMXZMWSHNTUPQ-UHFFFAOYSA-N	423.476	4.382	5	1	HIBF	
O=[N+]([O-])c1ccc(CN2CCN([C@H](c3ccccc3)[C@H](O)c3ccccc3)CC2)cc1	169326381	SBUDQVKTHCUTGI-JWQCQUIFSA-N	417.509	4.187	5	1	HIBF	
C[N+]1(C[C@@H]2c3ccccc3CCN2C(=O)[C@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209466800	HAGVWJUFTQHNFW-XZOQPEGZSA-N	423.964	4.376	5	1	HIBF	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82214762	DZFQJUDFPGERKC-OXJNMPFZSA-N	423.517	4.351	5	1	HIBF	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(O)CCCC2=N1	103995397	SXCFPTBHIGTZMZ-OXJNMPFZSA-N	412.442	4.125	5	1	HIBF	
Cc1cc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2cc1[N+](=O)[O-]	586922734	ZCXWYQDJSHLDQX-UHFFFAOYSA-N	407.451	4.420	5	1	HIBF	
O=C(/C=C\c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1	587166963	LEYZAHGHKRSKEU-FPLPWBNLSA-N	405.183	4.025	5	1	HIBF	
N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1	587270852	RYGZBPRZWPJBEH-NSHDSACASA-N	400.744	4.266	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCCC[C@H]3[C@H]2c2ccc(F)cc2)cc1	43073179	XFOUOFOWLDRRLI-IEBWSBKVSA-N	403.435	4.026	5	1	HIBF	
CCCN1Cc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)[C@H](O)C1	72317691	NTGZMPFFXZSJLH-LJQANCHMSA-N	411.498	4.286	5	1	HIBF	
CC1(C)CC(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC(C)(C)N1[O]	101268965	BLEMTGOPFZBBEV-PKNBQFBNSA-N	412.466	4.351	5	1	HIBF	
CCOC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(ccc3oc4ccccc4c32)oc1=O	73197230	WUSYRXZUXGTATO-KRWDZBQOSA-N	421.449	4.400	5	1	HIBF	
CCCCN(CCCC)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82086295	XFOYNEPLOHZHND-UHFFFAOYSA-N	404.536	4.350	5	1	HIBF	
C[C@H](NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)Nc1ccccc1O2)c1ccccc1	103299711	PQPYOKWTCVJFGW-ZDUSSCGKSA-N	411.439	4.484	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21	587750394	HXLKZIXDNIIBMZ-APBUJDDRSA-N	421.266	4.229	5	1	HIBF	
O=[N+]([O-])c1ccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(F)c1	962960547	RVXRTLUTLMPFIK-GOSISDBHSA-N	410.367	4.494	5	1	HIBF	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2C1	587035466	WUCUKMZPRNFULM-UHFFFAOYSA-N	400.460	4.493	5	1	HIBF	
N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587175152	RCLSIVUTOPBFFA-GFCCVEGCSA-N	418.226	4.097	5	1	HIBF	
Cc1cccc(NC(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1C	587239875	ZNGJIIQQVNWKLC-UHFFFAOYSA-N	403.236	4.032	5	1	HIBF	
Nc1ccccc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1CN1C(=O)c2ccccc2C1=O	587648822	MBXRIBFWVMIPEZ-UHFFFAOYSA-N	412.405	4.122	5	1	HIBF	
COc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587747632	PBGDWSWNXTZAJX-NSPYISDASA-N	423.282	4.497	5	1	HIBF	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149145	XGEBPERFHMYZOK-CVEARBPZSA-N	411.506	4.159	5	1	HIBF	
Cc1cc(N(C)Cc2nc3cc(Br)cc(F)c3[nH]2)c([N+](=O)[O-])cc1F	587136700	JGGRNNUIAXAAPX-UHFFFAOYSA-N	411.206	4.457	5	1	HIBF	
CC(C)CCOc1cc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c2cc1Br	587267724	FATDTCYEHKKSCN-UHFFFAOYSA-N	420.267	4.303	5	1	HIBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587341681	KNVWZYFQQGFKNT-GMAHTHKFSA-N	421.380	4.283	5	1	HIBF	
CC(C)(C)C(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	653840671	CZBFJYFTCWQNFQ-LJQANCHMSA-N	410.474	4.058	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2ccccc2[N+](=O)[O-])N1	587746503	KFOXBTPCBNAEOT-BBATYDOGSA-N	409.255	4.325	5	1	HIBF	
CN(CCc1ccccc1)C(=O)c1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1	61958593	PCJUBXIIOHQWSW-UHFFFAOYSA-N	417.465	4.091	5	3	HIBF	
COc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)Nc2ccccc2O3)cc1	103299682	SCKQENJWIXQRDT-UHFFFAOYSA-N	413.411	4.254	5	1	HIBF	
CCCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC)C(C)=N1	169723421	JNFKJKFQCOKNLJ-RTBURBONSA-N	416.474	4.340	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587419669	HSKHVWRFFWJUNO-LIRRHRJNSA-N	407.344	4.371	5	1	HIBF	
CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc([N+](=O)[O-])c12	587648727	KIERWXPPZANOMG-ZDUSSCGKSA-N	417.462	4.367	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1	587342182	LZLHSQGSEGDPRU-GGAORHGYSA-N	421.380	4.476	5	1	HIBF	
CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3cc([N+](=O)[O-])ccc23)n1	587645165	YIDWYVQSTVUFDO-UHFFFAOYSA-N	411.805	4.154	5	1	HIBF	
COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587744359	DKBFJIYBXYOURS-XTZNXHDOSA-N	409.255	4.303	5	1	HIBF	
CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135443	MVHATEHHCZBFKP-HZPDHXFCSA-N	411.506	4.159	5	1	HIBF	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82148172	OUZURHHODJPLJA-JXFKEZNVSA-N	423.517	4.351	5	1	HIBF	
N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(Br)cc1F	587143179	ZNBSGYIXSPTUTG-NSHDSACASA-N	413.634	4.269	5	1	HIBF	
C[C@@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587330936	CJAVBKLKOMUCFI-IRLDBZIGSA-N	408.385	4.296	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587574645	GDFTYQQCGONPQM-AUSIDOKSSA-N	419.389	4.112	5	1	HIBF	
CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CCOCC1	4216519	BYNFQQVUTDNTGC-RTBURBONSA-N	423.897	4.121	5	1	HIBF	
O=[N+]([O-])c1cc(N[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)ccc1CO	1857775183	GWOFSCGQHZVQSA-GOSISDBHSA-N	409.408	4.182	5	1	HIBF	
COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C(=O)N(C)C	1633391	SPHVROZECOQNIP-UHFFFAOYSA-N	410.470	4.072	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OC(F)(F)F)cc2[nH]1	587265494	FSXFUODZLOANRR-QMMMGPOBSA-N	411.296	4.451	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587744239	COCKJUZAPZVAOS-XTZNXHDOSA-N	408.271	4.186	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	587240820	XJIJASASHYWWIW-FQWGINHLSA-N	416.478	4.026	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c([N+](=O)[O-])cccc12	587577276	RQSKNQQELVFWAF-PGRDOPGGSA-N	402.362	4.485	5	1	HIBF	
C[N+](C)(CCCCc1ccc(Cc2ccccc2)cc1)CCCCS(=O)(=O)O	26575665	HVHDNYJFOGCZTO-UHFFFAOYSA-O	404.596	4.345	5	1	HIBF	
CCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135538	VJBBRZDDJMCNJX-HZPDHXFCSA-N	411.506	4.382	5	1	HIBF	
C=CC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1C	209735088	JMVDIGHUQAXWIE-UHFFFAOYSA-N	421.460	4.362	5	1	HIBF	
COc1cc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1[N+](=O)[O-]	587263118	MRUXTDFXMHVWHH-UHFFFAOYSA-N	418.278	4.108	5	1	HIBF	
Cc1c(CN2CCCc3ccccc32)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O	72176227	WESGMYJDLRPKGI-UHFFFAOYSA-N	422.510	4.232	5	1	HIBF	
Cc1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1[N+](=O)[O-]	586998664	NQICXLWBYHRKQZ-IHWYPQMZSA-N	402.204	4.441	5	1	HIBF	
C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	27553471	JUJMXNOTAKANCC-SNVBAGLBSA-N	412.229	4.409	5	1	HIBF	
CSC1=N[C@H]2C(=C(C)N1)C(=O)OCCCCCSc1ccc([N+](=O)[O-])cc12	137872642	WTBAXIPIIAVCBJ-MRXNPFEDSA-N	407.517	4.051	5	1	HIBF	
COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587575365	JQNXCQDNLUTEDX-AVRDEDQJSA-N	407.378	4.186	5	1	HIBF	
CN1c2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2C(C)(C)[C@H](O)C1(C)C	1911584692	JELUUMCTXREGIT-SFHVURJKSA-N	414.531	4.271	5	1	HIBF	
CCOc1cc2c3cc(OC)c(OC)cc3c[n+](C)c2c2cc(OC)c(OC)cc12	6411211	IIATUSCNYYSFNW-UHFFFAOYSA-N	408.474	4.404	5	1	HIBF	
CN(C)CCN1C(=O)c2c(NC(=O)C(C)(C)C)ccc3cc4ccccc4c(c23)C1=O	27555330	SSEQDOQSBRYJED-UHFFFAOYSA-N	417.509	4.135	5	1	HIBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1[C@H]3NC(C)=O	73310973	VFXMTGVFMDSEDX-SQJMNOBHSA-N	420.509	4.174	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc([N+](=O)[O-])cc4OC)o1)[C@@H](C2)C3=O	587434786	ZQEOMKWEEVJSOS-NYHFZMIOSA-N	407.378	4.361	5	1	HIBF	
O=C(CCCn1c2ccccc2c2nc3ccccc3nc21)NCCN1CCCCC1	1772604766	CROCAAHSTJQEBJ-UHFFFAOYSA-N	415.541	4.120	5	1	HIBF	
C[N+]1(Cc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	34802128	KVBKUXNXDGXGGR-SUHMBNCMSA-O	412.557	4.375	5	1	HIBF	
COc1cc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1[N+](=O)[O-]	587261574	DVOOHUVWVDBXKS-UHFFFAOYSA-N	401.382	4.155	5	1	HIBF	
CCN(CC)CCN1C(=O)c2cc(OC)cc3c2c1cc1cc(OC)c(O)c(OC)c13	27105977	VEJROUVLTHBXOL-UHFFFAOYSA-N	424.497	4.026	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587574648	GDFTYQQCGONPQM-XXBNENTESA-N	419.389	4.112	5	1	HIBF	
COc1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)c1	221035397	RSEZPLVLZBQJEE-UHFFFAOYSA-N	404.429	4.322	5	1	HIBF	
Cn1c([N+](=O)[O-])cnc1[C@H](O)c1cc(Cl)cc(C2C3CC4CC(C3)CC2C4)c1O	29477551	QOECGWDTKGYQCH-CDHIVISHSA-N	417.893	4.309	5	1	HIBF	
O=[N+]([O-])c1ccc(Oc2ccc([C@@H]3NCCc4ccc(O)cc43)cc2)c([N+](=O)[O-])c1	963340814	ILMKDWKJAUAUSM-NRFANRHFSA-N	407.382	4.236	5	1	HIBF	
CCCN1Cc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)[C@@H](O)C1	72317692	NTGZMPFFXZSJLH-IBGZPJMESA-N	411.498	4.286	5	1	HIBF	
COc1ccc(N=c2[nH]c3ccc([N+](=O)[O-])cc3nc2Nc2cccc(O)c2)cc1	1857553161	LYJOCQCWJCKNDJ-UHFFFAOYSA-N	403.398	4.161	5	1	HIBF	
COC(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1OC	586980372	WNWFOWLUJLRDPN-UHFFFAOYSA-N	420.219	4.004	5	1	HIBF	
CC(C)(C)OC(=O)N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	587239813	ONIQKZIMNTWNGK-LSWYUMSHSA-N	416.478	4.026	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(OC(F)(F)F)c2[nH]1	587266851	POTDQIOCXLSUQS-QMMMGPOBSA-N	411.296	4.451	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])O2	587383860	WTLUJWOHNNDINF-SFHVURJKSA-N	410.348	4.351	5	1	HIBF	
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCCN1CCCCC1	40938999	RBLXYMDAQRGACF-UHFFFAOYSA-N	424.501	4.026	5	1	HIBF	
C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587342897	QIRRJECCIURWEM-NFBKMPQASA-N	421.380	4.440	5	1	HIBF	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135441	MVHATEHHCZBFKP-HOTGVXAUSA-N	411.506	4.159	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587743988	CIGMKXNOOQLMKX-MLCYQJTMSA-N	407.239	4.129	5	1	HIBF	
COc1ccc2c(=O)c3cccc(CN4CCN(c5ccccc5)CC4)c3oc2c1	1857589002	VFGOPMGXHAXMDO-UHFFFAOYSA-N	400.478	4.277	5	1	HIBF	
NCCCc1cc2c(-c3cccc(O)c3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12	16052489	BUSJQQYKXHYDNN-UHFFFAOYSA-N	410.477	4.335	5	1	HIBF	in-vitro
O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)cc3)cc1)C2	72124761	YSRBYUPOJRDUNJ-INIZCTEOSA-N	405.332	4.317	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1	82135595	TWPYTTJYWRSHNA-CYBMUJFWSA-N	409.446	4.094	5	1	HIBF	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82214867	NAHTXVMYAKAKNA-IAGOWNOFSA-N	423.517	4.160	5	1	HIBF	
NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587069774	KFRVAGOXDVZTPU-SNVBAGLBSA-N	409.671	4.172	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82135747	JNYSRKXKWZPCEV-HRCADAONSA-N	411.506	4.062	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(O)c([N+](=O)[O-])c1)CC2=O	587455487	CIGIWJIVUCGXAL-MRXNPFEDSA-N	422.231	4.428	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCN(CC[C@@H](O)c3ccc(F)c4ccccc34)CC2)cc1	1857634660	RRTLCHBGYQMCKP-HSZRJFAPSA-N	409.461	4.133	5	1	HIBF	
COC(=O)[C@H](CCCC(C)C)[C@H](O)c1cccc2nc3c(C(=O)O)cccc3nc12	2356807091	WCWSXTPPVMTNQV-IIBYNOLFSA-N	410.470	4.130	5	1	HIBF	
C[N+]1(C[C@@H]2c3ccccc3CCN2C(=O)[C@@H]2CC(=O)c3ccc(Cl)cc32)CCCC1	209466737	HAGVWJUFTQHNFW-DHIUTWEWSA-N	423.964	4.376	5	1	HIBF	
O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)nc1C(F)(F)F	587118109	KBWYYKCDQOCZDG-UHFFFAOYSA-N	422.754	4.450	5	1	HIBF	
COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1OC	587573469	BZMTXSMHMLBGPO-GHTZIAJQSA-N	423.377	4.021	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749648	FBGVVDDVGXITNC-NIVTXAMTSA-N	423.238	4.023	5	1	HIBF	
CC[C@H](C)COc1cc([N+](=O)[O-])c([C@@H]2c3ccsc3CCN2C(N)=O)cc1OC	962701535	BLZSODRERPZMLY-BUXKBTBVSA-N	419.503	4.116	5	1	HIBF	
CCCCOc1ccc([N+](=O)[O-])cc1[C@@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21	963634549	KIKDZTBUHLTMIG-PEBXRYMYSA-N	400.475	4.415	5	1	HIBF	
CC(C)(C)c1noc(-c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)N[C@@H]1CCCC[C@H]1O	775609	IATKJXJQZTWSJL-UKRRQHHQSA-N	421.881	4.234	5	1	HIBF	
Cc1onc(-c2nc3c4c(ccc3[nH]2)CCCC4)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080423	VCHPAAWEHNLTJD-UHFFFAOYSA-N	412.837	4.212	5	1	HIBF	
COc1ccc2c(=O)c3c(OC)cc(OC)c(-c4cccc(C=O)c4)c3oc2c1OC	96933377	QFJQPFTUFCTQLG-UHFFFAOYSA-N	420.417	4.460	5	1	HIBF	
CC(=O)c1c(OCc2cn([C@H]3C[C@@H]4CC[C@H](C3)[N+]4(C)C)nn2)ccc2ccccc12	100597457	BUBYZNFTXXPLCS-MZADTFQBSA-N	405.522	4.155	5	1	HIBF	
Cc1ccc(NCC[C@]2(c3cccc([N+](=O)[O-])c3)c3c(cnn3C)CCN2C)cc1C	963956347	XBAQVFFIHCJZFX-DEOSSOPVSA-N	419.529	4.179	5	1	HIBF	
O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1csc2ccc(F)cc12	71295284	JHDXCMZBAOMJEI-UHFFFAOYSA-N	413.474	4.344	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21	587743979	CGYUKMVJEDSILB-BMLIUANNSA-N	409.255	4.323	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587751136	KZIMGHPPFKEUKJ-MGNBDDOMSA-N	405.223	4.180	5	1	HIBF	
CCCn1c(C(C)(C)C)cc(C(=O)N[C@H](CC(=O)O)c2ccccc2[N+](=O)[O-])c1C	299858102	QKBGNKYRVAGQBM-QGZVFWFLSA-N	415.490	4.358	5	1	HIBF	
Cc1c(Br)cnc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12	587267018	SAKJCFROMOGAQM-QMMMGPOBSA-N	421.211	4.018	5	1	HIBF	
C[C@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587512486	YFTALBVNWAKTDA-XMMPIXPASA-N	422.481	4.191	5	1	HIBF	
COc1ccc(-c2nc3ccccc3c(=Nc3ccc(O)c([N+](=O)[O-])c3)[nH]2)cc1OC	1857744958	ZSTHOJTUHRHLBS-UHFFFAOYSA-N	418.409	4.093	5	1	HIBF	
CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccc(Cl)cc1	28395088	JKKSJLZXYHYFQK-UHFFFAOYSA-N	416.777	4.186	5	1	HIBF	
O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1ccccc1[N+](=O)[O-]	29062548	SGQWLVLTMUGAHO-UHFFFAOYSA-N	401.466	4.448	5	1	HIBF	
Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2-c2ccccc2)c1[N+](=O)[O-]	40763285	MBFWPNOHZYZNBS-UHFFFAOYSA-N	400.442	4.182	5	1	HIBF	
CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587341680	KNVWZYFQQGFKNT-GGAORHGYSA-N	421.380	4.283	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587723624	YCCUIUKNECERKI-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(Cl)cc(C2C3C[C@H]4C[C@@H](C3)C[C@@H]2C4)c1O	1857622010	QOECGWDTKGYQCH-STMQIEDPSA-N	417.893	4.309	5	1	HIBF	
O=C(CSCc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1	1857751648	LMUGCHKQTRDNNO-UHFFFAOYSA-N	406.261	4.350	5	1	HIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc([N+](=O)[O-])c1	587869453	KFRZBLUYUPUPIL-UHFFFAOYSA-N	423.376	4.126	5	1	HIBF	
O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)cc1)c1ccccc1F	1857588888	BBJOAGISDYJWNB-UHFFFAOYSA-N	419.372	4.379	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3ncccc3c2[nH]1	587263249	KWUDDYQKXKZLIF-LBPRGKRZSA-N	406.398	4.371	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(C[N+](=O)[O-])[C@H]1c1ccc(F)cc1	587341446	YQUWZAHNTOJWJU-JTHBVZDNSA-N	407.397	4.148	5	1	HIBF	
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCNCC2)cc1[N+](=O)[O-]	13863811	RCJLHHUGMJBOQG-CSKARUKUSA-N	411.527	4.314	5	1	HIBF	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)cc2c1Nc1ccccc1O2	103299698	IPBRDWPQLNODQT-UHFFFAOYSA-N	401.375	4.384	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccc([N+](=O)[O-])cc12	587577915	UULJRGMZFZUZHE-SIKLNZKXSA-N	403.346	4.064	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	587751424	MHCAYQLENPPVGD-DGIBIBHMSA-N	421.266	4.229	5	1	HIBF	
CN1CCN(c2ccc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3c2)CC1	587264570	ICUUYGWBWNUPKC-UHFFFAOYSA-N	403.442	4.150	5	1	HIBF	
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)c1coc2cc([N+](=O)[O-])ccc12	587280073	IIAUIKWUZYYJEP-UHFFFAOYSA-N	407.831	4.431	5	1	HIBF	
COC(=O)c1c(-c2cccc(I)c2)[nH]c2cc([N+](=O)[O-])ccc12	587645864	MWUBSQNSSDPERZ-UHFFFAOYSA-N	422.178	4.134	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1	82135598	TWPYTTJYWRSHNA-ZDUSSCGKSA-N	409.446	4.094	5	1	HIBF	
C[N@+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	261129643	KVBKUXNXDGXGGR-FYBSXPHGSA-O	412.557	4.375	5	1	HIBF	
CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	82148302	YOFPJIPKACRYCZ-UHFFFAOYSA-N	405.458	4.194	5	1	HIBF	
CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82214887	ZSLHVDZJIDYNJE-OWCLPIDISA-N	411.506	4.380	5	1	HIBF	
O=C(S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1	263621286	YMGUTVDFHHFZIJ-UHFFFAOYSA-N	407.403	4.430	5	1	HIBF	in-vitro
C[C@H]1CN(c2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])C[C@@H](C)O1	13235407	XVCLOYOIVUAIEU-CALCHBBNSA-N	419.485	4.200	5	1	HIBF	
COCC[N+]1(C)CCC(CCC(=O)c2cc3cc(OC)c(OC)cc3s2)CC1	13818041	HNRGYIMKAVPBFM-UHFFFAOYSA-N	406.568	4.384	5	1	HIBF	
CCCCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	169723498	XEIJPGDIMONFNA-QUCCMNQESA-N	416.474	4.340	5	1	HIBF	
CCN(Cc1ccccc1)c1ncc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-]	299858387	RCNRQAZCAFHDJQ-UHFFFAOYSA-N	406.442	4.277	5	1	HIBF	
CC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	587747502	OOGNIFSCTWRQTG-NSPYISDASA-N	421.266	4.253	5	1	HIBF	
O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccc([N+](=O)[O-])cc4)c3O)c2)n1	587938615	ZLOGYTPQBFPFKG-UHFFFAOYSA-N	417.377	4.224	5	1	HIBF	
O=C(Nc1nc2cc(F)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1	653755715	WVZVDUGLGFNHPB-AKAXFMLLSA-N	412.421	4.060	5	1	HIBF	
Cc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc([N+](=O)[O-])cc2)cc1	6522486	GNYSRDQBHRCGQH-UHFFFAOYSA-N	412.470	4.342	5	1	HIBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1	587159228	NMSPTAJXXIKYID-UHFFFAOYSA-N	406.242	4.238	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1	587269871	SAYHGAZISOBSEZ-UHFFFAOYSA-N	403.236	4.206	5	1	HIBF	
Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NCCN2CCCC2)c1Cl	1772642398	FEYNTWWQARYCSA-UHFFFAOYSA-N	420.872	4.456	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3nn(C)cc3[N+](=O)[O-])cc1)CC2=O	587470865	MRRWWICCCGLXNO-FQEVSTJZSA-N	423.425	4.485	5	1	HIBF	
CC1CCN(C(=O)c2cnc(NC3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135569	QJRFRXWRKJDXNV-UHFFFAOYSA-N	409.490	4.278	5	1	HIBF	
CN(C)CCOc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1	587269965	KDHIFIDVOYYNBB-UHFFFAOYSA-N	403.442	4.141	5	1	HIBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccccc1[N+](=O)[O-]	587660899	JIFWNNBIBISSQW-UHFFFAOYSA-N	420.425	4.356	5	1	HIBF	
O=C1C[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1	653730453	FRTKIWWVUGQOJQ-QTJGBDASSA-N	420.440	4.434	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1[N+](=O)[O-])CC2=O	587468914	FJEGIHGESZOFRK-JOCHJYFZSA-N	413.426	4.067	5	1	HIBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1	587262357	QAMHVHKEKZTKSJ-UHFFFAOYSA-N	421.207	4.072	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587744337	DFQUZPMWVLGAJA-MGNBDDOMSA-N	407.239	4.129	5	1	HIBF	
C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1	34804399	SIVZKOVNOSRKRL-UHFFFAOYSA-O	418.355	4.457	5	1	HIBF	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1	82134633	DZFQJUDFPGERKC-JXFKEZNVSA-N	423.517	4.351	5	1	HIBF	
Cc1nnc(O)c2c1c1cc(Br)ccc1n2Cc1ccc([N+](=O)[O-])cc1	84731326	VYXSEDGNHNNIIJ-UHFFFAOYSA-N	413.231	4.318	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	587426486	CFMSXYCNGGBCDT-CVDCTZTESA-N	405.381	4.434	5	1	HIBF	
COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587578734	XGQXKIOLRGDBAU-UGKGYDQZSA-N	407.378	4.186	5	1	HIBF	
Cc1ccc(C2=NOC3=c4ccccc4=CSC3=C2c2ccc([N+](=O)[O-])cc2)cc1	6522487	JAXAFIVGWYKQHK-UHFFFAOYSA-N	412.470	4.342	5	1	HIBF	
COc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747180	MVYYZRJBARIILU-YPMLDQLKSA-N	409.255	4.303	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(=O)O)cc1)(c1ccc([N+](=O)[O-])cc1)O2	587388494	DADFVTYHFRLHCT-HSZRJFAPSA-N	418.405	4.093	5	1	HIBF	
CC(C)[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587512974	QRAMIBLCAKNIRG-XMMPIXPASA-N	422.481	4.264	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587748466	UXKAGJJZSIMLMR-YPMLDQLKSA-N	408.271	4.186	5	1	HIBF	
COc1ccc(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]c2=Nc2ccc(F)cc2)cc1	1857547925	BCUIKOBBWAQMET-UHFFFAOYSA-N	405.389	4.017	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c([N+](=O)[O-])cc(F)cc12	587572368	SJDIPOOLPUOVRI-GCJKJVERSA-N	423.352	4.079	5	1	HIBF	
CSc1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1	587079968	PZVLBSUIOQTGFI-UHFFFAOYSA-N	404.839	4.055	5	1	HIBF	
Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C)c1[N+](=O)[O-]	587266865	BOXNOAIVMDMIHL-UHFFFAOYSA-N	416.363	4.414	5	1	HIBF	
COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-]	587746082	IYOCILYSOZZSMN-YPMLDQLKSA-N	409.255	4.303	5	1	HIBF	
CN(C)CCN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3cc4ccccc4cc23)C1=O	28476495	YKTZNAGKGMBIMN-UHFFFAOYSA-N	423.472	4.491	5	1	HIBF	
Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(Br)cc1[N+](=O)[O-]	586980394	WWNLJSJZPDROEH-UHFFFAOYSA-N	401.220	4.094	5	1	HIBF	
O=C1C[C@H](c2ccc(OCn3ccc([N+](=O)[O-])n3)cc2)Oc2c1ccc1c2CCCC1	587512204	LZAOXSQAINUIES-OAQYLSRUSA-N	419.437	4.413	5	1	HIBF	
CC(C)(C)OC(=O)N1O[C@H]2CC[C@H]1C21CCN(c2ccc([N+](=O)[O-])cc2F)CC1	102991339	AZWODWZPINLTHK-IRXDYDNUSA-N	407.442	4.034	5	1	HIBF	
C[C@@]1(c2cc(N)ccc2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587330939	CJAVBKLKOMUCFI-UNMCSNQZSA-N	408.385	4.296	5	1	HIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1	1772604606	KYDBABCTUXJUFW-UHFFFAOYSA-N	411.849	4.151	5	1	HIBF	
O=c1c(O)c(-c2ccccc2)oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c12	64540765	WHSGHXKZXSYQMK-UHFFFAOYSA-N	405.362	4.358	5	1	HIBF	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2cccc([N+](=O)[O-])c2)C1	82135439	MVHATEHHCZBFKP-JKSUJKDBSA-N	411.506	4.159	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12	586966132	GTJREGXMXLVJKV-UHFFFAOYSA-N	406.471	4.281	5	1	HIBF	
COC[C@@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587341471	YVJFNJDVRVWQAI-GMAHTHKFSA-N	423.396	4.340	5	1	HIBF	
Cc1cc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1[N+](=O)[O-]	38148311	NNCUTKRPVGFZOO-UHFFFAOYSA-N	417.378	4.325	5	3	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3ccc(CO)cc3)cc2)c([N+](=O)[O-])cc1OC	653716998	GHBOMCBWSLWZMV-NRFANRHFSA-N	409.438	4.047	5	1	HIBF	
O=C(Nc1ccccc1-c1nnn(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1	1772593484	MKOUUDKLBOFZRM-UHFFFAOYSA-N	420.816	4.143	5	1	HIBF	
Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)sc1C	82163613	NZOJGXHLZYIPDC-INIZCTEOSA-N	411.487	4.383	5	1	HIBF	
O=[N+]([O-])c1cc(-c2nc3cnnc(O)c3[nH]2)ccc1Sc1nc2ccccc2s1	587039587	ZDJYYXSAVRPYHQ-UHFFFAOYSA-N	422.451	4.395	5	1	HIBF	
C/C(=C(/c1ccc(N)cc1)c1ccc(NCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1772573557	VJRVGNMDZPKEME-HZHRSRAPSA-N	402.454	4.053	5	1	HIBF	
COc1ccc2c(c1OC)[C@H]([C@@H](C)[N+](=O)[O-])N(C)c1c-2ccc2cc3c(cc12)OCO3	1857758623	VGMMXPJBSCKJIA-GTJPDFRWSA-N	422.437	4.409	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(C[N+](=O)[O-])[C@@H]1c1ccc(F)cc1	587341441	YQUWZAHNTOJWJU-GGAORHGYSA-N	407.397	4.148	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(Cc3cccc([N+](=O)[O-])c3C2)[C@H]1c1ccc(F)cc1	587342769	PROVPUAWCWNQIT-JTHBVZDNSA-N	405.381	4.336	5	1	HIBF	
C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CCCC1OCCO1	587646695	HKSKLXQUXCFLBZ-ZDUSSCGKSA-N	419.478	4.357	5	1	HIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ncccn4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587449197	BLIUEJLGYYYUDB-XOBRGWDASA-N	421.434	4.033	5	1	HIBF	
O=[N+]([O-])c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1	586984106	HNUKWERLPDLPTD-QGZVFWFLSA-N	401.264	4.419	5	1	HIBF	
COc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587746791	LFBGNSPIHPGIDH-WYRIXSBYSA-N	423.282	4.497	5	1	HIBF	
CC(=O)Nc1ccc([C@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)cc1[N+](=O)[O-]	962374608	LKOLMUAPNGMKNU-DEOSSOPVSA-N	419.456	4.438	5	1	HIBF	
CCOC(=O)[C@@](Cc1ccccc1)(Nc1ccccc1)[C@@H](O)c1ccc([N+](=O)[O-])cc1	206047346	YHDJSVYPJOUDKC-UPVQGACJSA-N	420.465	4.285	5	3	HIBF	
Cc1ccc2c(c1)[C@@](O)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O	143298741	GMIADEARVTWWFB-QFIPXVFZSA-N	408.841	4.406	5	1	HIBF	
Cc1c(-c2nc3c(Br)ccnc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979957	LFLHSZGHTDKHCF-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587720092	MNLUGZJXOLUVJB-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
CNc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587574374	FZYPNPFQVIZFLT-UGKGYDQZSA-N	406.394	4.219	5	1	HIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])ccc1O	587865932	PSVZEGMGFUTKOE-UHFFFAOYSA-N	421.331	4.270	5	1	HIBF	
CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	1857534455	WMJIPXQZDRJYIX-UHFFFAOYSA-N	417.801	4.419	5	1	HIBF	
COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1cccc([N+](=O)[O-])c1)[C@@H](C2)C3=O	587430908	CITKQUNQTLLDTB-GBXCKJPGSA-N	401.418	4.489	5	1	HIBF	
CCOC(=O)[C@@H]1Nc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[C@H]2c3ccccc3C[C@H]12	15952387	JPRRSZPEJDPTKT-QANKJYHBSA-N	406.360	4.275	5	3	HIBF	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1	587114284	YKUUIADGZZJPHG-GOSISDBHSA-N	406.364	4.198	5	1	HIBF	
CCCCN(CCCC)CCNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82086342	XNQCGBLMJAAJBW-UHFFFAOYSA-N	404.536	4.350	5	1	HIBF	
Cc1nc(-c2cnc(NC[C@@H]3CCCO3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C	82174464	LIHALJNOFXESAB-INIZCTEOSA-N	411.487	4.383	5	1	HIBF	
Cc1cccc(NC(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1C	587238933	IRXBEHRNCSDYIV-UHFFFAOYSA-N	403.236	4.032	5	1	HIBF	
COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-]	587576292	NYIYTBWSMNDWSI-KNQAVFIVSA-N	407.378	4.186	5	1	HIBF	
O=[N+]([O-])c1ccc(N2CCC(NCC[C@H](O)c3ccccc3)CC2)c(C(F)(F)F)c1	1857746104	PIZXTQAFUTVGHV-FQEVSTJZSA-N	423.435	4.296	5	1	HIBF	
O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1	40585105	CSJBPSQOOWBUDQ-NRFANRHFSA-N	420.465	4.262	5	1	HIBF	
CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc([N+](=O)[O-])c1	103277249	CUPAHRJIDKZOPC-UHFFFAOYSA-N	403.398	4.249	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587712948	ATSDWXRXCUTNGB-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587712968	ATSDWXRXCUTNGB-VGDKGRGNSA-N	401.182	4.398	5	1	HIBF	
CN(C)CCCn1c2ccccc2c2nc3ccccc3c(N3CCN(C)CC3)c21	95579808	XGHXXRRQFLZEJA-UHFFFAOYSA-N	401.558	4.046	5	1	HIBF	
C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CCCC1OCCO1	587647328	VYFYLBGJJIYWOX-ZDUSSCGKSA-N	419.478	4.357	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587747695	RFSJJNXQGKJAKR-VPTHRUTESA-N	410.199	4.028	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587754040	XNISVGMPPQJUDN-XTZNXHDOSA-N	407.239	4.057	5	1	HIBF	
CCCc1[nH]nc2c1[C@H](c1cccc([N+](=O)[O-])c1)c1c(nc3c(c1N)CCCC3)O2	1772656869	DALNRIBHJKCQKM-KRWDZBQOSA-N	405.458	4.412	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc([N+](=O)[O-])c1O)CC2=O	587457562	KKDUNJZZIYFSQY-MRXNPFEDSA-N	422.231	4.428	5	1	HIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587573792	DBVFEENIQSPZHA-AVRDEDQJSA-N	423.377	4.021	5	1	HIBF	
COc1cc([N+](=O)[O-])c(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577359	RYQBRWZXZGSGPK-KNQAVFIVSA-N	423.377	4.021	5	1	HIBF	
Nc1ccccc1-c1[nH]c2cccc([N+](=O)[O-])c2c1CN1C(=O)c2ccccc2C1=O	587648737	KNYGIXRVLXWPBH-UHFFFAOYSA-N	412.405	4.122	5	1	HIBF	
COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1	587938704	ZBUBXZUGYDVJIJ-FVMDXXJSSA-N	406.236	4.079	5	1	HIBF	
CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1	61958589	NAURNOYXJKKPJG-UHFFFAOYSA-N	417.465	4.091	5	3	HIBF	
COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587578732	XGQXKIOLRGDBAU-KNQAVFIVSA-N	407.378	4.186	5	1	HIBF	
Cc1ccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	38148310	WBMOKROBRKIHSU-UHFFFAOYSA-N	417.378	4.325	5	3	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587720088	MNLUGZJXOLUVJB-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
COc1cc(CCn2c3ccccc3c(=O)c3c(O)cccc32)cc(OC)c1OC	64559846	JLKGPTACBDCCDV-UHFFFAOYSA-N	405.450	4.129	5	1	HIBF	
O=C1c2cc(F)ccc2[C@@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1	143247492	ZWWURYINJDJYNV-NRFANRHFSA-N	412.804	4.237	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3cn[nH]c3cc2[nH]1	587053414	FACFGVSSLRDIEN-QGZVFWFLSA-N	412.837	4.128	5	1	HIBF	
Cc1cc(C(=O)c2ccc3c(cnn3-c3ccc(C(=O)O)cc3)c2)c([N+](=O)[O-])cc1C	1857598510	OVXZTLKKLDTOPW-UHFFFAOYSA-N	415.405	4.480	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1	82149918	BPWDSPAVXPYHNH-JYJNAYRXSA-N	411.506	4.062	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@@H]2CCCC[C@H]21	587027923	ULBXQOWSDSLZBF-XKQJLSEDSA-N	411.487	4.003	5	1	HIBF	
COC(=O)c1c(-c2cccc(I)c2)[nH]c2cccc([N+](=O)[O-])c12	587645982	PNKNBCITBYSUEB-UHFFFAOYSA-N	422.178	4.134	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1[N+](=O)[O-]	587862768	IFXHZQWBURTCHW-UHFFFAOYSA-N	421.331	4.205	5	1	HIBF	
O=C(Nc1ccccc1Oc1ccc(C(=O)O)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1	12504111	NAQUAVBNIYTIIS-UHFFFAOYSA-N	422.349	4.036	5	1	HIBF	in-vivo
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	587266974	CZZJOBQJIGGLRY-ZETCQYMHSA-N	418.173	4.367	5	1	HIBF	
COC(=O)[C@]12CCCN1Cc1c(c3cc(OC)c(OC)cc3c3cc(OC)ccc13)C2	95604144	GFPPJUGFQCBBKI-RUZDIDTESA-N	421.493	4.083	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C[C@@H]2CCCC[C@@H]21	587027517	RNOPQVKCRFSJLP-BPUTZDHNSA-N	411.487	4.003	5	1	HIBF	
C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587332224	FPTUEMSYEMNLDQ-UNMCSNQZSA-N	408.385	4.296	5	1	HIBF	
N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587174329	HJLHIHBDWAVYTF-LBPRGKRZSA-N	418.226	4.097	5	1	HIBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(C)(C)C)c2[nH]1	587266265	KCERCVCDOQWEQB-GTNSWQLSSA-N	413.434	4.211	5	1	HIBF	
O=C(Cc1ccccc1[N+](=O)[O-])n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587657364	UUVDBCZEOVYOPW-UHFFFAOYSA-N	421.359	4.133	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(Cc2ccccc2)CC1	84669325	SPMWPYDKIGTXPN-UHFFFAOYSA-N	404.561	4.073	5	1	HIBF	
Cc1c(-c2nc3cc(Br)ncc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979734	JVCDEAJVQCVTJL-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1	587268013	VRGSVTIITKCQJA-SNVBAGLBSA-N	408.256	4.135	5	1	HIBF	
CNc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587745288	HEKUUJUFLCELDF-MLCYQJTMSA-N	408.271	4.336	5	1	HIBF	
C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1	13863188	ACYVYIPIGCJVSC-JTQLQIEISA-N	412.229	4.409	5	1	HIBF	
Cc1ccc(-n2cnnc2SCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1Cl	586967603	BQMDFNIPEWUSMR-UHFFFAOYSA-N	400.851	4.306	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(Cl)cc1	169321817	DQQZRPVDWCWBJK-OQLXKQOESA-N	419.868	4.261	5	1	HIBF	
CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587573411	BPOGROZIBBGCRQ-KNQAVFIVSA-N	406.394	4.069	5	1	HIBF	
O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12	45375307	XVIDNUUVVPFZIU-UHFFFAOYSA-N	420.812	4.409	5	1	HIBF	
Cc1ccccc1-c1ccc2nc(CS(=O)(=O)c3ccccc3)c([N+](=O)[O-])n2c1	96939375	YQEWFQUIBBRQBD-UHFFFAOYSA-N	407.451	4.192	5	1	HIBF	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	587069767	KFRVAGOXDVZTPU-JTQLQIEISA-N	409.671	4.172	5	1	HIBF	
O=[N+]([O-])c1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c([N+](=O)[O-])c1	587265542	VVRQCUJIZBRDCP-UHFFFAOYSA-N	400.354	4.067	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587747692	RFSJJNXQGKJAKR-BCTVWOGZSA-N	410.199	4.028	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587751140	KZIMGHPPFKEUKJ-XTZNXHDOSA-N	405.223	4.180	5	1	HIBF	
c1ccc2c(CNCCCCNCCCCN3CCNCC3)c3ccccc3cc2c1	40781889	MCUHIXYHQVDEFH-UHFFFAOYSA-N	418.629	4.138	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)c(F)cc2[nH]1	587264532	HNIUWRLCYKOMHE-ZETCQYMHSA-N	424.186	4.454	5	1	HIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587274265	OVUGEBWMNDNKGU-SSDOTTSWSA-N	418.173	4.253	5	1	HIBF	
O=C(O)c1cccc2c1CCN[C@@H]2c1cc([N+](=O)[O-])ccc1OCc1cccc(F)c1	963130115	IGDZGGREPZYQAW-QFIPXVFZSA-N	422.412	4.246	5	1	HIBF	
O=c1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl	587056523	NLYZTZKCDFYYGQ-UHFFFAOYSA-N	416.224	4.050	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587751426	MHCAYQLENPPVGD-OVWNDWIMSA-N	421.266	4.229	5	1	HIBF	
O=C(OC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1)c1ccccc1[N+](=O)[O-]	1857608530	LKKTVGAHPCITKC-UHFFFAOYSA-N	413.386	4.001	5	1	HIBF	
COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(F)cc1)c1ccc(F)cc1F	66098362	SXBMZBAKFLKBJS-KRWDZBQOSA-N	407.348	4.175	5	1	HIBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3ccccc3cc2[nH]1	587266027	IPRVKBABXJISFW-NSPYISDASA-N	407.386	4.067	5	1	HIBF	
C[C@@]1(COc2ccccc2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587578799	XQUICKCIIICOKC-KNQAVFIVSA-N	407.378	4.100	5	1	HIBF	
COc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747178	MVYYZRJBARIILU-MLCYQJTMSA-N	409.255	4.303	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587754039	XNISVGMPPQJUDN-MLCYQJTMSA-N	407.239	4.057	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1	82149649	VTNWUXXLDGOPEG-CYBMUJFWSA-N	409.446	4.094	5	1	HIBF	
O=C(NCC1CC1)c1cnc(NCC2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82216909	NOHUEIDSEMLOCY-UHFFFAOYSA-N	409.490	4.184	5	1	HIBF	
Cc1cccc2c1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)[C@]2(O)c1ccc(Cl)cc1	143089133	WBYUHAACXZNOQH-QFIPXVFZSA-N	408.841	4.406	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12	586912126	FFJLKKWZKVLYIV-UHFFFAOYSA-N	418.247	4.036	5	1	HIBF	
O=C(Cc1ccsc1)N1[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C[C@H]2CCCC[C@H]21	587027925	ULBXQOWSDSLZBF-XYPHTWIQSA-N	411.487	4.003	5	1	HIBF	
Cc1cc(N(C)Cc2nc3ccc(F)c(Br)c3[nH]2)c([N+](=O)[O-])cc1F	587137356	WMJDIOSOERSYFB-UHFFFAOYSA-N	411.206	4.457	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc([N+](=O)[O-])c1)CC2=O	587468680	CNPPOYUZPUDGKP-QFIPXVFZSA-N	413.426	4.067	5	1	HIBF	
CC1=Nc2nc3ccccc3n2[C@@H](c2ccco2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	169724308	PPOWHZRYXUCWMA-UXHICEINSA-N	415.409	4.488	5	1	HIBF	
Cc1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1[N+](=O)[O-]	587002655	LXPAKXWEIQLXKM-UHFFFAOYSA-N	400.236	4.134	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1	587860336	REPWGTSIEGLQMD-UHFFFAOYSA-N	424.244	4.009	5	1	HIBF	
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C[N+](C)(C)C)cc1	40822265	PIJANTJONDAQTF-HSZRJFAPSA-O	424.565	4.156	5	1	HIBF	
O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc([N+](=O)[O-])cc3)C2)cc1	95587298	SJZRBGHYARKVLM-BGYRXZFFSA-N	412.490	4.189	5	1	HIBF	
CC(C)=CCC/C(=C/Cc1cc2oc(=O)c3c(O)ccc(O)c3c2cc1O)C(=O)O	1772637865	JYWLHVGMXAJIBK-MLPAPPSSSA-N	410.422	4.363	5	1	HIBF	
C[C@](O)(COC(=O)c1ccccc1)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1	34801515	FOLWOILDBKOYKZ-SFHVURJKSA-N	408.332	4.159	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)s1)C2	45255317	XXOPEPOYFUTNEW-ZDUSSCGKSA-N	423.397	4.099	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](O)[C@H]1CCCCN1C3	73294754	QMKFMAIEWFWSKC-CLOONOSVSA-N	423.509	4.429	5	1	HIBF	
CCCCOc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-]	963634085	JAORKPVDEPLXIA-FPTDNZKUSA-N	400.475	4.415	5	1	HIBF	
Cc1cc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc2c(C)n1	587054370	KFFMUOHGQXNTPO-MRXNPFEDSA-N	401.854	4.263	5	1	HIBF	
Cc1c(Cc2c(F)cccc2F)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O	13677581	VQRIRMQKLXOJEO-UHFFFAOYSA-N	403.410	4.148	5	1	HIBF	
O=c1oc2cc(OCCN3CCN(Cc4ccccc4)CC3)ccc2c2ccccc12	224332271	NHTLSLIZIOTGBZ-UHFFFAOYSA-N	414.505	4.143	5	1	HIBF	
COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C2)C3=O	587432783	LTEVLDRXVWXXBU-JLHGSKIFSA-N	424.409	4.356	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc([N+](=O)[O-])cc32)N1	587750550	IQIHVSLMVPDETQ-XTZNXHDOSA-N	407.239	4.057	5	1	HIBF	
CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135803	ZSLHVDZJIDYNJE-JYJNAYRXSA-N	411.506	4.380	5	1	HIBF	
CCCCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@H](C)Cc2c(OC)ccc(OC)c21	963634547	KIKDZTBUHLTMIG-JLCFBVMHSA-N	400.475	4.415	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)nn2)c1	587269716	MVXDPADLRSCBTJ-UHFFFAOYSA-N	419.626	4.135	5	1	HIBF	
CC[C@@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc([N+](=O)[O-])c2)n1	82135802	ZSLHVDZJIDYNJE-HRCADAONSA-N	411.506	4.380	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c1)O2	587388632	DWZPSKBKZQTQTF-HXUWFJFHSA-N	420.421	4.477	5	1	HIBF	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1	587875541	QGKSBEDZWJFWIJ-UHFFFAOYSA-N	419.372	3.945	5	1	HIBF	
C[N+](C)(C)c1ccc(CC(=O)OCCCCn2ccc3cc([N+](=O)[O-])ccc32)cc1	13524856	SXJBLJOCQYWFIY-UHFFFAOYSA-N	410.494	4.312	5	1	HIBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccc(F)c(F)c2)cc1	13584403	OKVZSXCONRVRAJ-UHFFFAOYSA-N	413.409	4.353	5	1	HIBF	
CCN(C)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc([N+](=O)[O-])c1	82214915	ACSSNNFZHCELMN-UHFFFAOYSA-N	419.485	4.107	5	1	HIBF	
CCc1ccc([C@@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1	587430771	BRXLTEXJJIJBKU-JPYJTQIMSA-N	405.406	4.450	5	1	HIBF	
COc1ccc2c(c1OC)[C@@H]([C@H](C)[N+](=O)[O-])N(C)c1c-2ccc2cc3c(cc12)OCO3	1857758624	VGMMXPJBSCKJIA-LAJNKCICSA-N	422.437	4.409	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	587038533	ADFSDFJGLXTPCN-DZGCQCFKSA-N	419.304	4.180	5	1	HIBF	
Nc1ncnc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc12	587038941	VJKWDSLFLBTEHF-UHFFFAOYSA-N	421.467	4.271	5	1	HIBF	
CCOc1ccccc1[C@@](N)(c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(F)(F)F	587091339	DCIKSZKZYMFSFL-MRXNPFEDSA-N	414.771	4.288	5	1	HIBF	
Ic1cncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	587186072	ZOBMFWLRJSKERC-UHFFFAOYSA-N	423.217	4.326	5	1	HIBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587661934	UBUYZCITFGRZJF-UHFFFAOYSA-N	404.357	4.191	5	1	HIBF	
COc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(I)c1	587180700	XEVFKGNNJAUJHX-UHFFFAOYSA-N	409.183	4.060	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1	587267855	SKYLZSCYQLXYHF-SSDOTTSWSA-N	418.173	4.367	5	1	HIBF	
C[C@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)NCCc2c(Cl)cc(Cl)cc21	963114235	SLWLQUKXIHIJMG-LJQANCHMSA-N	409.269	4.396	5	1	HIBF	
COc1ccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2c1	587118960	SMXKGDMRWLRHPH-UHFFFAOYSA-N	417.347	4.410	5	1	HIBF	
C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82148179	OUZURHHODJPLJA-OXJNMPFZSA-N	423.517	4.351	5	1	HIBF	
O=C(/C=C/c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Nc1ccc(F)cc1	587167111	MPPZAJMMUCYDLZ-AATRIKPKSA-N	405.183	4.025	5	1	HIBF	
COCCOc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587265201	MLZHBRPQLWEIMV-UHFFFAOYSA-N	406.236	4.234	5	1	HIBF	
CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1	587946278	UITAQHWQEUTYDY-OAHLLOKOSA-N	416.453	4.305	5	1	HIBF	
O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1ccccc1F	1857542670	KXHWTFUTLQWKBZ-UHFFFAOYSA-N	419.372	4.379	5	1	HIBF	
C[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587276051	ILMOGXCDBFWXFB-LURJTMIESA-N	404.146	4.058	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12	587038538	ADFSDFJGLXTPCN-ZFWWWQNUSA-N	419.304	4.180	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)O2	587376689	SXJVDACDEKQFOX-PRWKNARSSA-N	418.833	4.110	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587413317	MRFVBURSBLZBSX-UGSOOPFHSA-N	404.216	4.029	5	1	HIBF	
CCCCNC[C@@H](O)COc1cc(OCCCC)c2c(=O)c3ccccc3oc2c1	1772601879	HJLRIAVOXWIBLN-QGZVFWFLSA-N	413.514	4.255	5	1	HIBF	
O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c21	27090468	VBCUCKNTKJMFBX-NSHDSACASA-N	402.328	4.368	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12	587164994	HTLPEXSIHHVXCD-UHFFFAOYSA-N	416.210	4.285	5	1	HIBF	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)NCCc1c(Cl)cc(Cl)cc12	963120495	IVNLZVDVQMOTIU-UHFFFAOYSA-N	420.296	4.179	5	1	HIBF	
CCCCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	49088432	KDHIMAMSNLLFIM-HXUWFJFHSA-N	416.474	4.126	5	1	HIBF	
COCCNc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)cc1[N+](=O)[O-]	587262301	QKKAFYKMCTXMNP-UHFFFAOYSA-N	405.252	4.267	5	1	HIBF	
O=c1c2ccccc2n(Cc2cn(Cc3ccc(Cl)cc3)nn2)c2ccccc12	299864596	MPHFLMPWZUFVLC-UHFFFAOYSA-N	400.869	4.496	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1F	587116422	WFYKNBNRHCQLOY-UHFFFAOYSA-N	405.105	4.454	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1F	587183005	UNZRWONJOHFHQI-UHFFFAOYSA-N	401.110	4.021	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(C[N+](=O)[O-])[C@H]1c1ccc(F)cc1	587341444	YQUWZAHNTOJWJU-GMAHTHKFSA-N	407.397	4.148	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749643	FBGVVDDVGXITNC-DYBLOJMWSA-N	423.238	4.023	5	1	HIBF	
Cc1c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cccc1[N+](=O)[O-]	6506370	GODFNWPKYVGXAC-HXUWFJFHSA-N	400.438	4.493	5	3	HIBF	
O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)c1	587270908	WNRLJRDPMBHAFE-UHFFFAOYSA-N	414.194	4.497	5	1	HIBF	
CC(C)(C)OC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc2ccccc12	29226825	OEEQJRJGAGSVNX-NRFANRHFSA-N	420.465	4.431	5	1	HIBF	
CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82148273	USPIHZNYHJLQIL-UHFFFAOYSA-N	411.506	4.016	5	1	HIBF	
C[C@@]1(CC(=O)OCc2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587513423	SEYIGVUNPHRKGL-QHCPKHFHSA-N	409.438	4.331	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1	72178945	CKCCYKSNUXDCHG-RTGRKSDTSA-N	421.453	4.324	5	1	HIBF	
CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587577574	SWSLFYGQVBYWHN-AVRDEDQJSA-N	407.378	4.271	5	1	HIBF	
C[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1	587154019	BNMBMHFGXTURRI-KRWDZBQOSA-N	419.210	4.164	5	1	HIBF	
Cc1ccc([C@]2(c3ccc(C)c([N+](=O)[O-])c3)NCCc3c(C(=O)O)cccc32)cc1	963118399	CMLSZWWZGSYJBC-XMMPIXPASA-N	402.450	4.347	5	1	HIBF	
CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82148892	AVVRVNFOWULVBS-IRXDYDNUSA-N	423.517	4.303	5	1	HIBF	
Cc1nn(Cc2ccccc2-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C)c1[N+](=O)[O-]	587268017	VTKSZFQTHSRUMY-UHFFFAOYSA-N	416.363	4.414	5	1	HIBF	
COc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1[N+](=O)[O-]	587747177	MVYYZRJBARIILU-MGNBDDOMSA-N	409.255	4.303	5	1	HIBF	
CN1C(=O)C[C@@H]2CN[C@](Cc3ccccc3)(c3ccc([N+](=O)[O-])cc3)c3cccc1c32	963023866	IKCATUGSIVRKJP-IQGLISFBSA-N	413.477	4.134	5	1	HIBF	
COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C2)C3=O	587432777	LTEVLDRXVWXXBU-HOIFWPIMSA-N	424.409	4.356	5	1	HIBF	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c2oc3ccc(Br)cc3c(=O)c12	12405795	GLJNRKBGFWYYIR-UHFFFAOYSA-N	400.188	4.111	5	1	HIBF	
NC(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1	28861765	NJQYURUGBBQUIQ-GXDHUFHOSA-N	408.801	4.410	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	587038536	ADFSDFJGLXTPCN-UKRRQHHQSA-N	419.304	4.180	5	1	HIBF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cnc2[nH]1	587053171	CCGPLAZTTULGGT-CQSZACIVSA-N	408.245	4.300	5	1	HIBF	
O=[N+]([O-])c1ccc(Oc2ccc([C@H]3NCCc4ccc(O)cc43)cc2)c([N+](=O)[O-])c1	963340816	ILMKDWKJAUAUSM-OAQYLSRUSA-N	407.382	4.236	5	1	HIBF	
CS(=O)(=O)c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586924589	CLYKOXBEQOTWMW-UHFFFAOYSA-N	419.768	4.214	5	1	HIBF	
CSc1nc2c(c(=O)n1C)N=C(c1ccc([N+](=O)[O-])cc1)C[C@@H](c1ccccc1)N2	31871971	WSASOTZFWHBMOA-KRWDZBQOSA-N	421.482	4.088	5	1	HIBF	
C[C@@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	103188846	JDIUYPUNNJKDLL-CQSZACIVSA-N	406.442	4.100	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1[N+](=O)[O-]	587135382	YSNZGJBGHMLSOA-UPHRSURJSA-N	400.219	4.245	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2n2ccc([N+](=O)[O-])n2)N1	587748915	BPEUUMDLVNAGCK-OMPKRAJASA-N	423.286	4.238	5	1	HIBF	
CN(C(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1	82135189	DKVYMUATPVZUIF-UHFFFAOYSA-N	409.490	4.278	5	1	HIBF	
O=C1Nc2ccccc2[C@]12N[C@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1cccc(Cl)c1	169321836	SVJARBLVURQXCP-OQLXKQOESA-N	419.868	4.261	5	1	HIBF	
COc1cccc2oc3cc(OCCCCCCCO[N+](=O)[O-])cc(O)c3c(=O)c12	1857747762	CJQSIGMULUFJHM-UHFFFAOYSA-N	417.414	4.198	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82135748	JNYSRKXKWZPCEV-JYJNAYRXSA-N	411.506	4.062	5	1	HIBF	
O=C(O)c1nc2ccc(I)cc2c2[nH]c3c(F)cccc3c12	473109225	REHULOMJRMEOTO-UHFFFAOYSA-N	406.154	4.311	5	1	HIBF	
Nc1nc(-c2cccc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2)cs1	587021162	IPAPVURTQOSNLM-UHFFFAOYSA-N	416.260	4.606	5	1	HIBF	
C[C@@]1(c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587512484	YFTALBVNWAKTDA-DEOSSOPVSA-N	422.481	4.191	5	1	HIBF	
Cn1c([N+](=O)[O-])cnc1[C@@H](O)c1cc(Cl)cc(C2C3CC4CC(C3)CC2C4)c1O	29477547	QOECGWDTKGYQCH-HOFLUKCYSA-N	417.893	4.309	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587744342	DFQUZPMWVLGAJA-YPMLDQLKSA-N	407.239	4.129	5	1	HIBF	
O=c1cc(-c2ccccc2)oc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc12	1911573558	PPJPXHDKUYOYFM-UHFFFAOYSA-N	422.418	4.169	5	1	HIBF	
C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])c1cccc2nc3c(C(=O)O)cccc3nc12	29472274	FJIVAWFNINSKDH-LBPRGKRZSA-N	417.377	4.307	5	1	HIBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1F	587151830	UJSBAWOSQKAWOZ-UHFFFAOYSA-N	406.242	4.238	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc([N+](=O)[O-])cc2F)N1	587723626	YCCUIUKNECERKI-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
O=C(NCC1CCCCC1)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82148088	ZBXDYVVRMHVXRT-UHFFFAOYSA-N	423.517	4.352	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(-c3ncc(Br)cc3F)[nH]c12	587154950	GXJURSWODNXIHL-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
C[N+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1	34802129	KVBKUXNXDGXGGR-GOWJNXQMSA-O	412.557	4.375	5	1	HIBF	
N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587258348	HXNNNPFRDBKLDE-INIZCTEOSA-N	407.405	4.182	5	1	HIBF	
COc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587747686	PIJDICRZRCGQCS-XTZNXHDOSA-N	409.255	4.303	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C	587860412	UDDXBUGJNXINBW-UHFFFAOYSA-N	424.244	4.009	5	1	HIBF	
CCOC(=O)[C@@H]1Nc2c(cc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H]2c3ccccc3C[C@@H]21	15952389	JPRRSZPEJDPTKT-FDQGKXFDSA-N	406.360	4.275	5	3	HIBF	
CCOC(=O)c1c2c3ccc(SCCc4cnccn4)c4cccc(c-2nc1=O)c43	71294325	XTUJRWNRJGZFHG-UHFFFAOYSA-N	415.474	4.030	5	1	HIBF	
CC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21	587747504	OOGNIFSCTWRQTG-WYRIXSBYSA-N	421.266	4.253	5	1	HIBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc(-c2ccc(Br)cc2)[nH]n1	299863306	KXCKJHZDXGBYBV-XCVCLJGOSA-N	413.231	4.399	5	1	HIBF	
Cc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Cl	586928194	YZHPXPJLXMQCBC-UHFFFAOYSA-N	400.243	4.157	5	1	HIBF	
O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1cccc([N+](=O)[O-])c1	13443499	ZRARJHMTWPDSFU-UHFFFAOYSA-N	414.481	4.200	5	1	HIBF	
CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl	64415737	JCFPDDMVYKAPQE-IBGZPJMESA-N	423.860	4.440	5	1	HIBF	
COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587745614	HYSWNXDNYJTXAH-XTZNXHDOSA-N	409.255	4.303	5	1	HIBF	
CCCCOc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1[N+](=O)[O-]	963634088	JAORKPVDEPLXIA-RCDICMHDSA-N	400.475	4.415	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)ncc2-c2nc3ccccc3s2)c1	82163633	YXOPDTCLSQNZST-UHFFFAOYSA-N	419.466	4.165	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1	586920406	PJOOKZNJWLGYPR-UHFFFAOYSA-N	423.450	4.024	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1c1ccc(F)cc1	587343429	SVCBDLDRLAQKCF-JTHBVZDNSA-N	405.381	4.336	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@H](C)CC(=O)O)O2	587376687	SXJVDACDEKQFOX-GIPWTMENSA-N	418.833	4.110	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc([N+](=O)[O-])c1Cl	587546434	QQTNAWRRZPISGC-UZLBHIALSA-N	413.769	4.362	5	1	HIBF	
COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1	587784224	GAPQJOLAKZNBSS-OLZOCXBDSA-N	416.231	4.177	5	1	HIBF	
COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3	85949710	MGVIWPMJQXPEDE-HXOBKFHXSA-N	409.482	4.039	5	1	HIBF	
O=C(Sc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	169326180	TTXGVRGMPBRJBS-UHFFFAOYSA-N	406.213	4.396	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccccc1OCc1cccc(Cl)c1	473118726	LISKUZWFBOOMGW-UHFFFAOYSA-N	415.833	4.189	5	1	HIBF	
O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)o1	587265812	TZYAFFBEWCHJEZ-UHFFFAOYSA-N	404.426	4.230	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)[C@H]1c1ccc(F)cc1	587344171	WCRHRKLUOGOXQG-JTHBVZDNSA-N	421.380	4.476	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21	587750395	HXLKZIXDNIIBMZ-DGIBIBHMSA-N	421.266	4.229	5	1	HIBF	
CCCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1	49124723	XVKVIOCQZGFCJP-LJQANCHMSA-N	416.474	4.126	5	1	HIBF	
COC[C@]1(c2cccc([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587341473	YVJFNJDVRVWQAI-JTHBVZDNSA-N	423.396	4.340	5	1	HIBF	
Cc1noc(C)c1-c1ccc(C[C@@H](O)c2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1	1857643026	QHLSISDHOMDXIV-OAQYLSRUSA-N	404.426	4.328	5	1	HIBF	
CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])n2)/C1=C(/O)OCCc1ccccc1	29486389	NVOIQSTYVRNWQI-SRIJWZPRSA-N	424.413	4.085	5	1	HIBF	
CCN(C)c1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1	82136187	BQQDFQKKEPVQQR-UHFFFAOYSA-N	413.522	4.262	5	1	HIBF	
CC(C)CN(C)C(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	82134947	XXIAMGOGCILAGR-UHFFFAOYSA-N	419.485	4.392	5	1	HIBF	
Cc1nn(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)c1Br	586978768	GTFQBYUAKFSHEL-UHFFFAOYSA-N	407.275	4.283	5	1	HIBF	
O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1	962913070	QNPJKTGSFVRICX-UNMCSNQZSA-N	422.412	4.001	5	1	HIBF	
O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCN1CCCCC1)C2	473154944	NFSVGJLKFKEOBP-IBGZPJMESA-N	401.510	4.446	5	1	HIBF	
Nc1c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cnc2c(F)cccc12	587176810	STYGJDRTJXSDPH-UHFFFAOYSA-N	402.183	4.170	5	1	HIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587573793	DBVFEENIQSPZHA-GCJKJVERSA-N	423.377	4.021	5	1	HIBF	
Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Br)cc1[N+](=O)[O-]	587649456	VFPSCQWOIZCRDC-UHFFFAOYSA-N	409.261	4.218	5	1	HIBF	
O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])c3ncnc(O)c23)c1)c1ccccc1	1857563925	ZEUPGLZZYXQJIQ-UHFFFAOYSA-N	401.382	4.240	5	1	HIBF	
Cc1c(F)cccc1-c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc([N+](=O)[O-])c1	587137291	XTFILSNBWDTNRJ-UHFFFAOYSA-N	415.388	4.228	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(C(F)(F)F)cc3)c1)C2	45335262	FLNLBVVZKDKCBQ-KRWDZBQOSA-N	419.359	4.455	5	1	HIBF	
CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1c(C)nn(-c2ccccc2)c1Cl	64417039	ZXVKFLGWCJETSE-IBGZPJMESA-N	423.860	4.440	5	1	HIBF	
CCS(=O)(=O)c1cccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	586922563	WHDUCTBRRCCDII-UHFFFAOYSA-N	402.479	4.044	5	1	HIBF	
COc1cccc2c3c(cnc12)CCN[C@H]3c1coc(-c2ccc([N+](=O)[O-])cc2)n1	963049234	BIXMJOPCLHAFFG-NRFANRHFSA-N	402.410	4.042	5	1	HIBF	
COc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587747634	PBGDWSWNXTZAJX-WLRWDXFRSA-N	423.282	4.497	5	1	HIBF	
O=C1c2cc(F)ccc2[C@](O)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1	143247696	ZWWURYINJDJYNV-OAQYLSRUSA-N	412.804	4.237	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2n1ccc([N+](=O)[O-])n1	587575633	GDDMDTZNSMCKRC-LZNRXBQRSA-N	421.409	4.013	5	1	HIBF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1	587871582	KIVZCQDNYUSKKR-CQSZACIVSA-N	413.405	4.412	5	1	HIBF	
O=C(OCCn1c([N+](=O)[O-])cnc1/C=C\c1ccccc1)c1c[nH]c2ccccc12	299823381	FOVWNVSFXCQLCQ-KHPPLWFESA-N	402.410	4.300	5	1	HIBF	
Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1[N+](=O)[O-]	587656741	MDMQAJFMPLIGEN-UHFFFAOYSA-N	421.359	4.247	5	1	HIBF	
O=[N+]([O-])c1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1O	962948444	BBQDVMMXBYLAKS-SFHVURJKSA-N	408.376	4.060	5	1	HIBF	
Cc1nc(C(=O)NCCC(C)C)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1	13478208	BTBNUROQXWSCIO-FQEVSTJZSA-N	416.503	4.175	5	3	HIBF	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCNc1ccnc2cc(Cl)ccc12	95593724	LZPNHDAGYWXNNY-VMPITWQZSA-N	410.861	4.428	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(F)cc1	587343426	SVCBDLDRLAQKCF-GGAORHGYSA-N	405.381	4.336	5	1	HIBF	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(-c2ccc(N)cc2)c1O	587942900	FOTHZOCCLJTVPC-UHFFFAOYSA-N	422.210	4.256	5	1	HIBF	
CCOc1ccc2[nH]c3cc(NC(=O)c4ccc(C(=O)OC)cc4)ccc3c(=N)c2c1	1772634534	HLNWADPBSDETMP-UHFFFAOYSA-N	415.449	4.238	5	1	HIBF	
CCCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)OCC)C(C)=N1	169723420	JNFKJKFQCOKNLJ-MOPGFXCFSA-N	416.474	4.340	5	1	HIBF	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Br)ccnc2[nH]1	587108951	DLTGKPXXIFOJPK-UHFFFAOYSA-N	401.142	4.238	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc([N+](=O)[O-])c1Cl	587546432	QQTNAWRRZPISGC-OXQOHEQNSA-N	413.769	4.362	5	1	HIBF	
C[C@@H](COc1ccccc1)NC[C@H](O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1	45191008	GDLGJIDTGIHIIX-MBSDFSHPSA-N	422.481	4.264	5	1	HIBF	
O=C1C[C@@H](c2cccc(OCn3ccc([N+](=O)[O-])n3)c2)Oc2c1ccc1c2CCCC1	587512534	OTBYMMIBYBRFHF-NRFANRHFSA-N	419.437	4.413	5	1	HIBF	
C[C@]1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587574661	GFCUHDLPIWEVFS-GHTZIAJQSA-N	422.349	4.086	5	1	HIBF	
COc1cccc(OC)c1-c1ccc(C[C@H](Nc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1	13439229	XWDOZBVCTXDXCS-IBGZPJMESA-N	422.437	4.387	5	1	HIBF	
Cc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc(Br)cc1[N+](=O)[O-]	586980036	NMZKXUGMTNCAKM-UHFFFAOYSA-N	404.220	4.370	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Br)cnc3F)[nH]c12	587178030	MJMGRRBANKDYPZ-UHFFFAOYSA-N	416.004	4.197	5	1	HIBF	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587273635	JNMMLIMHMVLXAS-SSDOTTSWSA-N	418.173	4.253	5	1	HIBF	
CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	775797	GQUBIIQHUIBVAT-FZMZJTMJSA-N	423.897	4.338	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1[N+](=O)[O-])[C@@H](C2)C3=O	587419030	RIILVWCVCJBNFP-UGSOOPFHSA-N	404.216	4.029	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587743398	APQRGNDJJSIZEU-XLFHBGCDSA-N	424.226	4.202	5	1	HIBF	
C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587329845	ARFGISLIWZBPMC-IRLDBZIGSA-N	409.369	4.419	5	1	HIBF	
Cc1nc([N+](=O)[O-])cn1Cc1nn(CNc2ccc(-c3ccccc3)cc2)c(=S)o1	1857581181	FDXJDDRBWPCPSR-UHFFFAOYSA-N	422.470	4.404	5	1	HIBF	
Cc1ccc2c3c(c4c(nc13)[C@H](CC(=O)O)[C@H](C[N+](=O)[O-])[C@@H]4C)-c1ccccc1C2=O	587096542	CTXVOFQOWCRPTF-JCURWCKSSA-N	416.433	4.323	5	1	HIBF	
CCc1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCn2cc(-c3ccccc3)nn2)cc1	1857650292	MMYKLHKEAYZARN-OUKQBFOZSA-N	414.469	4.483	5	1	HIBF	
CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049904	AFLGXDXCLKSMJN-HKUYNNGSSA-N	401.850	4.256	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c([N+](=O)[O-])cc(F)cc12	587572370	SJDIPOOLPUOVRI-XMSQKQJNSA-N	423.352	4.079	5	1	HIBF	
O=[N+]([O-])c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1F	586967200	ZLZZUBDEPAWEEW-UHFFFAOYSA-N	424.461	4.420	5	1	HIBF	
COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O	587426487	CFMSXYCNGGBCDT-WMZHIEFXSA-N	405.381	4.434	5	1	HIBF	
C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1	26377581	ACYVYIPIGCJVSC-SNVBAGLBSA-N	412.229	4.409	5	1	HIBF	
Cc1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1[N+](=O)[O-]	586999508	DNCZLYZWMCQVTD-UHFFFAOYSA-N	416.187	4.021	5	1	HIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc([N+](=O)[O-])cc2s1	587869442	JXAMLECZHOYPSH-UHFFFAOYSA-N	421.360	4.480	5	1	HIBF	
CN1[C@H]2CC[C@@H]1C[C@H](O[P@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1)C2	100097637	VZXIPESVYBSJJR-NIGOPQHUSA-N	402.387	4.134	5	1	HIBF	in-vitro
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)cnc2[nH]1	587053169	CCGPLAZTTULGGT-AWEZNQCLSA-N	408.245	4.300	5	1	HIBF	
COc1cccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1[N+](=O)[O-]	962713094	NUWMNZXKCRNXRA-QKKBWIMNSA-N	402.491	4.370	5	1	HIBF	
NCCCCNCCCCNCCCNCc1c2ccccc2cc2ccccc12	13522171	XVORPIKNPSXGQK-UHFFFAOYSA-N	406.618	4.171	5	1	HIBF	
CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1Cl	103184368	PWBUKCVFLIWIDS-UHFFFAOYSA-N	414.849	4.266	5	1	HIBF	
O=C1c2ccccc2-c2cc(-c3ccc(O)c([N+](=O)[O-])c3O)nc3ccc(O)c1c23	586987700	QWJNJOSOLXOAGA-UHFFFAOYSA-N	400.346	4.138	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21	587388652	FEIWTRSYEWOIHR-UHFFFAOYSA-N	417.377	4.283	5	1	HIBF	
COc1ccc2c(c1[N+](=O)[O-])[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21	587751425	MHCAYQLENPPVGD-GIGQVBGESA-N	421.266	4.229	5	1	HIBF	
CCCc1[nH]nc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(nc3c(c1N)CCCC3)O2	1772617040	PGGDBKHDNMXVDQ-QGZVFWFLSA-N	405.458	4.412	5	1	HIBF	
CC(C)(C)OC(=O)N(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C[C@@H]1CCCO1	587195974	LJGNAUKFBSUDKL-NSHDSACASA-N	410.858	4.041	5	1	HIBF	
Cc1nn(Cc2ccccc2-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(C)c1[N+](=O)[O-]	587266987	DEJXQHGMKFDVAN-UHFFFAOYSA-N	410.365	4.047	5	1	HIBF	
O=C1COc2cc3nc(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)[nH]c3cc2N1	587271886	KPAYXCMUUXNOTN-UHFFFAOYSA-N	402.366	4.261	5	1	HIBF	
CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cc([N+](=O)[O-])ccc12	587649359	SNJOMNHVHOCQHF-UHFFFAOYSA-N	417.462	4.367	5	1	HIBF	
CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncc([N+](=O)[O-])c4[nH]3)cc2)cc1F	587147063	DKAWGUBIHONEIC-UHFFFAOYSA-N	419.416	4.013	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1F	587183313	CGDCCKQIODUNJY-SNAWJCMRSA-N	409.158	4.385	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])O2	587383850	WTLUJWOHNNDINF-GOSISDBHSA-N	410.348	4.351	5	1	HIBF	
COc1ccc(OC)c([N+](=O)[O-])c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587573794	DBVFEENIQSPZHA-PGRDOPGGSA-N	423.377	4.021	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(=O)c4ccccc4oc3nc1C)O2	587394612	IZISCROVTPPTHN-XMMPIXPASA-N	400.434	4.421	5	1	HIBF	
CC(=O)[C@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12NCCc1cc(-c3ccccc3)ccc12	962666316	LTQXBJARHOEACJ-DHLKQENFSA-N	412.445	4.053	5	1	HIBF	
O=[N+]([O-])c1cc(N[C@@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)ccc1CO	1857773349	XZAGXRUNKMJLML-QGZVFWFLSA-N	409.408	4.182	5	1	HIBF	
CC(C)N(C(=O)c1cc([N+](=O)[O-])c(-c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1)C(C)C	29462356	ZTSQRQOGNDMYAB-UHFFFAOYSA-N	415.402	4.127	5	1	HIBF	
Brc1cnc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cnn2c1	587008730	NNTYWAKSQVCPJD-UHFFFAOYSA-N	416.242	4.132	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OCc1ccc([N+](=O)[O-])cc1)CC2=O	587472117	YLPIFTDQSXIXRH-QFIPXVFZSA-N	413.426	4.110	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)N1	587749064	WWAYCGRRXCBWBS-HUTHGQBESA-N	424.226	4.202	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(F)cnc(Cl)c2[nH]1	587262280	HCTRTGGLHCJVIU-QMMMGPOBSA-N	408.773	4.010	5	1	HIBF	
O=C(OCCSc1ccc([N+](=O)[O-])c2nonc12)c1cccc(C(F)(F)F)c1	3467159	ATJFGQHWWZZPLL-UHFFFAOYSA-N	413.333	4.099	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)C(=O)N1CCC[C@H]1C3	98082566	MMNHABZSGBGAFC-ZDUSSCGKSA-N	407.466	4.188	5	1	HIBF	
CCOc1cc(CC(C)=O)c(OCC)n1-c1cccc(Br)c1[N+](=O)[O-]	587937643	UGIDCZMDLRDZCR-UHFFFAOYSA-N	411.252	4.077	5	1	HIBF	
O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[C@@H](CNCc2ccccc2[N+](=O)[O-])C1	95587797	GNYFAIKKPJTAMD-HDICACEKSA-N	412.490	4.189	5	1	HIBF	
COC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1Sc1cc(OC)c(OC)c(OC)c1	13680333	TZBXRDJFCPIERE-UHFFFAOYSA-N	418.427	4.040	5	1	HIBF	
O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1cccc([N+](=O)[O-])c1	587662213	XNSMTXAXMVDBBA-UHFFFAOYSA-N	420.425	4.356	5	1	HIBF	
O=c1c2c(O)cc(O)cc2oc2cc(O)c(-c3c(O)ccc4ccccc34)c(O)c12	72178623	GZOATUSXNQZYRY-UHFFFAOYSA-N	402.358	4.294	5	1	HIBF	
O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cs1	587019025	FGKJJVYMUCMGND-UHFFFAOYSA-N	412.406	4.302	5	1	HIBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Cl)c(Br)cnc2[nH]1	587159773	XTKUVGCHBAOFPG-UHFFFAOYSA-N	401.579	4.000	5	1	HIBF	
COc1ccccc1OCc1ccc(C(C)(C)NC(=O)c2ccc([N+](=O)[O-])o2)cc1	1857563853	JNHYBHVCOHWMFT-UHFFFAOYSA-N	410.426	4.441	5	1	HIBF	
CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CC[C@H]2CCCN2C)cc1	43152313	LCSAQCJYMFXOFN-GOSISDBHSA-N	408.502	4.418	5	1	HIBF	
COCCOc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1[N+](=O)[O-]	587264239	DYSGZPBSZKPFNE-UHFFFAOYSA-N	410.199	4.065	5	1	HIBF	
CCN(CC)CCn1c(=O)c2cc(OC)c(OC)cc2c2ccc3ncccc3c21	71280770	HVJLWLYAOQFDLJ-UHFFFAOYSA-N	405.498	4.062	5	1	HIBF	
CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(F)c([N+](=O)[O-])c3)n2C)cc1	29124654	GADPCQDWFBBPGR-ATJXCDBQSA-N	414.462	4.110	5	1	HIBF	
CC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21	587747501	OOGNIFSCTWRQTG-JEOXALJRSA-N	421.266	4.253	5	1	HIBF	
NC(=O)N1c2ccccc2C[C@@H](OC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	26574042	CRAGGPZREJQBNS-OAQYLSRUSA-N	417.421	4.195	5	1	HIBF	
NCCCc1cc2c(-c3ccc(O)cc3)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12	28956002	HYXNPTSQBHIYFJ-UHFFFAOYSA-N	410.477	4.335	5	1	HIBF	
CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1	587113606	QLMORLSTXGIHON-QGZVFWFLSA-N	410.327	4.029	5	1	HIBF	
Nc1c(C(=O)NCc2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)ccc12	1857750337	AYVUEHGQJZVWBF-UHFFFAOYSA-N	410.480	4.445	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC)c(Cl)cc2[nH]1	587265946	YNBKXEIWJKOWPH-JTQLQIEISA-N	419.821	4.484	5	1	HIBF	
CC(C)CCNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2	776284	RJPJCTBASUBVNZ-UHFFFAOYSA-N	403.435	4.052	5	1	HIBF	
CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3cccc([N+](=O)[O-])c23)n1	587644870	PDRQQSMZNCVEDN-UHFFFAOYSA-N	411.805	4.154	5	1	HIBF	
COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587577238	RBMYGOAUJYNUDM-WMZHIEFXSA-N	421.405	4.494	5	1	HIBF	
Nc1cc(-c2nnc(SCc3ccc(Br)cc3)o2)cc([N+](=O)[O-])c1	1772650712	KFUYEYRUIBRPNT-UHFFFAOYSA-N	407.249	4.282	5	1	HIBF	
CN(C)CCCNc1c2ccccc2nc2c1oc1c(OCCN(C)C)cccc12	1772657158	CFUJZDCCHYNWFY-UHFFFAOYSA-N	406.530	4.438	5	1	HIBF	
Cc1nc2cc(Nc3ccccc3[N+](=O)[O-])ccc2n1S(=O)(=O)c1ccccc1	49807529	XXHBFZCBFFZRLH-UHFFFAOYSA-N	408.439	4.234	5	1	HIBF	
CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573488	CNNAZPCOQOGBTM-XMSQKQJNSA-N	423.377	4.108	5	1	HIBF	
COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2Cl)ccc1-n1cnc(Cl)c1	103235460	YXTYKDPULMIQLB-UHFFFAOYSA-N	407.213	4.348	5	1	HIBF	
CCCCCOc1cc2nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c2cc1Br	587273256	GJYCAVCLOBZJKT-UHFFFAOYSA-N	422.283	4.356	5	1	HIBF	
C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82214865	NAHTXVMYAKAKNA-IRXDYDNUSA-N	423.517	4.160	5	1	HIBF	
C[C@]1(c2ccc([N+](=O)[O-])cc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O	138766427	JQWQHDDYUYXIIO-GOSISDBHSA-N	410.209	4.062	5	1	HIBF	
Cc1nccc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12	587118142	KUIPYIHBMKXQEA-UHFFFAOYSA-N	402.336	4.105	5	1	HIBF	
COCCOc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	587264620	GUEOAGVTTFWDJC-UHFFFAOYSA-N	410.199	4.065	5	1	HIBF	
CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587573412	BPOGROZIBBGCRQ-SIKLNZKXSA-N	406.394	4.069	5	1	HIBF	
CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573486	CNNAZPCOQOGBTM-GCJKJVERSA-N	423.377	4.108	5	1	HIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1	587946269	UITAQHWQEUTYDY-HNNXBMFYSA-N	416.453	4.305	5	1	HIBF	
CC(=O)N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1	13587477	CFRQHVDOEKHYQS-NRFANRHFSA-N	405.454	4.173	5	1	HIBF	
O=C1OCC2=C1[C@@H](c1ccc(F)c(F)c1)c1c(c3cccnc3c3ncccc13)N2	299837787	KUMJWYUELCNWFV-KRWDZBQOSA-N	401.372	4.430	5	1	HIBF	
COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-]	587747990	RESIGDJUBDVFEV-MGNBDDOMSA-N	409.255	4.303	5	1	HIBF	
C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1	82149671	GJQCDOZGUGQOCD-IAGOWNOFSA-N	423.517	4.160	5	1	HIBF	
COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cc([N+](=O)[O-])ccc4OC)o1)[C@@H](C2)C3=O	587430868	CFUXEUQZXJJWQG-OYHNWAKOSA-N	407.378	4.361	5	1	HIBF	
O=C(NC1CCN(Cc2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl	1772647457	LOGUQXGSUQJNAE-UHFFFAOYSA-N	408.285	4.296	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2ccccc2[N+](=O)[O-])N1	587744815	FUXZFDGVIMVKML-BBATYDOGSA-N	409.255	4.325	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c([N+](=O)[O-])cccc2[N+](=O)[O-])N1	587748122	UVSGCASXRCMZJR-BCTVWOGZSA-N	410.199	4.028	5	1	HIBF	
O=Cc1ccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c([N+](=O)[O-])c1	962951951	JMDJJSLQVFFVAC-LJQANCHMSA-N	420.387	4.167	5	1	HIBF	
COc1ccccc1N1CCN(Cc2cccc3c(=O)c4ccccc4oc23)CC1	1857556629	VEGRMSRQNIRESL-UHFFFAOYSA-N	400.478	4.277	5	1	HIBF	
Cc1cc(OCCCN(C)C)c2cc3c(OCCCN(C)C)cc(C)nc3c(C)c2n1	27324497	UTEQSDAHTCOELW-UHFFFAOYSA-N	424.589	4.369	5	1	HIBF	
COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1F	587056015	SCAWMNPZCHHKGO-KRWDZBQOSA-N	420.828	4.399	5	1	HIBF	
Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(O)c(-c2ccccc2)c1	587925024	DJHVAJXACDGRFF-UHFFFAOYSA-N	420.425	4.048	5	1	HIBF	
CC(C)(C)c1cccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c12	587263286	QHWGKMDWAPXMQH-UHFFFAOYSA-N	421.501	4.252	5	1	HIBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cc(F)cc(F)c2)cc1	13584405	VBUCIYFJYXNLLE-UHFFFAOYSA-N	413.409	4.353	5	1	HIBF	
C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1	82214790	DSDOIIXFJWLXGT-LIRRHRJNSA-N	409.490	4.182	5	1	HIBF	
O=[N+]([O-])c1cc(-c2nc3c(O)ncnc3[nH]2)ccc1Sc1nc2ccccc2s1	587038844	TYRDLJPTYTWBOV-UHFFFAOYSA-N	422.451	4.395	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)c(O)c([N+](=O)[O-])c1)O2	587388623	DWZPSKBKZQTQTF-FQEVSTJZSA-N	420.421	4.477	5	1	HIBF	
CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149832	BITCDIKQJXGTFZ-OAHLLOKOSA-N	405.458	4.192	5	1	HIBF	
CC1=Nc2nc3ccccc3n2[C@H](c2ccco2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	169724311	PPOWHZRYXUCWMA-VQTJNVASSA-N	415.409	4.488	5	1	HIBF	
Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc(N)c1C(=O)OC1CCCCC1	473128444	ZWZIFRXTBWGDRX-UHFFFAOYSA-N	403.460	4.289	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c([N+](=O)[O-])cc1OC	653708482	OPUSLQLRQWDHEE-HXUWFJFHSA-N	424.409	4.463	5	1	HIBF	
CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(N)cc([N+](=O)[O-])c1	587865799	JNVQLJXJANQWOE-UHFFFAOYSA-N	420.347	4.147	5	1	HIBF	
CC[C@@H](C)COc1cc([N+](=O)[O-])c([C@H]2c3ccsc3CCN2C(N)=O)cc1OC	962701539	BLZSODRERPZMLY-CWTRNNRKSA-N	419.503	4.116	5	1	HIBF	
Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2	34804392	FVKYPFKYQOEVNL-UHFFFAOYSA-O	407.534	4.165	5	1	HIBF	
COc1cccc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1OC	15936819	SBBZTSOBLCZCDA-UHFFFAOYSA-N	418.406	4.125	5	3	HIBF	
CC(=O)N1c2ccccc2S[C@@H]1c1cc([N+](=O)[O-])ccc1OCCCN(C)C	28018137	XKRIIWZFUYUSBR-HXUWFJFHSA-N	401.488	4.083	5	1	HIBF	
Cc1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)sc2c1C(=O)N1CCC=C1N2	587029627	QYWUBKMRGKNPKA-UHFFFAOYSA-N	401.835	4.274	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](C)(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC2=O	587468729	CXAULRGDAVVSRF-QFIPXVFZSA-N	415.442	4.237	5	1	HIBF	
COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-]	587578733	XGQXKIOLRGDBAU-SIKLNZKXSA-N	407.378	4.186	5	1	HIBF	
CN(CCc1ccccc1)C(=O)c1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1	61958595	GSTLUNUMCXYKDK-UHFFFAOYSA-N	417.465	4.091	5	3	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587721500	WIBUSLGMGZNWNK-HYORBCNSSA-N	401.182	4.398	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccc([N+](=O)[O-])cc32)N1	587749295	DPLIMYIFTMKYDF-YPMLDQLKSA-N	405.223	4.180	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(N)cc([N+](=O)[O-])c1	587859760	IACGNZAQEQPGOP-UHFFFAOYSA-N	421.240	4.435	5	1	HIBF	
CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1NCc1ccccc1Br	587942120	ZQJCWXXCHWKHAU-LBPRGKRZSA-N	412.284	4.129	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O	587472533	JHTPTWJGMUMRMB-HRBBJJPOSA-N	410.470	4.497	5	1	HIBF	
COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1[N+](=O)[O-]	587575385	JQNXCQDNLUTEDX-GCJKJVERSA-N	407.378	4.186	5	1	HIBF	
CNc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587745290	HEKUUJUFLCELDF-YPMLDQLKSA-N	408.271	4.336	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587748464	UXKAGJJZSIMLMR-MLCYQJTMSA-N	408.271	4.186	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)[C@@H](C2)C3=O	587422029	OVOHSDFSIJNOCK-FKIZINRSSA-N	403.818	4.237	5	1	HIBF	
CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	769334	QBIHYZHFKVQVDR-NVXWUHKLSA-N	408.241	4.082	5	1	HIBF	
CN(C)CCCn1c2ccccc2c2c3c(c4c5ccccc5cnc4c21)C(=O)NC3=O	13488705	KAXKXSIEQWCCLP-UHFFFAOYSA-N	422.488	4.331	5	1	HIBF	
Cc1cc(N2CCC(NC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c2cc(F)ccc2n1	299854836	ALVPZIJIRJHEDI-UHFFFAOYSA-N	423.448	4.381	5	1	HIBF	
CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1[N+](=O)[O-]	13832870	KPVAVVMJZZGJCM-UHFFFAOYSA-N	415.457	4.254	5	1	HIBF	
O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccccc1[N+](=O)[O-]	72119968	YZSKBLCTJBYZID-UHFFFAOYSA-N	424.269	4.213	5	1	HIBF	
O=[N+]([O-])c1cccc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)c1	1857646594	RARBVOXKWARUGB-UHFFFAOYSA-N	408.849	4.243	5	1	HIBF	
CC(C)c1ccc2nc3ccc(C(=O)NCCCCc4ccccn4)cn3c(=O)c2c1	29553864	HFEYXBVWUNYQMR-UHFFFAOYSA-N	414.509	4.119	5	1	HIBF	
CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1	82135889	PVTQDOFXHRWCBC-HNNXBMFYSA-N	405.458	4.192	5	1	HIBF	
c1ccc2c(N3CCN(CCN4CCCCC4)CC3)c3[nH]c4ccccc4c3nc2c1	95577050	SFPXBIWEWORDAX-UHFFFAOYSA-N	413.569	4.477	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12	587093172	XKAUPBAXXBMTBS-UHFFFAOYSA-N	405.130	4.384	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Br)cc1[N+](=O)[O-])O2	587377214	LSVRIBRXELKSHA-SFHVURJKSA-N	405.248	4.215	5	1	HIBF	
COc1cc(C[C@@H](O)c2ccc(-c3cccc(CO)c3)cc2)c([N+](=O)[O-])cc1OC	653714266	LYHDIVXDXSABLH-OAQYLSRUSA-N	409.438	4.047	5	1	HIBF	
CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4211879	ZQZUQZFXTCGPGU-RDJZCZTQSA-N	408.241	4.082	5	1	HIBF	
CC1(C)C=Cc2c(c(O)c3oc4cc(O)c5c(c4c(=O)c3c2O)C=CC(C)(C)O5)O1	14766827	HGYSXMOBSMWBAD-UHFFFAOYSA-N	408.406	4.431	5	1	HIBF	biogenic
CN(C(=O)c1cnc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1	82148690	MRNGFCOLDNLYFM-UHFFFAOYSA-N	409.490	4.057	5	1	HIBF	
O=C(O)c1c(=O)c2cc(F)c(N3CCSCC3)cc2n2c1sc1ccccc12	101150149	RJBWMUUNKONCQZ-UHFFFAOYSA-N	414.483	4.058	5	1	HIBF	
O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](n1ccc([N+](=O)[O-])n1)CCC3	586987899	UQFLFENVYHTSLI-INIZCTEOSA-N	412.405	4.182	5	1	HIBF	
O=[N+]([O-])c1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1F	587148482	BAXLJZKJRZMDNZ-UHFFFAOYSA-N	401.579	4.000	5	1	HIBF	
CCCCOc1cc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2cc1Br	587272875	CXWQJLANXPKCND-UHFFFAOYSA-N	422.283	4.242	5	1	HIBF	
COc1ccc(C)cc1C(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587788080	VEDMNFDSDAKWFM-UHFFFAOYSA-N	418.247	4.366	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)([C@@H](C)CC(=O)O)O2	587376693	SXJVDACDEKQFOX-YBTHPKLGSA-N	418.833	4.110	5	1	HIBF	
Cc1sc2c(c1C)CCN[C@H]2c1cc(I)cc([N+](=O)[O-])c1	963029412	UQQSVAGZRACBLA-AWEZNQCLSA-N	414.268	4.113	5	1	HIBF	
O=[N+]([O-])c1cccc(-c2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)cc2)c1	13864515	JKCAHYUMXXDADN-UHFFFAOYSA-N	420.450	4.248	5	1	HIBF	
COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCCC(C)C)cccc3nc12	40875350	YNVFQWRFLIXGIL-PMACEKPBSA-N	424.497	4.013	5	1	HIBF	biogenic,in-vitro
CCCCS(=O)(=O)N[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C	586933205	NKODIAYITKFWLN-MRXNPFEDSA-N	411.531	4.076	5	1	HIBF	
Cc1nc(COc2cccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2)cs1	587020185	GDQOKVPVSMZDCV-UHFFFAOYSA-N	411.399	4.390	5	1	HIBF	
COc1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cc1OC	587267509	LJBIBQYCRLGANX-UHFFFAOYSA-N	407.430	4.017	5	1	HIBF	
COc1ccc(CCCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC	587927034	QYRSVFKFDAHKDD-UHFFFAOYSA-N	420.263	4.426	5	1	HIBF	
COc1cc(OC)c(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1Cl	2468596	MOLTWQSIGHLFKA-DJJJIMSYSA-N	419.821	4.035	5	1	HIBF	
C[C@H]1CCc2c1nn(C)c2C(=O)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	103188848	JDIUYPUNNJKDLL-AWEZNQCLSA-N	406.442	4.100	5	1	HIBF	
O=c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12	136449348	ZVFPZURJSMVIRT-UHFFFAOYSA-N	400.316	4.284	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CC2=O	587468810	BFONJUHZQHOXKT-FQEVSTJZSA-N	407.426	4.360	5	1	HIBF	
CN(C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1	82214847	SMQWTDNDWGUDBB-UHFFFAOYSA-N	423.517	4.447	5	1	HIBF	
COC(=O)c1ccnc2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc12	587137323	ZPKJPQRPODRFEH-UHFFFAOYSA-N	406.373	4.434	5	1	HIBF	
O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-]	13757915	RBDCBLCAUZBURK-UHFFFAOYSA-N	401.422	4.440	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)O[C@H](COc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1)C2	115609005	PRVWQOCOTCCZQI-INIZCTEOSA-N	421.331	4.197	5	1	HIBF	
O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1	82192415	BUIWSHQYSVDRTI-IBGZPJMESA-N	408.483	4.004	5	1	HIBF	
O=[N+]([O-])c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1	586984105	HNUKWERLPDLPTD-KRWDZBQOSA-N	401.264	4.419	5	1	HIBF	
Cc1onc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587079442	KODUSYIWHCCYIM-UHFFFAOYSA-N	415.841	4.025	5	1	HIBF	
C[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C=C(c2ccccc2F)NO1	587154020	BNMBMHFGXTURRI-QGZVFWFLSA-N	419.210	4.164	5	1	HIBF	
COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573910	DJDGGSRXFPMWBK-OFNKIYASSA-N	421.405	4.272	5	1	HIBF	
CC(C)c1nn(C)c2c1[C@]1(NCC2)c2cc([N+](=O)[O-])ccc2-c2noc(C(C)(C)C)c21	962922257	WFNHYTPNMBYHRF-HSZRJFAPSA-N	421.501	4.155	5	1	HIBF	
Cc1cc(C)c2oc(=O)cc(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)c2c1	71340890	SLOXBRPJYRKCAS-UHFFFAOYSA-N	409.423	4.109	5	1	HIBF	
O=C(CCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(Cl)cn1	587081789	GFDZHFMMCJTBQG-UHFFFAOYSA-N	423.654	4.488	5	1	HIBF	
CCCCOc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275278	AZOXINMUNJSTBT-NSHDSACASA-N	422.283	4.413	5	1	HIBF	
CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2cccc([N+](=O)[O-])c12	587643687	INKDJBNOQNIIMV-UHFFFAOYSA-N	417.215	4.251	5	1	HIBF	
CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	1857576375	IJENTQPJHLPGMQ-FQEVSTJZSA-N	424.501	4.448	5	1	HIBF	
COc1ccc2c(c1OC)[C@H]([C@H](C)[N+](=O)[O-])N(C)c1c-2ccc2cc3c(cc12)OCO3	1857758625	VGMMXPJBSCKJIA-QKVFXAPYSA-N	422.437	4.409	5	1	HIBF	
Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587268052	WBMPIJLOVWWXMC-ZETCQYMHSA-N	418.173	4.367	5	1	HIBF	
COc1cc(F)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-]	962714753	SVEKREUCMFPOLM-ODXCJYRJSA-N	406.454	4.335	5	1	HIBF	
O=[N+]([O-])c1ccc2c(c1)C[C@]1(C2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21	962949088	CIQCPLIMBLBRBE-NRFANRHFSA-N	418.415	4.259	5	1	HIBF	
CC[C@H](C)Nc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1	82149813	GYIVVOUKMKKPMK-JYJNAYRXSA-N	411.506	4.380	5	1	HIBF	
Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)Nc1ccc([N+](=O)[O-])cc1	587623670	YSDLREKIYFUDDK-UHFFFAOYSA-N	414.219	4.276	5	1	HIBF	
Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cccc1[N+](=O)[O-]	587656284	INUQDGJDWBLJOD-UHFFFAOYSA-N	421.359	4.247	5	1	HIBF	
O=[N+]([O-])c1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1[N+](=O)[O-]	587006683	QOPCFUKJFNBMHO-UHFFFAOYSA-N	402.164	4.062	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1cccc([N+](=O)[O-])c1	587862487	BKSGQTRSEFUISL-UHFFFAOYSA-N	420.347	4.238	5	1	HIBF	
CC(C)(C)CC(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	1857576376	IJENTQPJHLPGMQ-HXUWFJFHSA-N	424.501	4.448	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(-c3ccc4c(c3)OCO4)c(-c3ccc4c(c3)OCO4)nc2c1	71281218	MFTWUSHIGHMZMT-UHFFFAOYSA-N	415.361	4.329	5	1	HIBF	
COc1cc(/C=C/c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Br	586977748	RKMBMBATGVMLPB-HWKANZROSA-N	419.191	4.321	5	1	HIBF	
Clc1nccnc1N1CCC(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1	587085476	VZTDKGMKBUMEEZ-UHFFFAOYSA-N	415.888	4.487	5	1	HIBF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc([N+](=O)[O-])cc2)(C2CCNCC2)N1	962948741	OMKDJUQHINZKFL-UUOWRZLLSA-N	404.514	4.244	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1	587263267	LBLBGGPOFVBJGW-VIFPVBQESA-N	424.335	4.236	5	1	HIBF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccccc1[N+](=O)[O-]	587870007	XIDRADNAEQLZGD-UHFFFAOYSA-N	423.376	4.126	5	1	HIBF	
CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)C1	82135291	INTPJXCCVGRPNU-SJORKVTESA-N	423.517	4.303	5	1	HIBF	
O=[N+]([O-])c1cccnc1NCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1	587269635	XJLVARZDMDCLOQ-UHFFFAOYSA-N	416.157	4.260	5	1	HIBF	
CC1=Nc2nc3ccccc3n2[C@@H](c2ccco2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	169724310	PPOWHZRYXUCWMA-PMACEKPBSA-N	415.409	4.488	5	1	HIBF	
C[C@@]1(C(=O)c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587342898	QIRRJECCIURWEM-NZQKXSOJSA-N	421.380	4.440	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N(C)C)N1	587748463	UXKAGJJZSIMLMR-MGNBDDOMSA-N	408.271	4.186	5	1	HIBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCC2)c([N+](=O)[O-])cc1OC	775528	VIVZQDFDEPEBMA-UHFFFAOYSA-N	417.462	4.237	5	1	HIBF	
CCCCCNc1cc(C(=O)O)nc2c(CCC)c3oc(C(=O)O)cc(=O)c3cc12	29237605	ANRULMFKZMXFFW-UHFFFAOYSA-N	412.442	4.292	5	1	HIBF	
CCN(CC)CCn1c2ccccc2c(=O)c2cc3ncn(-c4ccccc4)c3nc21	474609838	VZZIYBJCMFMCNX-UHFFFAOYSA-N	411.509	4.230	5	1	HIBF	
CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586963377	MCSLYPFRCXJKML-NSHDSACASA-N	424.280	4.281	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1cccc(OCn3cc([N+](=O)[O-])cn3)c1)CC2=O	587469357	CZDDGYATHZKYMA-NRFANRHFSA-N	423.425	4.192	5	1	HIBF	
CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3	587512252	MOOCAFYUGWADJA-HSZRJFAPSA-N	409.438	4.288	5	1	HIBF	
COc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1	587746790	LFBGNSPIHPGIDH-WLRWDXFRSA-N	423.282	4.497	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=C3CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1	1857611361	RZMRICLCHNGISZ-FUHWJXTLSA-N	405.863	4.150	5	1	HIBF	
CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	772807	ZQZUQZFXTCGPGU-WBVHZDCISA-N	408.241	4.082	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@H](O)CN(C(C)C)C3	72317693	YSLRPHYTKSVLGN-LJQANCHMSA-N	411.498	4.285	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587712965	ATSDWXRXCUTNGB-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587748587	ABWRNHGUIGAOEV-MLCYQJTMSA-N	407.239	4.057	5	1	HIBF	
O=C(Oc1ccc(Cl)cc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	3197106	WJZFKNNXTZQHQN-UHFFFAOYSA-N	422.780	4.268	5	1	HIBF	
COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])cc1OC	587573478	CEFGCHSVNIWISK-KNQAVFIVSA-N	423.377	4.021	5	1	HIBF	
COc1ccc(N=c2[nH]c(-c3ccccc3)nc3ccc([N+](=O)[O-])cc23)cc1OC	1857745851	RHEXYQCYUCRENR-UHFFFAOYSA-N	402.410	4.388	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2cccc3c2n1C[C@H](CO)C3	14945614	AYNWBTZPYNOUOG-CYBMUJFWSA-N	406.441	4.149	5	1	HIBF	
CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2C1	587033981	KZGDCTLGQNCGSP-UHFFFAOYSA-N	400.460	4.493	5	1	HIBF	
CN(C)Cc1ccc(CSCCNc2nnc(-c3ccccc3)cc2[N+](=O)[O-])o1	1772611294	PPRJNDSOOQGJSQ-UHFFFAOYSA-N	413.503	4.052	5	1	HIBF	
CN(CCc1ccccc1)C(=O)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	61958590	GFKFZSQBIXTMTP-UHFFFAOYSA-N	417.465	4.091	5	3	HIBF	
O=C1c2cccnc2N(c2ccc(F)cc2)CN1c1nc2ccc([N+](=O)[O-])cc2s1	103238100	PKHILTIJPJLQAF-UHFFFAOYSA-N	421.413	4.495	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12	587091995	QEDQSGXOVDOITF-UHFFFAOYSA-N	417.141	4.237	5	1	HIBF	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c(F)c2)c1	587148031	YFXIYBLGXYZDFD-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12	587075794	KNPFVNOTKFTWTO-UHFFFAOYSA-N	419.626	4.135	5	1	HIBF	
C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-]	587104816	KALJRNITRPUSJV-IUIKQTSFSA-N	402.406	4.015	5	1	HIBF	
O=C1CC=C(c2nc3cc4nc5ccccc5nc4cc3[nH]2)NN1Cc1ccc(F)cc1	587164635	UNIXRTKJMHFULD-UHFFFAOYSA-N	424.439	4.076	5	1	HIBF	
COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-]	587744357	DKBFJIYBXYOURS-MGNBDDOMSA-N	409.255	4.303	5	1	HIBF	
CC(C)(C)c1cccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12	586926994	RKPCQYNFSWSEQC-UHFFFAOYSA-N	407.879	4.493	5	1	HIBF	
CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587577577	SWSLFYGQVBYWHN-XMSQKQJNSA-N	407.378	4.271	5	1	HIBF	
Cc1cc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2cc1[N+](=O)[O-]	587063931	FCJOJXWWTVYJFJ-UHFFFAOYSA-N	424.844	4.341	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(C)c([N+](=O)[O-])c1)CC2=O	587472534	JHTPTWJGMUMRMB-RGPPVUSESA-N	410.470	4.497	5	1	HIBF	
O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12	1857579408	UIYJADNOJJZFPV-UHFFFAOYSA-N	400.316	4.284	5	1	HIBF	
O=C(c1cc(Br)cc([N+](=O)[O-])c1)n1nc2cc1Oc1ccc(F)cc1-2	587872584	OSRSHICRVXFBCA-UHFFFAOYSA-N	404.151	4.154	5	1	HIBF	
COc1ccc2cc(C(=O)NCCCn3ccnc3)c3cc(OC)c(OC)cc3c2c1	1857585319	JJBFDDOXFRHMHZ-UHFFFAOYSA-N	419.481	4.035	5	1	HIBF	
COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O	587432695	KTZPYUJHRBOJBK-SBUREZEXSA-N	408.454	4.257	5	1	HIBF	
COc1cc(/C=C\c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Br	586977756	RKMBMBATGVMLPB-HYXAFXHYSA-N	419.191	4.321	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cccc21	587391313	UYLFJSUCSZUKLJ-HSZRJFAPSA-N	416.389	4.073	5	1	HIBF	
CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587575726	KWKJQPLRSNFGQN-DENIHFKCSA-N	406.394	4.069	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1	586919774	HIBILSZGZSHJGS-UHFFFAOYSA-N	417.390	4.057	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c12	587125910	HJUCKBZWQSOHMD-UHFFFAOYSA-N	408.174	4.174	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(Cc3cccc([N+](=O)[O-])c3C2)[C@@H]1c1ccc(F)cc1	587342764	PROVPUAWCWNQIT-GGAORHGYSA-N	405.381	4.336	5	1	HIBF	
CCCCOc1ccc([N+](=O)[O-])cc1[C@H]1N[C@@H](C)Cc2c(OC)ccc(OC)c21	963634551	KIKDZTBUHLTMIG-RCDICMHDSA-N	400.475	4.415	5	1	HIBF	
Cc1ccc(NCC[C@@]2(c3cccc([N+](=O)[O-])c3)c3c(cnn3C)CCN2C)cc1C	963956348	XBAQVFFIHCJZFX-XMMPIXPASA-N	419.529	4.179	5	1	HIBF	
O=[N+]([O-])c1cc(Br)cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12	587139349	HZSJVIDJTHBLCX-UHFFFAOYSA-N	400.154	4.436	5	1	HIBF	
CCN(CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)CC1CCCCC1	13738609	BFWRMABENNLHFK-UHFFFAOYSA-N	401.507	4.263	5	1	HIBF	
Cc1cc(N(C)Cc2nc3cc(F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F	587136724	JZRNGLIHNWWZOG-UHFFFAOYSA-N	411.206	4.457	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587748589	ABWRNHGUIGAOEV-YPMLDQLKSA-N	407.239	4.057	5	1	HIBF	
O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc(C(F)(F)F)cc3)CC2)cc1	95558713	AYDAHNWIGJVYNB-UHFFFAOYSA-N	407.436	4.016	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1c1ccc(F)cc1	587343425	SVCBDLDRLAQKCF-FYYLOGMGSA-N	405.381	4.336	5	1	HIBF	
COc1ccc2c(C)c(CCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c(=O)oc2c1C	586918471	MASXBVWSUQWQDK-UHFFFAOYSA-N	411.389	4.127	5	1	HIBF	
O=C1C[C@@](Cn2cc([N+](=O)[O-])cn2)(c2ccccc2)Oc2c1ccc1c2CCCC1	587513304	RIVIXLLJQTVGEV-HSZRJFAPSA-N	403.438	4.231	5	1	HIBF	
C[C@@H]1CN(c2ncnc(NC(c3ccccc3)c3ccccc3)c2[N+](=O)[O-])C[C@@H](C)O1	8663098	XVCLOYOIVUAIEU-IAGOWNOFSA-N	419.485	4.200	5	1	HIBF	
O=Nc1c([C@@H]2C(=O)Nc3ccc([N+](=O)[O-])cc32)[nH]c2ccc(Br)cc12	169722502	VBOZZVDANBDMIW-CYBMUJFWSA-N	401.176	4.321	5	1	HIBF	
CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587341679	KNVWZYFQQGFKNT-FYYLOGMGSA-N	421.380	4.283	5	1	HIBF	
COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1	587934415	DLQFLJSLCPNOBO-XXFAHNHDSA-N	406.236	4.079	5	1	HIBF	
O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[C@@H](CNCc3cccc([N+](=O)[O-])c3)C2)c1	45357537	MFNJBRMRTOXEHJ-QZTJIDSGSA-N	412.490	4.189	5	1	HIBF	
O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccc([N+](=O)[O-])cc1	261077928	BFMJGQGXQTYTGE-UHFFFAOYSA-N	411.414	4.356	5	1	HIBF	
C[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-]	587104820	KALJRNITRPUSJV-XZJROXQQSA-N	402.406	4.015	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O2	587390473	QIGWAIJIQLRJTM-KKSFZXQISA-N	411.414	4.455	5	1	HIBF	
COc1cc2oc(=O)c3oc4c5c(ccc4c(=O)c3c2cc1OC)OC(C)(C)C=C5	13434202	NWWVDLRRSGQBKO-UHFFFAOYSA-N	406.390	4.254	5	1	HIBF	biogenic
COCCNc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1[N+](=O)[O-]	587261745	HLRPHIPVESYLPL-UHFFFAOYSA-N	409.215	4.098	5	1	HIBF	
CCc1ccc([C@]2(c3ccc([N+](=O)[O-])cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1	587430777	BRXLTEXJJIJBKU-WZONZLPQSA-N	405.406	4.450	5	1	HIBF	
COCCNc1ncc(-c2nc3ccccc3s2)c(-c2cccc([N+](=O)[O-])c2)n1	82225299	SFWZLBNVWGPUNF-UHFFFAOYSA-N	407.455	4.387	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc3cn[nH]c3cc2[nH]1	587053412	FACFGVSSLRDIEN-KRWDZBQOSA-N	412.837	4.128	5	1	HIBF	
CC(C)CCOc1cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2cc1Br	587275325	BXDHQTCQBRGTQT-LLVKDONJSA-N	422.283	4.464	5	1	HIBF	
COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1	587784223	GAPQJOLAKZNBSS-CHWSQXEVSA-N	416.231	4.177	5	1	HIBF	
C[C@@]1(c2cc([N+](=O)[O-])ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1	587339740	URKVEAWJCJGJTK-IRLDBZIGSA-N	408.385	4.296	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3ccc([N+](=O)[O-])n3)cc1)CC2=O	587472237	YXBBOLCDNASXLY-FQEVSTJZSA-N	423.425	4.192	5	1	HIBF	
CCOc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587575983	LVAWTTJMJCMEPG-DENIHFKCSA-N	407.378	4.402	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc([N+](=O)[O-])ccc32)N1	587751483	MYHSXAPFPRLLJU-MGNBDDOMSA-N	407.239	4.057	5	1	HIBF	
CCN(CC)CCNc1ccc(COC(=O)OC)c2sc3ccccc3c(=O)c12	5487839	YVYTZXXAYHHSEY-UHFFFAOYSA-N	414.527	4.451	5	1	HIBF	
Nc1nccn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)c([N+](=O)[O-])c3)c12	96168085	FTCULAVYXAUGCJ-UHFFFAOYSA-N	413.437	4.385	5	1	HIBF	
CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c3cccnc3c3ncccc3c2[nH]1	587194610	WGCVBJGGAGMGSS-MRXNPFEDSA-N	420.517	4.177	5	1	HIBF	
CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cn1	587246637	DPYVCZCVWDEBPA-UHFFFAOYSA-N	418.251	4.280	5	1	HIBF	
COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1	587573909	DJDGGSRXFPMWBK-NZQKXSOJSA-N	421.405	4.272	5	1	HIBF	
COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(F)cc2c1=O	1857540451	JTQBMNVCTDMQFZ-JXMROGBWSA-N	407.357	4.205	5	1	HIBF	
CCOC(=O)N1C(CC)=NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-]	26484042	KHWDZOOVTHUGMH-SFHVURJKSA-N	403.435	4.142	5	1	HIBF	
CCN(CC)CCn1nc2c3ccc(OC)cc3sc3c(NCCN)ccc1c32	29333893	WSJUPCJCGSLXIZ-UHFFFAOYSA-N	411.575	4.125	5	1	HIBF	
O=C1NN=C2C=C(c3ccc(Br)cc3)C[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]12	299832708	KGHUNBLYUDIRBP-SJLPKXTDSA-N	412.243	4.030	5	1	HIBF	
COCCNc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1[N+](=O)[O-]	587262611	YYATVLSJQGJDSB-UHFFFAOYSA-N	409.215	4.098	5	1	HIBF	
O=[N+]([O-])c1cccc(CNCC2CCC(CNCc3cccc([N+](=O)[O-])c3)CC2)c1	45227174	IMSJJYJHDQYXMV-UHFFFAOYSA-N	412.490	4.189	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1F	586997403	BVXCKXVWANTLLV-OWOJBTEDSA-N	406.167	4.272	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Cl)ncc2[nH]1	587056682	SRVPNCKAZZNPNB-HNNXBMFYSA-N	408.245	4.300	5	1	HIBF	
COCCNc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1[N+](=O)[O-]	587261778	ITQDEBPWKRIPCH-UHFFFAOYSA-N	409.215	4.098	5	1	HIBF	
O=[N+]([O-])c1cc(N[C@H]2CCCN(Cc3ccccc3C(F)(F)F)C2)ccc1CO	1857773348	XZAGXRUNKMJLML-KRWDZBQOSA-N	409.408	4.182	5	1	HIBF	
Cc1nc(-c2cnc(NC[C@H]3CCCO3)nc2-c2cccc([N+](=O)[O-])c2)sc1C	82163614	NZOJGXHLZYIPDC-MRXNPFEDSA-N	411.487	4.383	5	1	HIBF	
COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccccc4[N+](=O)[O-])o1)[C@@H](C2)C3=O	587434028	PAFVMAGGWXLVCH-NYHFZMIOSA-N	407.378	4.264	5	1	HIBF	
O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc3cc4ccccc4cc3nc2O)N1	963229587	PKROZIMNTXDNMB-RPWUZVMVSA-N	421.456	4.330	5	1	HIBF	
CS(=O)(=O)c1cc(-c2nc3cc4ccccc4cc3[nH]2)cc([N+](=O)[O-])c1Cl	586925736	IMJRFPAPBSZTEG-UHFFFAOYSA-N	401.831	4.348	5	1	HIBF	
CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Br)cc1	587643706	IRHNJWHQSRGHQO-UHFFFAOYSA-N	417.215	4.246	5	1	HIBF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749228	CUTQDVGIXICWSL-NIVTXAMTSA-N	423.238	4.023	5	1	HIBF	
COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)C2	13744631	ACJJKDSOGZQROR-IBGZPJMESA-N	424.497	4.269	5	1	HIBF	
Cn1cc(N(Cc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCCC1	40934150	JCCDHDXGTMQIQD-UHFFFAOYSA-N	420.469	4.213	5	1	HIBF	
O=[N+]([O-])c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1F	587001786	QNPVRYASNKSDHG-OWOJBTEDSA-N	420.194	4.314	5	1	HIBF	
CCCOc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br	587267419	KEBFNTHQZVXKLJ-JTQLQIEISA-N	408.256	4.137	5	1	HIBF	
O=c1oc2ccc3ccccc3c2cc1-c1nnc(O)c2nn(-c3ccccc3)cc12	38346533	ITFODUVCYQWCKU-UHFFFAOYSA-N	406.401	4.448	5	1	HIBF	
O=C1NN=C2C=C(c3ccc(Br)cc3)C[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]12	299832710	KGHUNBLYUDIRBP-WMZOPIPTSA-N	412.243	4.030	5	1	HIBF	
Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1	587279741	QEKJZOSGDNBARZ-UHFFFAOYSA-N	406.354	4.033	5	1	HIBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3C(F)(F)F)cc1)C2	45288442	VIIHCVBAAHGQNO-HNNXBMFYSA-N	419.359	4.455	5	1	HIBF	
N/C(=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1[N+](=O)[O-])C(=O)O	102981750	YJMUVEHAOQERPK-UYRXBGFRSA-N	420.421	4.137	5	1	HIBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)nn2)c1	587269823	PJAOSSOGLRFKLL-UHFFFAOYSA-N	408.727	4.391	5	1	HIBF	
CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O	587627355	SZDRLHBFFXMRKU-UHFFFAOYSA-N	416.817	4.460	5	1	HIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3c2)cc1	587268261	ZDZXIYWHILIZGG-ZDUSSCGKSA-N	421.413	4.164	5	1	HIBF	
C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149661	GWCNTRNCQVTILQ-IRXDYDNUSA-N	423.517	4.160	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1	587261603	COGKZOVJPUZGQP-SECBINFHSA-N	424.335	4.236	5	1	HIBF	
C[C@@]1(COc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)Cn2cc([N+](=O)[O-])nc2O1	653726174	RUBSSEHODLIZFC-SFHVURJKSA-N	420.347	4.102	5	1	HIBF	
CNc1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-]	962710065	PHDCYRUEBYKPAN-VFNWGFHPSA-N	401.507	4.403	5	1	HIBF	
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1c2c2cccc3c2n1CC[C@H]3CO	14945616	PDUUZVOLPGEGDS-AWEZNQCLSA-N	406.441	4.464	5	1	HIBF	
CC(=O)Nc1ccc([C@@]2(c3ccccc3)NCCc3cc(C)c(F)cc32)cc1[N+](=O)[O-]	962374613	LKOLMUAPNGMKNU-XMMPIXPASA-N	419.456	4.438	5	1	HIBF	
COc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1COc1cc(F)ccc1[N+](=O)[O-]	963078594	YHZQXOKNUYTPFH-QFIPXVFZSA-N	423.444	4.260	5	1	HIBF	
CC(=C(c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1	1857627830	FFXUYTKTXDMJFP-UHFFFAOYSA-N	404.422	4.144	5	1	HIBF	
COc1cc(C(=O)OCCCC[N+](C)(C)C)cc(OC)c1OCC1CCCCC1	26252324	UAZUYRHXOUDIKE-UHFFFAOYSA-N	408.559	4.306	5	1	HIBF	
CCCc1c2nc(C(=O)O)cc(Oc3ccccc3)c2cc2c(=O)cc(C(=O)O)oc12	29239604	BNZHDVYOSMJMMG-UHFFFAOYSA-N	419.389	4.482	5	1	HIBF	
O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1	587342184	LZLHSQGSEGDPRU-GMAHTHKFSA-N	421.380	4.476	5	1	HIBF	
COc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1	587747631	PBGDWSWNXTZAJX-JEOXALJRSA-N	423.282	4.497	5	1	HIBF	
COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1	2483257	AKYYQEHXAYFOPD-UHFFFAOYSA-N	419.796	4.086	5	1	HIBF	
CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc4ncsc4c3)n2)cc1	64564462	LPDGUNUCCXNKDS-UHFFFAOYSA-N	421.442	4.440	5	1	HIBF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749645	FBGVVDDVGXITNC-LZVRBXCZSA-N	423.238	4.023	5	1	HIBF	
Clc1nccnc1N1CCC(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1	587085294	RELFADZNYGKBAY-UHFFFAOYSA-N	415.888	4.487	5	1	HIBF	
O=[N+]([O-])c1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F	587149139	QACYNXDSVWMANX-UHFFFAOYSA-N	402.126	4.230	5	1	HIBF	
CCCc1c(O)ccc2c1O[C@H](c1ccc(OCn3cc([N+](=O)[O-])cn3)cc1)CC2=O	587472282	ZZWUBLISPICTEO-NRFANRHFSA-N	423.425	4.192	5	1	HIBF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cccc([N+](=O)[O-])c12	587573453	BXKHZWANMADGIC-SIKLNZKXSA-N	402.362	4.485	5	1	HIBF	
O=c1c(OCc2cccc([N+](=O)[O-])c2)c(-c2ccccc2)oc2cc(O)cc(O)c12	64513463	XJFLBWVLJXRNSO-UHFFFAOYSA-N	405.362	4.358	5	1	HIBF	
COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587745610	HYSWNXDNYJTXAH-MLCYQJTMSA-N	409.255	4.303	5	1	HIBF	
CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	26578354	MNQUJICKNQOWHX-IDTYTIONSA-N	407.448	4.048	5	1	HIBF	
CCOC(=O)c1c([C@H]2CCCN2C(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12	587649360	SOBPMVVENJZFRF-CQSZACIVSA-N	403.435	4.325	5	1	HIBF	
O=[N+]([O-])c1ccc(CNc2nc(NCc3cccc(Cl)c3)nc3[nH]cnc23)cc1	87722036	WOBZHOGMIFGUAL-UHFFFAOYSA-N	409.837	4.139	5	1	HIBF	
C[C@]12C[C@H](NC(=O)N1c1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1O2	2498633	RNWBZSJFQLJKPG-YOEHRIQHSA-N	404.220	4.127	5	1	HIBF	
CC(C)(C)OC(=O)N(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C[C@H]1CCCO1	587195973	LJGNAUKFBSUDKL-LLVKDONJSA-N	410.858	4.041	5	1	HIBF	
CCOC(=O)C[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3	587511440	GPWYLGXJPJAONS-QHCPKHFHSA-N	409.438	4.288	5	1	HIBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1	586919551	ADUPEDODTZALCO-UHFFFAOYSA-N	409.423	4.237	5	1	HIBF	
CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C	587860217	OJUQDROUORUXBX-UHFFFAOYSA-N	424.244	4.009	5	1	HIBF	
O=C1C[C@H](c2cc(=O)oc3c2ccc2ccccc23)c2c(c3ccccc3oc2=O)O1	1857631056	BXPBYSQBUBUIGD-GOSISDBHSA-N	410.381	4.494	5	1	HIBF	
COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(C2CC2)CN1C3	72112124	TZSPVXZCWLSJCY-INIZCTEOSA-N	404.510	4.181	5	1	HIBF	
CC(C)(C)OC(=O)N1O[C@@H]2CC[C@@H]1C21CCN(c2ccc([N+](=O)[O-])cc2F)CC1	102991345	AZWODWZPINLTHK-IAGOWNOFSA-N	407.442	4.034	5	1	HIBF	
COCCNc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1[N+](=O)[O-]	587262386	TZONNGQAMFEGAJ-UHFFFAOYSA-N	409.215	4.098	5	1	HIBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	587264092	ACAOIEHUJMLJPB-JTQLQIEISA-N	400.744	4.091	5	1	HIBF	
C[C@@]1(c2ccc(O)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1	587329853	ARFGISLIWZBPMC-UNMCSNQZSA-N	409.369	4.419	5	1	HIBF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1	587862737	GOIYMLHAUMEGRI-UHFFFAOYSA-N	405.332	4.483	5	1	HIBF	
COc1cc2c(cc1OC)[C@H](Cc1cc(=O)oc3c1ccc1ccccc13)NCC2	64499432	USKBZFNYIFZLSW-NRFANRHFSA-N	401.462	4.393	5	1	HIBF	
C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2N1	587127512	ZSXFBEOTFJVEKX-PWCHPLFNSA-N	400.748	4.296	5	1	HIBF	
O=[N+]([O-])c1cccnc1NCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1	587268863	MHNATIYGEVZMRI-UHFFFAOYSA-N	416.157	4.260	5	1	HIBF	
Cc1nn(Cc2ccccc2-c2nc3cc(F)c(F)c(F)c3[nH]2)c(C)c1[N+](=O)[O-]	587267705	PDEKTCXDIVENCD-UHFFFAOYSA-N	401.348	4.417	5	1	HIBF	
CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	82135865	PVOVNJJTFWYGTR-OAHLLOKOSA-N	405.458	4.192	5	1	HIBF	
COc1cc([N+](=O)[O-])ccc1C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21	587746312	JMVGTGOBUSYJSY-MEBBXXQBSA-N	409.255	4.323	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(cc2[N+](=O)[O-])OCO3)N1	587749650	FBGVVDDVGXITNC-YYSFKGJASA-N	423.238	4.023	5	1	HIBF	
CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	82135866	PVOVNJJTFWYGTR-HNNXBMFYSA-N	405.458	4.192	5	1	HIBF	
COCCOc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1[N+](=O)[O-]	587266025	UDKNJKHSSDCXIT-UHFFFAOYSA-N	410.199	4.065	5	1	HIBF	
CN(C)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587577550	SPTNHIIVQSUJPE-DENIHFKCSA-N	406.394	4.069	5	1	HIBF	
COc1ccc2cc(CN3CCCC[C@H]3C(=O)O)c3cc(OC)c(OC)cc3c2c1	1857539974	UPCHFLHZPAKITO-NRFANRHFSA-N	409.482	4.458	5	1	HIBF	
NCCCNCCCCNCCCCNCc1c2ccccc2cc2ccccc12	13522182	QPWVVYYNIDWGAG-UHFFFAOYSA-N	406.618	4.171	5	1	HIBF	
O=C(NOCc1ccccc1)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1	299830164	WYEGTRACGXRRRL-UHFFFAOYSA-N	422.422	4.144	5	1	HIBF	
COc1cc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1[N+](=O)[O-]	587262489	ARKOUFZTQCLKKW-UHFFFAOYSA-N	414.162	4.099	5	1	HIBF	
COc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nc(=S)n4CCCN(C)C)c2c1	33917318	NWQGFYCDSQERJN-UHFFFAOYSA-N	411.487	4.269	5	1	HIBF	
COc1cccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c12	587054953	NIUVWKNCILENNP-INIZCTEOSA-N	402.838	4.260	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)N1	587714910	GLTADZZJRYOLBN-QZTNRIJFSA-N	401.182	4.398	5	1	HIBF	
O=C(Cc1ccc(F)cc1)Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1	34636009	SUIUKIDEATZQKG-UHFFFAOYSA-N	406.373	4.169	5	1	HIBF	
Cc1ccc2c(CC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc(=O)oc2c1C	71341191	LRNHEDKNCLYMOX-UHFFFAOYSA-N	409.423	4.109	5	1	HIBF	
Cc1c(-c2nc3ccc(Br)nc3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979956	LDNPKOCXXTYIGO-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c([N+](=O)[O-])cc2F)N1	587721499	WIBUSLGMGZNWNK-GYKQLYQFSA-N	401.182	4.398	5	1	HIBF	
CNc1ccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1[N+](=O)[O-]	962710061	PHDCYRUEBYKPAN-QVKFZJNVSA-N	401.507	4.403	5	1	HIBF	
COc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1[N+](=O)[O-]	587747685	PIJDICRZRCGQCS-MLCYQJTMSA-N	409.255	4.303	5	1	HIBF	
O=C(N[C@H]1CCCc2ccccc21)c1cccn2c(=O)c3cc(Cl)ccc3nc12	2957428	RHOSQJGTWXSZMV-IBGZPJMESA-N	403.869	4.309	5	1	HIBF	
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)[C@@H](O)CN(C(C)C)C3	72317694	YSLRPHYTKSVLGN-IBGZPJMESA-N	411.498	4.285	5	1	HIBF	
O=C(COc1ccccc1)N1CCCC[C@H]1c1ncc(-c2cccc([N+](=O)[O-])c2)o1	299857654	OJVILWGSTLHHJO-IBGZPJMESA-N	407.426	4.382	5	1	HIBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12	587040549	HYGYRFAQGUIMPT-UONOGXRCSA-N	419.304	4.180	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587266697	NEAQGJNVPRCGRH-ZETCQYMHSA-N	406.742	4.114	5	1	HIBF	
COc1cc(-c2c(C)nn3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)[nH]c23)ccc1Cl	1857609461	RBVJQFHNFLEPGE-UHFFFAOYSA-N	410.817	4.235	5	1	HIBF	
O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587164273	ZXKPCUYKFSZEBX-UHFFFAOYSA-N	406.329	4.416	5	1	HIBF	
O=[N+]([O-])c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12	587167080	HILNUOIGKJYFHB-UHFFFAOYSA-N	418.431	4.140	5	1	HIBF	
O=C1Cc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1	1772596713	HYVGIYUMYNDTLT-UHFFFAOYSA-N	403.822	4.044	5	1	HIBF	
C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H]1C[N+](=O)[O-]	587261340	BCKQQCXGCUJRLN-QNSHHTMESA-N	423.313	4.261	5	1	HIBF	
COc1ccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)cc1OC	1857747870	HMYUQCISVGNILM-UHFFFAOYSA-N	402.410	4.388	5	1	HIBF	
Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c3ccccc3c3ccccc3c2[nH]1	586930532	RKZJNGKALPGXBI-UHFFFAOYSA-N	417.490	4.404	5	1	HIBF	
O=[N+]([O-])c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1	587170028	HXOHEHYIVZRUFE-UHFFFAOYSA-N	418.431	4.140	5	1	HIBF	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)c(Br)c2[nH]1	587264492	GOCPLGPOFJELHQ-ZETCQYMHSA-N	424.186	4.454	5	1	HIBF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccc([N+](=O)[O-])cc2)N1	587743987	CIGMKXNOOQLMKX-MGNBDDOMSA-N	407.239	4.129	5	1	HIBF	
NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	587071251	YAZKWVOCSCTLEJ-JTQLQIEISA-N	409.671	4.172	5	1	HIBF	
CNc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-]	587747664	PFRJUPHDWXGYHY-MLCYQJTMSA-N	408.271	4.336	5	1	HIBF	
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1	715450	JDQXWWXVVCJDAW-WENBPLFZSA-N	412.398	4.276	5	1	HIBF	
O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(Cl)c2[nH]1	587269010	GUWPPUHQRCKAPU-UHFFFAOYSA-N	410.611	4.279	5	1	HIBF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc1)O2	587388598	DLZQHCRRQUQPAF-NRFANRHFSA-N	418.405	4.411	5	1	HIBF	
O=c1c2c(O)cc(O)cc2oc2cc(O)c(-c3c(O)ccc4ccc(O)cc34)c(O)c12	72179266	BBRPEGQQMDPSKT-UHFFFAOYSA-N	418.357	4.000	5	1	HIBF	
CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(C2CC2)n1	587231732	FYHOIIFWJNGFHM-UHFFFAOYSA-N	409.446	4.435	5	1	HIBF	
COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1	587273350	HEDFQPCUZNCNDN-ZDUSSCGKSA-N	421.413	4.050	5	1	HIBF	
CCCCNc1ncc(C(=O)NCc2ccccc2)c(-c2cccc([N+](=O)[O-])c2)n1	82135614	DAAOEBGXBFHVGE-UHFFFAOYSA-N	405.458	4.194	5	1	HIBF	
COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c(F)c2)c1	587147616	PSZPLOXEBMKLDI-UHFFFAOYSA-N	408.345	4.046	5	1	HIBF	
Cc1ccc2nc3[nH]c(=NCc4ccc(CN5CCCCC5)cc4)nc(O)c3cc2c1	1857629542	VOBMCJYRTCZLHI-UHFFFAOYSA-N	413.525	4.212	5	1	HIBF	
C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1	82148176	OUZURHHODJPLJA-OXQOHEQNSA-N	423.517	4.351	5	1	HIBF	
Cc1cc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2cc1[N+](=O)[O-]	587003863	OOIAHWCRQJLMFA-SNVBAGLBSA-N	416.231	4.177	5	1	HIBF	
Ic1cncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	587185134	QLIPHHSGNGNMDY-UHFFFAOYSA-N	423.217	4.326	5	1	HIBF	
O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccc([N+](=O)[O-])cc12	587575690	KHDMWRSZUCNXQC-OFNKIYASSA-N	403.390	4.494	5	1	HIBF	
COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc([N+](=O)[O-])cc2)n1	1857638391	JQAWSRBWOCHKTL-UHFFFAOYSA-N	409.229	4.175	5	1	HIBF	
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2cccc(F)c2F)cc1	13584394	QCURNHRDXSRUTC-UHFFFAOYSA-N	413.409	4.353	5	1	HIBF	
CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC[C@H](O)C[N+](C)(C)C	299829628	HSTMQVALRULKGG-XNOGGZAYSA-N	416.626	4.431	5	1	HIBF	
Cc1ncc2c(n1)N=c1c(c3c(c4ccccc14)=Nc1cc([N+](=O)[O-])ccc1O3)S2	1857633000	GBWFHTJHFHKWJY-UHFFFAOYSA-N	413.418	4.319	5	1	HIBF	
COc1cc(C(=O)c2sc(-c3ccc([N+](=O)[O-])cc3)cc2N)cc(OC)c1OC	35065335	YWGGCKVXOLKBDP-UHFFFAOYSA-N	414.439	4.162	5	1	HIBF	
O=[N+]([O-])c1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c([N+](=O)[O-])c1	587264371	MKYGZOZJCJVRNQ-UHFFFAOYSA-N	400.354	4.067	5	1	HIBF	
O=C1C[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H](c2ccc(O)cc2)N1Cc1ccccc1	653730603	YFFVUQSIJRYKLB-QTJGBDASSA-N	402.450	4.295	5	1	HIBF	
O=[N+]([O-])c1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc([N+](=O)[O-])cc3)C2)cc1	95587299	SJZRBGHYARKVLM-PMACEKPBSA-N	412.490	4.189	5	1	HIBF	
CCn1cc(Br)c(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)n1	587000436	NOGKODRZMNCUNZ-UHFFFAOYSA-N	407.275	4.229	5	1	HIBF	
O=[N+]([O-])c1cccc(CNC[C@H]2CCC[C@H](CNCc3cccc([N+](=O)[O-])c3)C2)c1	45357534	MFNJBRMRTOXEHJ-ROUUACIJSA-N	412.490	4.189	5	1	HIBF	
c1cncc(-c2noc(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)n2)c1	586966406	DADNAKWUOZDCPY-UHFFFAOYSA-N	411.450	4.397	5	1	HIBF	
Cc1c(-c2nc3ccnc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-]	586979728	JKZMVACOJFMIMN-UHFFFAOYSA-N	412.041	4.367	5	1	HIBF	
CC(=O)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2[C@@]12NCCc1cc(-c3ccccc3)ccc12	962666327	LTQXBJARHOEACJ-RDGATRHJSA-N	412.445	4.053	5	1	HIBF	
COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1OC)[C@H](O)[C@@]1(C)CCCN1C3	14593904	GLTPZLWULMGGJK-BJKOFHAPSA-N	409.482	4.126	5	1	HIBF	biogenic
CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1	299857441	CWWZAHLHWVDGJG-UHFFFAOYSA-N	412.409	4.291	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1	587263266	LBLBGGPOFVBJGW-SECBINFHSA-N	424.335	4.236	5	1	HIBF	
COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-]	587747993	RESIGDJUBDVFEV-YPMLDQLKSA-N	409.255	4.303	5	1	HIBF	
COc1ccc2c(=O)c3cc(CN4CCN(Cc5ccccc5)CC4)ccc3oc2c1	96927926	TZKYDZXPTOLTKY-UHFFFAOYSA-N	414.505	4.273	5	1	HIBF	
Cc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1[N+](=O)[O-]	587018166	VJJAELFHNKSOCY-UHFFFAOYSA-N	408.439	4.265	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-])[C@@H](C2)C3=O	587422149	NUTVBXGKEAOAEH-IFXJQAMLSA-N	423.343	4.251	5	1	HIBF	
CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O	587573487	CNNAZPCOQOGBTM-PGRDOPGGSA-N	423.377	4.108	5	1	HIBF	
CN(c1ccc([N+](=O)[O-])cc1OCc1ccccc1-c1ccccc1)S(C)(=O)=O	35323816	STFSBIKCKYKMEV-UHFFFAOYSA-N	412.467	4.237	5	1	HIBF	
CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1	587048574	KCBWOQULBYPILL-UHFFFAOYSA-N	403.782	4.294	5	1	HIBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cnc3ccccc3c2[nH]1	587264857	UNSDSGKBKOIMHD-LBPRGKRZSA-N	406.398	4.371	5	1	HIBF	
O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc(S(=O)(=O)O)ccc4[nH]3)cc2)cc1	587273058	ZYILAIMUZVVNJD-UHFFFAOYSA-N	411.395	4.177	5	1	HIBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O	587656766	NIZRQLKKDYPWTL-UHFFFAOYSA-N	421.359	4.133	5	1	HIBF	
COc1cc(C(=O)c2sc(-c3cccc([N+](=O)[O-])c3)cc2N)cc(OC)c1OC	35065337	AEFDRIUWDBOZAT-UHFFFAOYSA-N	414.439	4.162	5	1	HIBF	
CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c([N+](=O)[O-])c1	587577575	SWSLFYGQVBYWHN-GCJKJVERSA-N	407.378	4.271	5	1	HIBF	
CCCc1c2nc(C(=O)O)cc(Nc3ccccc3)c2cc2c(=O)cc(C(=O)O)oc12	100788454	AJBCFYIROCXDKC-UHFFFAOYSA-N	418.405	4.434	5	1	HIBF	
CCO/C(O)=C1/C(C)=Nc2nc(SCC)nc(O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	104056692	RTFBAVBXSSVKAQ-VVTMIQRTSA-N	416.459	4.246	5	1	HIBF	
COc1cc2c([C@@H]3CCC[N+]3(C)[O-])cnc(Cc3ccc4c(c3)OCO4)c2cc1OC	154329995	YBHMNZKRQJGYRP-DQUNLGLBSA-N	422.481	4.351	5	1	HIBF	
NS(=O)(=O)c1ccc(CCc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1	586930794	YKYLDVRTFVTIJJ-UHFFFAOYSA-N	401.491	4.302	5	1	HIBF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cncc(Cl)c2[nH]1	587058012	ZHBXQPMNDUDKPE-AWEZNQCLSA-N	408.245	4.300	5	1	HIBF	
O=C1C[C@@H](c2cccc(OCn3cc([N+](=O)[O-])cn3)c2)Oc2c1ccc1c2CCCC1	587514553	ZMSMKFZOYJNKNT-QFIPXVFZSA-N	419.437	4.413	5	1	HIBF	
COc1cccc(OC)c1-c1ccc(C[C@H](Nc2ccccc2[N+](=O)[O-])C(=O)O)cc1	13439236	AYONUAGLNYQGOH-SFHVURJKSA-N	422.437	4.387	5	1	HIBF	
COc1cc(C[C@H](O)c2ccc(-c3cccc(CO)c3)cc2)c([N+](=O)[O-])cc1OC	653714265	LYHDIVXDXSABLH-NRFANRHFSA-N	409.438	4.047	5	1	HIBF	
CCCCCC[C@H](O)[C@@H](C(=O)OC)c1cccc2nc3c(C(=O)OC)cccc3nc12	40878289	SOKLNJHTUUKGKZ-PMACEKPBSA-N	424.497	4.158	5	1	HIBF	biogenic
Cc1ccc2c(c1)[C@](O)(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)C2=O	143298542	GMIADEARVTWWFB-JOCHJYFZSA-N	408.841	4.406	5	1	HIBF	
COc1ccc(C=O)c2cc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)oc12	586904620	ZMSMHIAMZTYTTJ-UHFFFAOYSA-N	416.187	4.468	5	1	HIBF	
COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(C)c([N+](=O)[O-])c1OC)[C@@H](C2)C3=O	587422037	OVOHSDFSIJNOCK-YUNKPMOVSA-N	403.818	4.237	5	1	HIBF	
CNc1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1[N+](=O)[O-]	962710057	PHDCYRUEBYKPAN-BTYIYWSLSA-N	401.507	4.403	5	1	HIBF