smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1	13546957	XWDNYGYPNLTESU-UHFFFAOYSA-N	425.445	1.108	5	40	IDBB	
COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N(C)Cc2ccc(Br)cc2)c1=O	29065909	BPVQUBIDFZOJHK-UHFFFAOYSA-N	438.234	1.964	5	40	IDBB	
CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)CC2	72295586	YNTYKSVDYRKSDB-UHFFFAOYSA-N	441.487	1.653	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC2CCC(O)CC2)CC1	12753871	KCQXRSKZUDVSPB-UHFFFAOYSA-N	425.507	1.724	5	40	IDBB	
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)cc1OC	104128490	UWFOXJYVQARMGP-SJLPKXTDSA-N	427.369	1.913	5	40	IDBB	
CC(C)CN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	9352499	HRBABTPCXFVMMJ-HNNXBMFYSA-N	444.531	1.902	5	40	IDBB	
O=C(NCCCN1CCOCC1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	25180012	KSQMHJLOMQZBEX-OBGWFSINSA-N	428.445	1.797	5	40	IDBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2	224838702	BPQZAUCYGWPESK-UHFFFAOYSA-N	438.414	1.743	5	40	IDBB	
COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])c1	12569600	FSPYPLYVADORTP-HXUWFJFHSA-N	442.384	1.738	5	40	IDBB	
CN1CCN(C(C)(C)CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1	12728202	ZNMIGOPZZCSXBQ-UHFFFAOYSA-N	425.555	1.817	5	40	IDBB	
O=CN1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	13675464	JPHBHLVKFJJLHX-UHFFFAOYSA-N	432.458	1.091	5	40	IDBB	
COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	13856682	CLWRZRXOABYBOB-HNNXBMFYSA-N	441.396	1.523	5	40	IDBB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1	20674994	BRNPWFMQYZEMNX-HOTGVXAUSA-N	447.448	1.075	5	40	IDBB	
Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-]	40072495	LEUYJSJVZFVGPF-GJZGRUSLSA-N	426.495	1.015	5	40	IDBB	
O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1	78902785	QMNRZTAIZJOQLE-UHFFFAOYSA-N	446.445	1.056	5	40	IDBB	
COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1[N+](=O)[O-]	9791602	OZRMCHGKTGIXML-UHFFFAOYSA-N	429.476	1.963	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cnn(C[C@@H]2CCCO2)c1	40139258	KGKMVGXSGXJESR-HNNXBMFYSA-N	437.478	1.735	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CCC(C)CC1)S(C)(=O)=O	10540779	IZZFVZKHKMVFQD-UHFFFAOYSA-N	442.538	1.608	5	40	IDBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCCn1cnc2c1c(=O)n(C)c(=O)n2C	12525659	LZZQUTAQPUTKJF-UHFFFAOYSA-N	444.448	1.045	5	40	IDBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1	113889092	FAUQKWDTGKYESK-UHFFFAOYSA-N	425.375	1.880	5	40	IDBB	
CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)CC1	5100427	QZSGEBARJRNXBW-UHFFFAOYSA-N	426.525	1.431	5	40	IDBB	
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCOCC2)c1	23107153	XSXKNJSDIMYOEN-IBGZPJMESA-N	428.445	1.732	5	40	IDBB	
Cc1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1	15266297	GHUVHQRFAAMBJC-GOSISDBHSA-N	435.502	1.649	5	40	IDBB	
CN1CCN(c2cc3[nH]c(O)nc3cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	408527176	CYLIUULVBJIDQC-UHFFFAOYSA-N	432.462	1.729	5	40	IDBB	
COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	409211786	KCRGKVASVNNNBT-JYRVWZFOSA-N	425.419	1.498	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408659690	MPPWOVQWXQMIFQ-NUTGUDPMSA-N	429.429	1.805	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	409145768	PNKGIHMCMWDOOK-QPAVJXABSA-N	430.369	1.250	5	40	IDBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	32999805	JBTBKKONIYUWRM-RHSMWYFYSA-N	427.413	1.569	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F	35436175	QXRUHCMIULEZDO-UHFFFAOYSA-N	436.465	1.987	5	40	IDBB	
CCNC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	12855117	LTUUGWKCZWHZLL-NSHDSACASA-N	446.913	1.290	5	40	IDBB	
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-])C2=O	9545281	MQSFIUMTRJVPDK-WYRIXSBYSA-N	436.396	1.716	5	40	IDBB	
O=[N+]([O-])c1ccc(NC[C@@H]2COc3ccccc3O2)c(S(=O)(=O)N2CCOCC2)c1	34887763	SWBIRRBEZKUQNI-OAHLLOKOSA-N	435.458	1.868	5	40	IDBB	
CCOCCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cccc(C)c3nc21	100628075	TXTINNBUTXWXCG-MRXNPFEDSA-N	439.516	1.772	5	40	IDBB	
Cc1[nH]c(=O)sc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1	12606612	WJHIFISGPTWDJN-UHFFFAOYSA-N	435.487	1.712	5	40	IDBB	
Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])n1	12696242	RXPGEAPQQRXRCV-UHFFFAOYSA-N	436.538	1.846	5	40	IDBB	
O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1ccc2c(c1)OCO2	36259500	ZJCYRXFCKODRKR-UHFFFAOYSA-N	448.457	1.269	5	40	IDBB	
CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1	14867822	LDTZGRUNQZRILA-UHFFFAOYSA-N	440.503	1.332	5	40	IDBB	
C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-]	1834335	NRHLIXCUGCGNFW-LLVKDONJSA-N	444.447	1.148	5	40	IDBB	
O=C(CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCOCC1	29966379	NEWWPRILJRHSGP-UHFFFAOYSA-N	447.370	1.503	5	40	IDBB	
CCOC(=O)C[C@@](C)(O)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	96011396	ZXTADYLSANDJKQ-GOSISDBHSA-N	429.495	1.886	5	40	IDBB	
CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408655543	HNXHDCXVJFLUSQ-RJYYBVGHSA-N	441.440	1.908	5	40	IDBB	
O=C(NCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)NCc1ccccc1	4380075	ICOSCGZMPCYXCB-UHFFFAOYSA-N	425.489	1.145	5	40	IDBB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1	20801134	FBEVVKIHOSNKJL-HZPDHXFCSA-N	447.448	1.075	5	40	IDBB	
O=C1CN(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2N1	9130813	XMJNABWNMHDDCU-UHFFFAOYSA-N	440.412	1.574	5	40	IDBB	
CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c([N+](=O)[O-])c1	9285852	CHFWROBWHKPAMB-UHFFFAOYSA-N	431.517	1.571	5	40	IDBB	
CS(=O)(=O)N(CC(=O)NCc1nc(-c2ccccc2)no1)c1cccc([N+](=O)[O-])c1	218306451	XNRGCFFXSZMVNT-UHFFFAOYSA-N	431.430	1.727	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(NC[C@H]4CCCO4)nn3)CC2)cc1	10213295	UWTPCQZHCCAXQE-MRXNPFEDSA-N	448.505	1.487	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1	6089035	QKDJIWFOEATBPK-UHFFFAOYSA-N	435.443	1.986	5	40	IDBB	
C[C@H]1CN(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2[N+](=O)[O-])C[C@@H](C)O1	8857433	YMGASQFYYDUPTE-BETUJISGSA-N	427.479	1.694	5	40	IDBB	
C[C@H](OC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccccc1	408639107	VETZQTUDPNYDJQ-ZFWWWQNUSA-N	425.397	1.903	5	40	IDBB	
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)N1CCOCC1	877031	OPPPRILVACZBSW-INIZCTEOSA-N	433.490	1.983	5	40	IDBB	
O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	2730906	NZOXTRRITCBJAU-UHFFFAOYSA-N	443.869	1.494	5	40	IDBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c1C	12853626	LSDUYUPGJJLIPK-MRXNPFEDSA-N	438.550	1.919	5	40	IDBB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	13523270	YODBYCPAGJDVOM-RYUDHWBXSA-N	437.453	1.067	5	40	IDBB	
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)n1	40398973	ZJFLUIOOEIPLDU-UHFFFAOYSA-N	430.424	1.963	5	40	IDBB	
O=C(CN1CCN(C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)CC1)Nc1nncs1	522679991	RMURPGAKEYFGQV-UHFFFAOYSA-N	443.445	1.097	5	40	IDBB	
O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2	9703539	CJJWBWSRETZEKS-UHFFFAOYSA-N	449.803	1.566	5	40	IDBB	
O=C(c1ccc(Cl)[nH]c1=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	95939762	GUEURNGNELQFLR-UHFFFAOYSA-N	426.838	1.083	5	40	IDBB	
COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc([N+](=O)[O-])c1	14817828	AOVMLRBYKVGPCT-UHFFFAOYSA-N	449.441	1.655	5	40	IDBB	
NC(=O)NCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O	2124614	LXZFBMZQXNSFRB-INIZCTEOSA-N	427.413	1.343	5	40	IDBB	biogenic
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)CC1	9742196	CFFVOHGZWLUNNQ-IBGZPJMESA-N	429.452	1.777	5	40	IDBB	
CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	95432838	AUIYZUBCWHBCNX-MRVPVSSYSA-N	426.676	1.774	5	40	IDBB	
COC[C@H](C)NS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1	9613868	JQMHCTKFPCFXLE-ZDUSSCGKSA-N	441.535	1.691	5	40	IDBB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1)N1CCCCC1	69946704	GNWXSSFSZWLRTO-UHFFFAOYSA-N	429.521	1.965	5	40	IDBB	
COc1ccc(NS(=O)(=O)c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)cc1	12767329	ANCYFUHSBWZJEI-UHFFFAOYSA-N	436.490	1.519	5	40	IDBB	
COc1cc(F)ccc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	609646854	LDQIOFALOYJGBY-UHFFFAOYSA-N	442.403	1.687	5	40	IDBB	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc([N+](=O)[O-])c2)c2c([nH]c(N)nc2=O)N1	8439389	CFROSEDAMXYLOG-ZFWWWQNUSA-N	427.417	1.814	5	40	IDBB	
Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-]	12764374	OAWHQYQMNCIFDY-UHFFFAOYSA-N	447.469	1.821	5	40	IDBB	
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	24865503	VRDUOFVJRFUAIS-LLVKDONJSA-N	434.430	1.385	5	40	IDBB	
O=C(c1ccnc(-n2cncn2)c1)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	95939692	OJVNNSZCNPCKFG-UHFFFAOYSA-N	433.432	1.799	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc(OC)c3OC)[C@H]2C1=O	101275877	VIMZKSWSPLNAGX-QAPCUYQASA-N	427.369	1.913	5	40	IDBB	
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	40388808	DWBHPHIZJDPXTM-FZMZJTMJSA-N	426.433	1.979	5	40	IDBB	
COc1ccc(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1S(N)(=O)=O	95455576	CGVZRRKNIFCCOK-UHFFFAOYSA-N	434.474	1.798	5	40	IDBB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1ccc([N+](=O)[O-])cc1	20801137	FBEVVKIHOSNKJL-JKSUJKDBSA-N	447.448	1.075	5	40	IDBB	
C[C@@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1	9127608	SRQYPSCLJFFAQZ-ZIAGYGMSSA-N	427.479	1.394	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc2[nH]c(=O)[nH]c2c1	9464597	MTAWZDAPSICLEW-UHFFFAOYSA-N	441.400	1.397	5	40	IDBB	
CNc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(Cl)cc2)cc1[N+](=O)[O-]	9581214	LXKVGSQLNQILSU-UHFFFAOYSA-N	426.882	1.927	5	40	IDBB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)COc1ccccc1[N+](=O)[O-]	24069507	CBTMYLPHBLGIPW-OAHLLOKOSA-N	436.490	1.805	5	40	IDBB	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@]34O	1711021	NMDDWSIRDRACCC-YHEJZOPYSA-N	425.505	1.574	5	40	IDBB	in-vitro
COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)O)c([N+](=O)[O-])cc1OC	2157814	AIXGEAWIEDNXCV-ZSOIEALJSA-N	429.385	1.584	5	40	IDBB	
COC(=O)[C@@H](C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2[nH]c1=O	17213248	WEWYFGNDCXOALE-MRXNPFEDSA-N	438.396	1.913	5	40	IDBB	
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCN(S(=O)(=O)c2cccs2)CC1	32926809	OGQMMIYWNKRJJG-UHFFFAOYSA-N	447.498	1.989	5	40	IDBB	
COCCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21	100628018	JVECUJBJTBCUQI-OAHLLOKOSA-N	425.489	1.382	5	40	IDBB	aggregator
O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1	224433629	SXNGLGDDFIIHRC-UHFFFAOYSA-N	449.485	1.353	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O	12604021	SAXXYWUVAGQSQK-KBPBESRZSA-N	433.417	1.650	5	40	IDBB	
CN(C)CCNS(=O)(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1	9127473	JJHLAKCNWXKGMA-UHFFFAOYSA-N	449.518	1.562	5	40	IDBB	
Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-]	16250196	ISLMVSIJJXSQDG-UHFFFAOYSA-N	435.458	1.942	5	40	IDBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-]	2617146	IEJLCCKVLYGYLD-UHFFFAOYSA-N	433.398	1.140	5	40	IDBB	
C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	8852911	YWNODQDHMNCXND-HUUCEWRRSA-N	441.506	1.499	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	14398492	SOLWTVNCFXMIRB-UHFFFAOYSA-N	441.487	1.725	5	40	IDBB	
Cc1nn(CC(=O)NCCNC(=O)c2nc(-c3ccccc3F)no2)c(C)c1[N+](=O)[O-]	21454028	UIURWBBCVFMFBC-UHFFFAOYSA-N	431.384	1.143	5	40	IDBB	
CCOC(=O)C(C(=O)OCC)[C@@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	2194087	OZDJQRGJRNVVND-GJZGRUSLSA-N	425.459	1.860	5	40	IDBB	
COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	9507253	BIHJGEULGUPNCL-UHFFFAOYSA-N	427.366	1.185	5	40	IDBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC(=O)NC12CC3CC(CC(C3)C1)C2	14360147	HKNKAGGHPYASAX-UHFFFAOYSA-N	426.429	1.985	5	40	IDBB	
C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)C[C@@H](C)O1	57456731	AXSLYFJCYUFESI-HZPDHXFCSA-N	427.509	1.903	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408660260	NGKHNOLFQHAVAK-HHDFAXHISA-N	427.413	1.581	5	40	IDBB	
O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1	1669766	HIWGPUSFNWIYHO-UHFFFAOYSA-N	432.388	1.782	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1CCS(=O)(=O)C1	9139509	JMTDICAXHQNVSZ-LURJTMIESA-N	433.342	1.396	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1	10289186	VZNWSEWDENELSW-UHFFFAOYSA-N	439.515	1.907	5	40	IDBB	
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(CCOC)C(=O)N=C3O)[C@@H]2C1	17028524	JTTPYSVJXJKWNC-JXFKEZNVSA-N	431.449	1.213	5	40	IDBB	
COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	13001610	DNDLRZVZMGMEPH-UHFFFAOYSA-N	434.474	1.820	5	40	IDBB	
O=[N+]([O-])c1ccnn1CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1	40149260	KHZPQVHDHKULQQ-UHFFFAOYSA-N	430.284	1.518	5	40	IDBB	
COc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	12877393	ITQDHQBQRIZNBN-UHFFFAOYSA-N	434.474	1.820	5	40	IDBB	
O=[N+]([O-])c1ccc(N2CCN(c3nccs3)CC2)c(S(=O)(=O)N2CCOCC2)c1	24903551	WWTKSEFNHNCFHK-UHFFFAOYSA-N	439.519	1.399	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	9355946	DBDFEEFLACXYLR-OLPIVMHESA-N	430.369	1.169	5	40	IDBB	
COc1cccc2c(=O)c3c(O)cc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc3oc12	9047664	SUGUHSDLYHDSFE-LLVKDONJSA-N	433.438	1.343	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCN(C)CC1)S(C)(=O)=O	222371357	DJGXGTSVPPVFAZ-UHFFFAOYSA-N	428.511	1.360	5	40	IDBB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1[N+](=O)[O-]	15687360	YSDZKDIQNCUNRH-UHFFFAOYSA-N	445.457	1.626	5	40	IDBB	
CN1CCN([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1	9742243	CIGZCOMIMIACEY-IBGZPJMESA-N	429.452	1.777	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12	100237403	YJYKEMPJNIRDIO-DLRJPAPCSA-N	444.396	1.477	5	40	IDBB	
O=C([C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	9508477	GFPOJKQCWGCMGI-GOSISDBHSA-N	431.470	1.569	5	40	IDBB	
COC(=O)C(=O)[C@H](C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2nc1O	102946163	XIZZHMUBNKOJMX-AWEZNQCLSA-N	438.352	1.277	5	40	IDBB	
CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])CC1	84689396	YUZKWYDPGXHMCM-UHFFFAOYSA-N	439.538	1.913	5	40	IDBB	
COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(I)c1O	96624500	CJICHCSNGGGKMI-IHWYPQMZSA-N	431.142	1.873	5	40	IDBB	
COCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21	100758848	IWNZAKXOBVSVLH-UHFFFAOYSA-N	433.468	1.714	5	40	IDBB	biogenic
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O	102128574	SAXXYWUVAGQSQK-OKILXGFUSA-N	433.417	1.650	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408654250	GCSYHLJRJIBSOT-WPEKQRQUSA-N	445.428	1.505	5	40	IDBB	
C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2	9284208	CHDBZKZWDDDQKV-JTQLQIEISA-N	436.398	1.911	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(F)cc1	408652227	FXZYMPQQJVYAJU-LBPRGKRZSA-N	444.375	1.409	5	40	IDBB	
CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	8646802	ADIGLOSUGDFRGF-NRFANRHFSA-N	439.428	1.702	5	40	IDBB	
O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14271364	ZVRPXJHUOSCOLW-UHFFFAOYSA-N	442.457	1.728	5	40	IDBB	
C[C@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	139077946	DWBHPHIZJDPXTM-SMDDNHRTSA-N	426.433	1.979	5	40	IDBB	
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	9633056	GFKAGSYNDGVGOX-UHFFFAOYSA-N	425.397	1.884	5	40	IDBB	
C[C@H]1CN(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1	12730629	QEWSODQSJKALLH-PHIMTYICSA-N	426.417	1.969	5	40	IDBB	
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@@H]23)cc1OC	103521437	XYCWHSAQRUUPMK-FUHWJXTLSA-N	427.369	1.913	5	40	IDBB	
CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2	72295583	WGFRVIPGUWPDOS-UHFFFAOYSA-N	425.488	1.953	5	40	IDBB	
O=C1/C(=C\N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]	101189161	KKEMUZPWDLVBMU-YYTPVVGHSA-N	427.438	1.899	5	40	IDBB	
O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1[N+](=O)[O-]	9569983	CFACFQGAVGCCJB-UHFFFAOYSA-N	436.465	1.616	5	40	IDBB	
COC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	220394384	ZLVDPVROTCZCDK-CYBMUJFWSA-N	427.479	1.469	5	40	IDBB	
CS(=O)(=O)N(CC(=O)NCc1nc(-c2cccs2)no1)c1cccc([N+](=O)[O-])c1	218306696	VPQLEZQMXJUJBU-UHFFFAOYSA-N	437.459	1.789	5	40	IDBB	
CC1(C)OC[C@@H]([C@H]2OC(C)(C)O[C@H]2[C@@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O1	4823338	HXULFQLONCJNEW-SYAUCNOPSA-N	427.410	1.947	5	40	IDBB	
CN(C)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	32883798	NHXZUVKKJFFQTL-UHFFFAOYSA-N	429.458	1.961	5	40	IDBB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1	8825482	XLGLHKRHKIUXMW-LBPRGKRZSA-N	439.421	1.891	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	220409701	WTVZCQBFYKJAAC-ZDUSSCGKSA-N	427.479	1.551	5	40	IDBB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(N3CCCC3)nn2)CC1	10166280	VVRIEOVVXGQLPE-UHFFFAOYSA-N	427.421	1.856	5	40	IDBB	
NS(=O)(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	9717130	ZHUAGYYTOGJMDO-UHFFFAOYSA-N	434.474	1.051	5	40	IDBB	
O=C([C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	9508479	GFPOJKQCWGCMGI-SFHVURJKSA-N	431.470	1.569	5	40	IDBB	
C[C@@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-]	9551322	VCNKWEUUIUKWHB-GFCCVEGCSA-N	446.441	1.594	5	40	IDBB	
CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1	89991180	UUUZTXHPMSSNAX-UHFFFAOYSA-N	449.485	1.905	5	40	IDBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCOCC1	8987482	IHJNHCVNAFKZJJ-WBMJQRKESA-N	441.868	1.793	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	9715379	KRGNILZHPSWMTC-UHFFFAOYSA-N	434.474	1.934	5	40	IDBB	
O=[N+]([O-])c1ccc2c(c1)nc(S[C@@H]1CCS(=O)(=O)C1)n2[C@H]1CCS(=O)(=O)C1	16431436	OQLUXNIVAGDCHF-NWDGAFQWSA-N	431.517	1.583	5	40	IDBB	
O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1O	20153313	LVLYFQQSHSUKHT-UHFFFAOYSA-N	446.441	1.962	5	40	IDBB	
COc1cc2c(cc1OC)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C(=O)C2=O	32935490	JHJYGLQWOYGXGE-UHFFFAOYSA-N	426.429	1.921	5	40	IDBB	
Cc1noc(C)c1S(=O)(=O)N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	57364643	VWYOTWLLSSRTTO-ZDUSSCGKSA-N	437.478	1.533	5	40	IDBB	
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3ccc([N+](=O)[O-])cn3)C2)CC1	79061608	UNVUNGPSGIIJIP-UHFFFAOYSA-N	427.483	1.061	5	40	IDBB	
CNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	12745600	UFTMUNSNQFXIBH-INIZCTEOSA-N	447.469	1.618	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	224221630	WCFNRKIRTKYOPD-UHFFFAOYSA-N	429.476	1.202	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21	13671177	NJDHRMUXPYVPSZ-UHFFFAOYSA-N	425.488	1.905	5	40	IDBB	
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c1	96012703	ZFPNCRNNAZJSQL-UHFFFAOYSA-N	445.413	1.428	5	40	IDBB	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)c2c([nH]c(N)nc2=O)N1	8439390	CFROSEDAMXYLOG-DZGCQCFKSA-N	427.417	1.814	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1	22532951	HJZPWCKXRVVGBU-UHFFFAOYSA-N	439.515	1.740	5	40	IDBB	
CCN1CCN(C(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)CC1	409324739	UTZUBMCSEYLEAE-UHFFFAOYSA-N	432.502	1.954	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NCCN1C(=O)CSC1=O	8825502	WUNDWZSJDYBTHF-UHFFFAOYSA-N	436.446	1.163	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(N)=O)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O	9312174	BFKGBFCJAUDESU-YRXWBPOGSA-N	434.408	1.604	5	40	IDBB	
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2nnnn2C)cc1=O	10254836	JWNYNACBZGYTGM-UHFFFAOYSA-N	431.434	1.220	5	40	IDBB	
COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OC	35974091	KEVXQYVXTVVSMH-FOGDFJRCSA-N	426.428	1.619	5	40	IDBB	
O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1	58157302	BQTRLBOGWKEXLY-UHFFFAOYSA-N	430.446	1.212	5	40	IDBB	
CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c([N+](=O)[O-])c1	12537241	PFERHIUEJIYJOJ-HNNXBMFYSA-N	439.538	1.026	5	40	IDBB	
CCCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	9352494	SGGABVMKJZXTBL-CQSZACIVSA-N	430.504	1.656	5	40	IDBB	
O=C(COc1ccccc1[N+](=O)[O-])NCCNC(=O)c1nc(-c2ccc(F)cc2)no1	21453408	YIDXXZIJDGMFJY-UHFFFAOYSA-N	429.364	1.709	5	40	IDBB	
Cn1ccnc1C(=O)c1ccc(N2CCCC[C@@H]2CCNS(C)(=O)=O)c([N+](=O)[O-])c1	79017462	PWVJDYNOKKOYDP-OAHLLOKOSA-N	435.506	1.858	5	40	IDBB	
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	3449028	YIDONNTWKSARRG-UHFFFAOYSA-N	442.453	1.972	5	40	IDBB	
CN(C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	22847062	VDFUZOXDJJQOOY-SNVBAGLBSA-N	435.252	1.160	5	40	IDBB	
CNC(=O)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1	40155595	JPRQSLWCAOFJKK-SFHVURJKSA-N	434.474	1.515	5	40	IDBB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1	12929988	XZMOOCJBLZJHRQ-AWEZNQCLSA-N	435.510	1.768	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)c([N+](=O)[O-])c1	10044499	SQGBUVYWGPSLFD-UHFFFAOYSA-N	434.540	1.143	5	40	IDBB	
CCOC(=O)CNC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-]	71134393	UZGYJKMJMWQKIS-UHFFFAOYSA-N	436.465	1.945	5	40	IDBB	
O=C(COC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl	108879028	HLUGKLIZWXVQBS-DIRVTVSLSA-N	433.804	1.537	5	40	IDBB	
Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	13856672	LRYUNZRUIKCBLF-INIZCTEOSA-N	425.397	1.823	5	40	IDBB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	9883247	NHDYBXHGYZUWSX-GFCCVEGCSA-N	439.421	1.891	5	40	IDBB	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCCc1nccn1Cc1ccccc1	26216896	YDXHPJKLNQHGSR-UHFFFAOYSA-N	435.440	1.924	5	40	IDBB	
CS(=O)(=O)CC1(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCOCC1	89484235	YKNZRMTZEKRYDG-UHFFFAOYSA-N	442.462	1.844	5	40	IDBB	
Cc1cccn2c(=O)c3cc(C(=O)NCC(C)C)c(=N)n(CCN4CCOCC4)c3nc12	2430532	AHLFGOGYDZSTBK-UHFFFAOYSA-N	438.532	1.155	5	40	IDBB	
Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1[N+](=O)[O-]	12784260	KFQVSNOMRBSGDW-UHFFFAOYSA-N	425.488	1.916	5	40	IDBB	
Cc1ccc(Nc2nc(N)nc(CN[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1	23409277	TWLLHJSIKBKEEP-WMZOPIPTSA-N	425.449	1.598	5	40	IDBB	
COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2OC)cc1OC	224810453	ZDGSTUPFLULIFP-UHFFFAOYSA-N	426.403	1.901	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408654242	GCSYHLJRJIBSOT-JNTCMIMUSA-N	445.428	1.505	5	40	IDBB	
O=C(COc1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	9754317	GSBSMSWRPQRVKS-UHFFFAOYSA-N	441.412	1.785	5	40	IDBB	
COc1ccc2oc3cc(OCC(=O)N[C@@H]4CCS(=O)(=O)C4)cc(O)c3c(=O)c2c1	13655118	QDDJXNFQJSBRPX-LLVKDONJSA-N	433.438	1.343	5	40	IDBB	biogenic
NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	9373124	FNUCHBVOYAADTJ-KRWDZBQOSA-N	425.401	1.837	5	40	IDBB	
CCOc1nn(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-]	36614511	SOWCQFFBZHSGTC-UHFFFAOYSA-N	437.478	1.685	5	40	IDBB	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)c3ccccc3C1=N2	2483874	STBQPUKVEJMZMN-JKSUJKDBSA-N	432.392	1.777	5	40	IDBB	
C[C@H]1CN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1	13147678	HDOREZNNQQLLOA-XHSDSOJGSA-N	443.522	1.228	5	40	IDBB	
COCCCNC(=O)CCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O	13573866	UDMHDLAOUSDEEC-UHFFFAOYSA-N	440.456	1.663	5	40	IDBB	
CCS(=O)(=O)N1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[N+](=O)[O-])CC1	72190702	ZVIBKNWPTOWFJA-UHFFFAOYSA-N	443.485	1.970	5	40	IDBB	
CC(=O)OCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21	100894033	YJZZLNGGIKRKNV-UHFFFAOYSA-N	446.467	1.407	5	40	IDBB	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O	9433924	SOSQBHQEJXJWKA-XMSQKQJNSA-N	435.440	1.541	5	40	IDBB	
O=C(OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCN(C(=O)C2CC2)CC1	25028915	PAMATPHNGNDGIO-UHFFFAOYSA-N	444.488	1.435	5	40	IDBB	
O=C(CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])Nc1ccncc1	58195239	TUFWBHCGGRRGDH-UHFFFAOYSA-N	435.462	1.451	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12	1009408	KLKDXVPTYGDOCQ-DICRZQGBSA-N	430.369	1.169	5	40	IDBB	
CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2[N+](=O)[O-])CC1	4143613	IHEUTERGJCQAHB-UHFFFAOYSA-N	445.545	1.858	5	40	IDBB	
Cc1ccc(-n2nnc3c(N4CCN(C(=O)c5ccc([N+](=O)[O-])o5)CC4)ncnc32)cc1	10256354	FTZGUHPFGQBKPP-UHFFFAOYSA-N	434.416	1.983	5	40	IDBB	
COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(N)c2=O)cc1	12348492	WSPWAOGMQKBWME-UHFFFAOYSA-N	442.457	1.591	5	40	IDBB	
NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)s1	23141567	ZXMYUQIJLGGYNS-UHFFFAOYSA-N	442.910	1.640	5	40	IDBB	
N=c1c(C(=O)NCCN2CCOCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	727968	YPWCXXFHARYVQC-UHFFFAOYSA-N	436.516	1.306	5	40	IDBB	
O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20153141	CEKUGBOARMHLMH-UHFFFAOYSA-N	446.441	1.962	5	40	IDBB	
COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(S(N)(=O)=O)ccc21	100872923	JAVINNBKMAKHOV-ICFOKQHNSA-N	426.432	1.239	5	40	IDBB	
CC(C)(C)c1noc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1	12999044	FMIGOPFFPJLFAO-UHFFFAOYSA-N	426.451	1.875	5	40	IDBB	
COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	408636788	CHAAWUWKQMRIKY-AWEZNQCLSA-N	441.396	1.523	5	40	IDBB	
O=C1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc2c(c1)OCO2	100210043	YSNXEFYCNYWGIU-MRXNPFEDSA-N	439.428	1.609	5	40	IDBB	
O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	15928543	JIHQPWLUYFSWGH-UHFFFAOYSA-N	446.441	1.036	5	40	IDBB	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	575421844	RZCKIAWLJOQXFS-QWRGUYRKSA-N	430.697	1.336	5	40	IDBB	
COc1ccc2oc3cc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc(O)c3c(=O)c2c1	13655120	QDDJXNFQJSBRPX-NSHDSACASA-N	433.438	1.343	5	40	IDBB	biogenic
CCc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(=O)n(C)c(=O)n(C)c2n1	11758075	JZNCZNCGRVGWBP-UHFFFAOYSA-N	430.446	1.229	5	40	IDBB	
CC(=O)O[C@@H]1CO[C@@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	33707843	WJKSISZAVTVGCU-VQHPVUNQSA-N	442.333	1.033	5	40	IDBB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	15633859	VWCVDLZUORVJNV-UHFFFAOYSA-N	430.446	1.987	5	40	IDBB	
Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	19832483	GKRONYVNDOTTDN-UHFFFAOYSA-N	439.472	1.416	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1	408663458	YIJFSBWWQFBTAF-CQSZACIVSA-N	426.385	1.270	5	40	IDBB	
CCOC(=O)C(C(=O)OCC)[C@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	2194089	OZDJQRGJRNVVND-HUUCEWRRSA-N	425.459	1.860	5	40	IDBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccc(N2CCOCC2)nc1	12225047	CZVRKUAHVYXSPY-UHFFFAOYSA-N	441.444	1.831	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccn2)CC1	8860848	JXZWHAKFHXVKPG-UHFFFAOYSA-N	433.490	1.337	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222517722	VSDCBKJROSKBKL-INIZCTEOSA-N	442.494	1.440	5	40	IDBB	
CN(C[C@@H]1COc2ccccc2O1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12683159	YRVGZIMQSCPLRM-CYBMUJFWSA-N	425.397	1.879	5	40	IDBB	
Cc1cc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1	608926870	JSPSQDHCVXIAIL-UHFFFAOYSA-N	426.418	1.865	5	40	IDBB	
Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	16249194	CGDAEXUHAAORTE-UHFFFAOYSA-N	435.487	1.484	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c1	40114693	MWXWUESGWVSDQH-WMLDXEAASA-N	426.495	1.157	5	40	IDBB	
O=C(NCCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])o1	11796276	UPTXJYHETJBNOV-UHFFFAOYSA-N	440.453	1.599	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1NCCc1ccccn1	25784528	JMORUNZFNQQDNQ-UHFFFAOYSA-N	435.506	1.255	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	408659686	MPPWOVQWXQMIFQ-DHMYTKHGSA-N	429.429	1.805	5	40	IDBB	
Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1	12757215	SYKQLCNPXNAJCS-UHFFFAOYSA-N	433.486	1.956	5	40	IDBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N1CCN(Cc2ccccc2F)CC1	16211895	VAETUAROMGGQQB-UHFFFAOYSA-N	426.404	1.674	5	40	IDBB	
CN(C)c1ccc(C(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)cc1[N+](=O)[O-]	24096781	YTOOXRVUXSIFQR-UHFFFAOYSA-N	436.472	1.855	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408655683	ICVYDAGXJYTJDE-LSLOVBDISA-N	431.401	1.116	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1	408670332	XCKPRUHBUPYDLN-CYBMUJFWSA-N	426.385	1.270	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCOC2=O)c1	9335470	RZOJVULTFKIQGJ-MRXNPFEDSA-N	436.398	1.877	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(F)cc1	408652225	FXZYMPQQJVYAJU-GFCCVEGCSA-N	444.375	1.409	5	40	IDBB	
O=C(Cc1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12577016	OVAQKVIGELONGH-UHFFFAOYSA-N	447.469	1.442	5	40	IDBB	
Cc1csc2nc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc(=O)n12	24168327	KAYAHOWLRYQPLD-UHFFFAOYSA-N	449.514	1.479	5	40	IDBB	
O=C(CN1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1)Nc1nncs1	95456936	MNEPONMOECXXGI-UHFFFAOYSA-N	428.272	1.365	5	40	IDBB	
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	3624411	GUKMLDDVRLIMLI-JOYOIKCWSA-N	433.442	1.774	5	40	IDBB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	9741998	KXBSQPHLSBCTGR-LJQANCHMSA-N	429.452	1.777	5	40	IDBB	
O=C(c1ccc(-c2nnco2)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	32727629	YHAXMEJOQZPYJD-UHFFFAOYSA-N	443.441	1.792	5	40	IDBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	13120388	JEWNYWIRCXUNKJ-MRXNPFEDSA-N	447.425	1.705	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCC(NS(=O)(=O)CC)CC2)c([N+](=O)[O-])c1	32825102	WNMJFGDCCAIYHS-UHFFFAOYSA-N	448.567	1.533	5	40	IDBB	
Cc1cc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1[N+](=O)[O-]	2653530	HUFNYQQRJWFTSD-UHFFFAOYSA-N	427.369	1.390	5	40	IDBB	
COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CSc2nncn2C)cc1=O	10254680	CBUZXPZJVYQAQZ-UHFFFAOYSA-N	430.446	1.825	5	40	IDBB	
CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCN2CCOCC2)c1=N	2426437	VHJJCZMILNGKLL-UHFFFAOYSA-N	438.532	1.299	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c([N+](=O)[O-])c1	15056216	MCHARNXYXCURPO-ROUUACIJSA-N	431.537	1.964	5	40	IDBB	
CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225197332	LJGYKHGCWUKERS-HNNXBMFYSA-N	448.501	1.524	5	40	IDBB	
Cc1c(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-]	12540807	ZBZOYMWGYMBHKK-HXUWFJFHSA-N	440.456	1.968	5	40	IDBB	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	8439597	ZGXJQYYNKIWLEG-YVEFUNNKSA-N	427.417	1.901	5	40	IDBB	
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc21	65264302	TYVZUNMGZWRMIX-UHFFFAOYSA-N	431.474	1.296	5	40	IDBB	
O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc([N+](=O)[O-])cc1	95385691	SAPZHIUSKXFJJB-UHFFFAOYSA-N	441.444	1.967	5	40	IDBB	
Cn1c(=O)c2c(nc3n(Cc4cccnc4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O	9191680	MYLOCXHVBDTWMY-UHFFFAOYSA-N	431.412	1.705	5	40	IDBB	
COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	8884494	FRVHYNVVNYRDBN-OAQYLSRUSA-N	440.412	1.465	5	40	IDBB	
CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1	22186337	ATCVJZTZSNGYND-UHFFFAOYSA-N	448.501	1.612	5	40	IDBB	
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	40160220	WDXORWGTWRLWMI-HNNXBMFYSA-N	446.485	1.246	5	40	IDBB	
Cc1nn(CC(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)c(C)c1[N+](=O)[O-]	3401672	RIGKZHIULMUYCM-UHFFFAOYSA-N	426.332	1.509	5	40	IDBB	
CCOC(=O)CCN(Cc1cccnc1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	48310786	BSUOUCJSWQEYAG-UHFFFAOYSA-N	442.428	1.697	5	40	IDBB	
COc1ccc(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N(C)C)ccc32)cc1[N+](=O)[O-]	11689646	AQTMLGAOMQCVGA-UHFFFAOYSA-N	435.414	1.645	5	40	IDBB	
O=[N+]([O-])c1ccc(NC[C@H]2COc3ccccc3O2)c(S(=O)(=O)N2CCOCC2)c1	34887762	SWBIRRBEZKUQNI-HNNXBMFYSA-N	435.458	1.868	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CCC(C)CC1)S(C)(=O)=O	10540925	WBCXATRDRVCUMW-UHFFFAOYSA-N	426.539	1.907	5	40	IDBB	
C[C@H]1CN(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1	12730635	QEWSODQSJKALLH-QWRGUYRKSA-N	426.417	1.969	5	40	IDBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	19644437	LSJOTGKGAOHWKT-UHFFFAOYSA-N	446.445	1.971	5	40	IDBB	
COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	408636789	CHAAWUWKQMRIKY-CQSZACIVSA-N	441.396	1.523	5	40	IDBB	
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-])C2=O	9545290	MQSFIUMTRJVPDK-JEOXALJRSA-N	436.396	1.716	5	40	IDBB	
Nc1nnc2nc(CC(=O)c3cccc([N+](=O)[O-])c3)/c(=C\C(=O)c3cccc([N+](=O)[O-])c3)n12	18251631	MWJQBGXOJKAMCA-MHWRWJLKSA-N	447.367	1.331	5	40	IDBB	
Cn1nnnc1Sc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]	8720256	VVWYXJXGCOTBHO-UHFFFAOYSA-N	436.431	1.769	5	40	IDBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2O)c1C	12535912	ILJQIUHGZWYQIU-UHFFFAOYSA-N	429.476	1.968	5	40	IDBB	
COCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	13134213	GMDYQSLNIISACW-UHFFFAOYSA-N	439.428	1.369	5	40	IDBB	
CCN1CCN(C(=O)[C@@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	32666638	LNDQMBKOXYCUDV-OAHLLOKOSA-N	442.538	1.557	5	40	IDBB	
CC(C)Cn1nnc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	17098809	GCCHBWMQSAXAQU-UHFFFAOYSA-N	434.482	1.201	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)c2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O	33354231	NYUQRXIIWRWVSM-UHFFFAOYSA-N	430.263	1.563	5	40	IDBB	
COC(=O)[C@@](C)(O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	97146537	DQNWSSYOJATSHS-KJBLDROHSA-N	429.495	1.788	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@H]2Cn2nnc3ccccc32)cc1	245227952	ZSRJDIACGJLBGP-IRXDYDNUSA-N	442.501	1.877	5	40	IDBB	
CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])cn2)NC(=O)N[C@@H]1c1ccc(OC)c(COC)c1	8782639	GIRCDECMNUUUSX-GOSISDBHSA-N	445.432	1.818	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c([N+](=O)[O-])c1	9613194	GUWPSRHWPFJDGW-UHFFFAOYSA-N	427.822	2.000	5	40	IDBB	
Cc1cccc(N2CCN(S(=O)(=O)CCCNC(=O)c3ccc([N+](=O)[O-])o3)CC2)c1	11796726	ISHQEYBYBCKLPB-UHFFFAOYSA-N	436.490	1.768	5	40	IDBB	
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)c(OC)c1	101251615	ONUKRBYQSGVVLA-AEFFLSMTSA-N	427.369	1.913	5	40	IDBB	
Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-]	12537428	AQTABMCKOULRIL-FQEVSTJZSA-N	440.456	1.968	5	40	IDBB	
Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)c([N+](=O)[O-])c1	12538086	BGIZVHVOZTUYHU-HXUWFJFHSA-N	440.456	1.968	5	40	IDBB	
O=C(COC(=O)CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1Cl	13097045	BUYBVESMLHZQNR-UHFFFAOYSA-N	445.812	1.848	5	40	IDBB	
NS(=O)(=O)c1ccc(NCCC(=O)OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1	9127016	AOBUPICJDJFFPO-UHFFFAOYSA-N	440.409	1.365	5	40	IDBB	
Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	408637012	FIXNHBJUNJSESQ-HNNXBMFYSA-N	425.397	1.823	5	40	IDBB	
CN(C[C@H]1COc2ccccc2O1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	12683164	YRVGZIMQSCPLRM-ZDUSSCGKSA-N	425.397	1.879	5	40	IDBB	
CNS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)N2CCN(C)CC2)c([N+](=O)[O-])c1	13040031	JDFOYFXENJQSQH-KRWDZBQOSA-N	439.563	1.965	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1	408657865	PNQHVKHSLPZEGZ-ZDUSSCGKSA-N	444.375	1.409	5	40	IDBB	
O=c1[nH]c(=S)[nH]c2c1[C@@H](c1cc([N+](=O)[O-])c(N3CCOCC3)cc1N1CCOCC1)O2	13523709	URWSGDPPIZGQRJ-MRXNPFEDSA-N	447.473	1.496	5	40	IDBB	
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1	23107552	AGGDHOPFTFFAJT-LJQANCHMSA-N	428.445	1.732	5	40	IDBB	
COCCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@@](C)(C(=O)OC)c1ccc(Br)cc1	72292784	GCWNQORUNDAGJT-JKIFEVAISA-N	429.267	1.978	5	40	IDBB	
COc1ccccc1C[C@H](NC(C)=O)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13565686	AYSJAIRCRLDEOH-SFHVURJKSA-N	441.488	1.831	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	409337124	XFEUZPMHNGKFNE-NBJYBMASSA-N	444.396	1.559	5	40	IDBB	
O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1S(=O)(=O)N1CCOCC1	25268616	UYRMWXRRVDNHGL-UHFFFAOYSA-N	434.474	1.458	5	40	IDBB	
Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	9513180	SQXZILPJFJZEGA-UHFFFAOYSA-N	448.501	1.998	5	40	IDBB	
C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)C[C@H](C)O1	57456729	AXSLYFJCYUFESI-HOTGVXAUSA-N	427.509	1.903	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	12848447	FDUYAYSFLPRUEE-UHFFFAOYSA-N	439.515	1.907	5	40	IDBB	
CCc1cnc2c(c1SCC(=O)Nc1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C	15883409	PJBYJRNKQSWWSL-UHFFFAOYSA-N	429.458	1.834	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)CC1	220029088	VKVVLXVGFLWTIL-UHFFFAOYSA-N	427.479	1.471	5	40	IDBB	
Cc1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(=O)n(-c2ccccc2)n1C	3352297	KLJNAGGJLNHGPE-UHFFFAOYSA-N	435.396	1.627	5	40	IDBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NCCS(=O)(=O)N1CCN(c2ccccc2)CC1	9570250	YBFIRROFFMXCDA-UHFFFAOYSA-N	432.502	1.406	5	40	IDBB	
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1	13138262	KXUPGFFFVIXPKW-UHFFFAOYSA-N	434.474	1.912	5	40	IDBB	
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12	16682633	CSWNUPOLUWUUAZ-FUHWJXTLSA-N	438.396	1.901	5	40	IDBB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	32755192	YHBLRTAOMGCUSQ-GJZGRUSLSA-N	446.551	1.124	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(S(N)(=O)=O)ccc1OC	9507250	OKSGKKNDZGQXRV-UHFFFAOYSA-N	439.402	1.055	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(N)=O)c1	9702406	UIVAPPMMTSSTQI-SECBINFHSA-N	441.393	1.574	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccco1	11691109	XJQDVCSVFUXMGA-CLCOLTQESA-N	436.424	1.806	5	40	IDBB	
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	9613463	AMDKBQVURSUDOU-UHFFFAOYSA-N	441.487	1.725	5	40	IDBB	
CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1	15700841	NHEVWNFCIVNUEU-QGZVFWFLSA-N	444.517	1.585	5	40	IDBB	
CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1	79104624	XDWCGENIJYFTSR-UHFFFAOYSA-N	427.451	1.451	5	40	IDBB	
O=C(COC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1Cl	103060851	HLUGKLIZWXVQBS-QEWLZKHVSA-N	433.804	1.537	5	40	IDBB	
CCn1cc(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)c(C(=O)NCCOC)n1	2731033	PRCAKFAPBUPESK-UHFFFAOYSA-N	447.374	1.350	5	40	IDBB	
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O	9087396	JDSGIYBMKCHFBE-LJQANCHMSA-N	449.467	1.883	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c1	40114688	MWXWUESGWVSDQH-PBHICJAKSA-N	426.495	1.157	5	40	IDBB	
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)n1	40398971	MSTIKZKSVMFPDU-UHFFFAOYSA-N	430.424	1.963	5	40	IDBB	
O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	84535867	BIEIUQDFFGXHKY-YLJYHZDGSA-N	436.472	1.788	5	40	IDBB	
COc1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccc(C)cc2)cc1[N+](=O)[O-]	33019690	IJKXTXHODMCPQF-UHFFFAOYSA-N	437.474	1.775	5	40	IDBB	
COC(=O)[C@H]1[C@H](C(=O)OC)Sc2[nH]c(=O)sc2[C@H]1c1cc([N+](=O)[O-])ccc1O	245238322	KEVXQYVXTVVSMH-HOSYDEDBSA-N	426.428	1.619	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(N)=O)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O	9312176	BFKGBFCJAUDESU-MKXGPGLRSA-N	434.408	1.604	5	40	IDBB	
O=c1cc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])nc2ccccn12	18034800	XLMRAFKBLRLAKZ-UHFFFAOYSA-N	430.442	1.966	5	40	IDBB	
O=C(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)N1CCN(S(=O)(=O)c2ccccc2)CC1	23055441	RDMOXRRNDWRCKX-UHFFFAOYSA-N	446.441	1.036	5	40	IDBB	
COC(=O)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	13097578	FRVHYNVVNYRDBN-NRFANRHFSA-N	440.412	1.465	5	40	IDBB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	224428753	CDQBAXCOFHHJRS-UHFFFAOYSA-N	435.458	1.425	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)/C=C/c2c(C)nn(C)c2C)CC1	12747958	GJAXQLUTKABNLA-BQYQJAHWSA-N	447.517	1.800	5	40	IDBB	
Cn1nnnc1-c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1	22893692	ZPNXDSZXCQMGKL-GFCCVEGCSA-N	425.380	1.916	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@@H]2Cn2nnc3ccccc32)cc1	13566566	ZSRJDIACGJLBGP-IAGOWNOFSA-N	442.501	1.877	5	40	IDBB	
CCOc1ccccc1NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	941669	LBOAHEDFVLOBMR-UHFFFAOYSA-N	427.369	1.771	5	40	IDBB	
COCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O	13573880	UGLQKIDQJKBUNJ-UHFFFAOYSA-N	440.456	1.663	5	40	IDBB	
CS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CCCCCC3=O)CC2)c([N+](=O)[O-])c1	8780187	JZYOPBMOXYKXLN-UHFFFAOYSA-N	438.506	1.050	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	100251640	DBDFEEFLACXYLR-ULMVMLMRSA-N	430.369	1.169	5	40	IDBB	
C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccccc2[N+](=O)[O-])C1	139083094	GDYGJZDLBYQZKW-VXGBXAGGSA-N	426.433	1.979	5	40	IDBB	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	3278693	RJBSPOOVQYCIKO-UHFFFAOYSA-N	434.474	1.691	5	40	IDBB	
COc1cc(/C=C2/NC(=S)NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-]	13546244	KVXWSZAFQMAXRK-DHZHZOJOSA-N	435.439	1.716	5	40	IDBB	
Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n(N)c2=O)cc1	27546162	OHULTVUIYQGVRU-UHFFFAOYSA-N	426.458	1.890	5	40	IDBB	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(CN2CCNCCNCCNCC2)cc1	68606279	GEFVPPCIDGNGSE-UHFFFAOYSA-N	441.532	1.536	5	40	IDBB	biogenic
COc1ccccc1OCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224058429	VXLWMNUPTZCSSM-UHFFFAOYSA-N	437.474	1.873	5	40	IDBB	
COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2cccnc2)c1=N	16742238	DCNYSCZUIFZEEG-UHFFFAOYSA-N	432.484	1.647	5	40	IDBB	
COC(=O)c1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])oc1C	9584895	LWGNACGOSJYKQH-UHFFFAOYSA-N	440.430	1.883	5	40	IDBB	
O=C(CN1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1)NCc1ccccc1	22092189	ULOWIGPWVFFJER-HXUWFJFHSA-N	428.489	1.269	5	40	IDBB	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(OC)cc2)c1=N	101075355	WAKSQAUETZNZGM-UHFFFAOYSA-N	447.495	1.952	5	40	IDBB	
O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccnc1Cl	3370112	FZNFLZMJPNWPLC-UHFFFAOYSA-N	432.776	1.811	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1[N+](=O)[O-]	408651759	DTQSEBULSIUMJS-HNNXBMFYSA-N	440.412	1.578	5	40	IDBB	
O=C(CCCNC(=O)C1CC1)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	89773083	MQGYNFRCVMITFN-UHFFFAOYSA-N	434.268	1.469	5	40	IDBB	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1Cc1ccccc1	9123231	OMAILDRIPQYTJF-GCJKJVERSA-N	436.424	1.621	5	40	IDBB	
CN1CCN(c2c([N+](=O)[O-])cc(C(=O)N3CC(=O)Nc4ccccc43)cc2[N+](=O)[O-])CC1	8432963	YNKLSVGHCVZHSA-UHFFFAOYSA-N	440.416	1.854	5	40	IDBB	
CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1	12852957	GJSPQJZTFRSBBV-UHFFFAOYSA-N	425.916	1.649	5	40	IDBB	
CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13150507	QIUXEISFJOAAMV-SFHVURJKSA-N	429.452	1.961	5	40	IDBB	
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc2c(c1)OCO2	9584220	JPAZGHHDLSZHNQ-JTQLQIEISA-N	441.352	1.490	5	40	IDBB	
O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	12551437	JUCPYSMZVZCNBJ-UHFFFAOYSA-N	441.469	1.927	5	40	IDBB	
CC(C)OC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C1=O	408535802	WNUKNOBPAVUMFT-NSIKDUERSA-N	434.430	1.773	5	40	IDBB	
COCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	9095366	VTCPZTZSTUHRCT-UHFFFAOYSA-N	429.476	1.710	5	40	IDBB	
O=C1/C(=C\N[C@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]	101189164	KKEMUZPWDLVBMU-RERGGYADSA-N	427.438	1.899	5	40	IDBB	
CN(C)c1ccc(S(=O)(=O)NCC(=O)NCCOc2ccccc2F)cc1[N+](=O)[O-]	12521997	UNSQIELOLIJCTR-UHFFFAOYSA-N	440.453	1.273	5	40	IDBB	
Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)c([N+](=O)[O-])c1	12538085	BGIZVHVOZTUYHU-FQEVSTJZSA-N	440.456	1.968	5	40	IDBB	
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCn1nc2n(c1=O)CCCC2	84077435	HASDYLBHFHEELA-UHFFFAOYSA-N	429.886	1.620	5	40	IDBB	
Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	23143663	KWEWAAYVXULPJH-UHFFFAOYSA-N	425.375	1.897	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(C)cc1)S(C)(=O)=O	22367180	MOHXJABOPJADOU-UHFFFAOYSA-N	437.474	1.873	5	40	IDBB	
O=c1[nH]c(=S)[nH]c2c1Cc1c(N3CCOCC3)cc(N3CCOCC3)c([N+](=O)[O-])c1O2	59442722	RCVUHNYCSIKMGD-UHFFFAOYSA-N	447.473	1.710	5	40	IDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21	19974087	ZXONRDFVCKGOPU-GFCCVEGCSA-N	427.421	1.177	5	40	IDBB	
O=[N+]([O-])c1ccc(N=c2[nH]c(N3CCOCC3)nc(=Nc3ccccc3)[nH]2)c2nonc12	408674944	NEWCYMOGHZSZNM-UHFFFAOYSA-N	435.404	1.484	5	40	IDBB	
O=C1C[C@H](C(=O)N2C[C@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1Cc1ccco1	604405395	RYCFQYZPRBQEMQ-KFWWJZLASA-N	426.429	1.344	5	40	IDBB	biogenic
COc1cc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	102592181	MMJJEBYDNMGCPS-CHWSQXEVSA-N	433.417	1.569	5	40	IDBB	
COCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cc(C)ccc3nc21	100628008	UIKGTPKXWIQKJJ-UHFFFAOYSA-N	432.484	1.799	5	40	IDBB	
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	408653511	IGRDAPDKZZTSRX-HNNXBMFYSA-N	440.412	1.578	5	40	IDBB	
CC(=O)N[C@@H](Cc1ccccc1F)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13150529	LIDPIDUGXAFOHO-SFHVURJKSA-N	429.452	1.961	5	40	IDBB	
CC[C@H](C(=O)NCCCN1CCOCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222539967	LMIICFXHKLOHRS-QGZVFWFLSA-N	442.538	1.286	5	40	IDBB	
O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(S(=O)(=O)N2CCOCC2)cc1	12576555	QVXKHBRHXCDFCC-UHFFFAOYSA-N	436.402	1.776	5	40	IDBB	
O=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	12782786	BYQXXWPEOXVLJX-UHFFFAOYSA-N	429.454	1.904	5	40	IDBB	
CC(C)[C@H](O)C1(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1	95463015	VGILDLOATPKQNO-SFHVURJKSA-N	426.539	1.740	5	40	IDBB	
COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	2786722	IWZVCHWESLCVIP-UHFFFAOYSA-N	435.458	1.515	5	40	IDBB	
CS(=O)(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1	9662964	OKZWBVUMZMKKEV-UHFFFAOYSA-N	434.474	1.694	5	40	IDBB	
CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O1	4823339	HXULFQLONCJNEW-OJLVUWQFSA-N	427.410	1.947	5	40	IDBB	
COc1ccc(OC)c(Nc2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])c1	20267712	JNKIULTVEXNDCY-UHFFFAOYSA-N	433.469	1.862	5	40	IDBB	
O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	12562830	RSTORDUIZIHZFX-UHFFFAOYSA-N	430.486	1.998	5	40	IDBB	
O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	26940969	ACBVKDZVSPDWAA-UHFFFAOYSA-N	446.441	1.036	5	40	IDBB	
CS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(Cl)nn3)CC2)cc([N+](=O)[O-])c1	83987632	GPKGVPLNNHXPMB-UHFFFAOYSA-N	425.854	1.404	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	12917727	YXJSBZKZSXFMOI-UHFFFAOYSA-N	439.515	1.989	5	40	IDBB	
COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N2CCOCC2)=N1	9344727	FDUXMQIHPKKHBF-HNNXBMFYSA-N	445.379	1.996	5	40	IDBB	
CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-]	9509418	QJBJUIVMEXBMHT-UHFFFAOYSA-N	440.409	1.236	5	40	IDBB	
Cc1ccc(Nc2nc(N)nc(CN[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1	23409280	TWLLHJSIKBKEEP-AEFFLSMTSA-N	425.449	1.598	5	40	IDBB	
COc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	9740828	RKKMBQZCOQDIME-HXUWFJFHSA-N	434.518	1.870	5	40	IDBB	
O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	22629103	URFHLKMLFXCHAG-UHFFFAOYSA-N	441.469	1.927	5	40	IDBB	
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1	6551472	HDGIJEHBWLESDJ-UHFFFAOYSA-N	436.516	1.133	5	40	IDBB	
Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccco1	9599488	IAFLFQXXGNOFRP-UHFFFAOYSA-N	430.402	1.836	5	40	IDBB	
O=[N+]([O-])c1ccc2c(c1)nc(S[C@H]1CCS(=O)(=O)C1)n2[C@H]1CCS(=O)(=O)C1	16431442	OQLUXNIVAGDCHF-RYUDHWBXSA-N	431.517	1.583	5	40	IDBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N1CCCC1	16688904	HESCEDCXXDIULS-SOFGYWHQSA-N	430.417	1.954	5	40	IDBB	
O=C(c1csc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	40143472	FGJAILTYRMYSRW-UHFFFAOYSA-N	426.432	1.711	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1N=CC=C[C@H]21	103988574	NBMDFEYMLHFTAW-BASLNEPJSA-N	426.429	1.933	5	40	IDBB	
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	9539762	RCNVZZREUHJFNL-ZBFHGGJFSA-N	434.426	1.145	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1cccc(C)c1)S(C)(=O)=O	223881786	ZNDANIBEYXOVLJ-UHFFFAOYSA-N	437.474	1.873	5	40	IDBB	
CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	10386098	JCRNRUOAAYTVCW-CQSZACIVSA-N	446.464	1.374	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21	12536859	IWVHYQCYFJXLIL-HXUWFJFHSA-N	440.456	1.968	5	40	IDBB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	8880345	MEGXCQIYKSPIRO-UHFFFAOYSA-N	439.421	1.845	5	40	IDBB	
Cn1nnnc1Sc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1[N+](=O)[O-]	9592954	VIIJPDPINMKYKP-UHFFFAOYSA-N	449.449	1.195	5	40	IDBB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)NC1CC1	9715398	ZDFYCIMKSKPYRO-UHFFFAOYSA-N	445.881	1.471	5	40	IDBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	12521696	XJPRJXNEDAJIFM-BETUJISGSA-N	434.540	1.223	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cc1	13856678	KVTZOJSBMKWDEQ-AWEZNQCLSA-N	429.360	1.653	5	40	IDBB	
Cc1cc(=O)c(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)nn1-c1ccccc1[N+](=O)[O-]	69389148	TXFBKVWXDHNGRX-INIZCTEOSA-N	445.501	1.736	5	40	IDBB	
Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	9539465	XWSLPTCLYVPSJZ-UHFFFAOYSA-N	441.487	1.725	5	40	IDBB	
COCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21	100757638	UTQGDGXAIOYSJX-UHFFFAOYSA-N	447.451	1.434	5	40	IDBB	biogenic
COCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCCOC(C)C)c1=N	101119914	MRZPHHQNTRDWTJ-UHFFFAOYSA-N	427.505	1.628	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(NC(C)=O)c1)S(C)(=O)=O	408628533	YOCGPWCALYLLLG-UHFFFAOYSA-N	436.446	1.967	5	40	IDBB	
COC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	408653608	IXPXMEKFINPEPU-CQSZACIVSA-N	441.396	1.916	5	40	IDBB	
CCN1CCN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])CC1	4305995	NDJRECHYTIGUJV-UHFFFAOYSA-N	426.525	1.431	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CCCCC1)S(C)(=O)=O	10278734	VOSAZBUTNXMBSX-UHFFFAOYSA-N	428.511	1.362	5	40	IDBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C1=O	409247228	COHDAUCMMNCKBZ-RIYZIHGNSA-N	442.384	1.849	5	40	IDBB	
Cn1c(=O)c2c(nc3n(-c4ccc(O)cc4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O	1294596	MIZONEYJHDGZID-UHFFFAOYSA-N	432.396	1.956	5	40	IDBB	
O=C(CCN1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1)NC1CC1	89769934	HTWKHDXATUWKMJ-UHFFFAOYSA-N	432.449	1.382	5	40	IDBB	
O=C(CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1[N+](=O)[O-]	8742098	GKOQFEGRWSDJRZ-UHFFFAOYSA-N	442.432	1.698	5	40	IDBB	
Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)o1	8879552	RNSHKSVEKQRCTC-UHFFFAOYSA-N	429.842	1.979	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	16347122	DBDFEEFLACXYLR-NLDJYOPPSA-N	430.369	1.169	5	40	IDBB	
CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1	67286267	AJYODRQWECQSCX-GOSISDBHSA-N	446.460	1.605	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N[C@H]1CCS(=O)(=O)C1	9510891	KTEBKPVSNYQHFS-HNNXBMFYSA-N	447.469	1.667	5	40	IDBB	
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	102773666	FDFUIIOYODATOM-WWAULLPKSA-N	430.461	1.998	5	40	IDBB	
CCOCCCn1c(=O)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc21	16741729	FFGQIJIJTMNCQL-HNNXBMFYSA-N	426.473	1.345	5	40	IDBB	
CNc1cc2ncn(CC(=O)Nc3ccc4c(c3)CCN4C(C)=O)c(=O)c2cc1[N+](=O)[O-]	32850542	QRKJNOSGCROQGC-UHFFFAOYSA-N	436.428	1.894	5	40	IDBB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)c1	8927604	KQEUYEXFCRTHIL-INIZCTEOSA-N	425.397	1.823	5	40	IDBB	
CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	95432839	AUIYZUBCWHBCNX-QMMMGPOBSA-N	426.676	1.774	5	40	IDBB	
NS(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1	10187946	USZUZPDLVOPGJE-UHFFFAOYSA-N	428.426	1.705	5	40	IDBB	
O=c1n(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)nc2ccccn12	48361785	NRJYDPKGISVLPY-UHFFFAOYSA-N	432.462	1.301	5	40	IDBB	
Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-]	10490706	HJKPHKBMPQQSHO-UHFFFAOYSA-N	444.447	1.068	5	40	IDBB	
O=C(CCN1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)Nc1ccccc1[N+](=O)[O-]	26228382	LPEGITVAQNDKGE-FQEVSTJZSA-N	440.456	1.908	5	40	IDBB	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018282	JNPDFZKLVBIOEH-HZPDHXFCSA-N	432.389	1.176	5	40	IDBB	
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	107974599	OLCRLQRRHKPIBX-UHFFFAOYSA-N	431.405	1.895	5	40	IDBB	
CN(CC(=O)N1CCN(Cc2ccccc2)CC1)c1nc2ccccn2c(=O)c1[N+](=O)[O-]	12822875	IZSBQMRQGQERNK-UHFFFAOYSA-N	436.472	1.383	5	40	IDBB	
O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12558947	XAHMDTUVLOBGGU-UHFFFAOYSA-N	441.469	1.927	5	40	IDBB	
COC(=O)[C@@H](C)Sc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	16890879	XMQKDNMMEQQLFB-SECBINFHSA-N	431.430	1.256	5	40	IDBB	
COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1	216788748	IWVQWYGEQXCSHH-UHFFFAOYSA-N	434.474	1.792	5	40	IDBB	
COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1O	409200042	FTUBQDDZSWFSRV-VGOFMYFVSA-N	430.348	1.980	5	40	IDBB	
Cc1cccc(N2CCN3c4ccc([N+](=O)[O-])cc4CC4(C(=O)NC(=O)NC4=O)[C@@H]3C2)c1C	16976690	KBIBAPSUHHWJRS-IBGZPJMESA-N	449.467	1.815	5	40	IDBB	
C[C@H]1CCCN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	8156432	GWHXNEACRWHVJR-HOTGVXAUSA-N	427.523	1.851	5	40	IDBB	
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-])C2=O	9545287	MQSFIUMTRJVPDK-NSPYISDASA-N	436.396	1.716	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	220383299	WUPUTYRYUVWBEP-AWEZNQCLSA-N	442.494	1.358	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1	13004588	RYAJAHGDUHNICB-UHFFFAOYSA-N	425.488	1.726	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)C(C)(C)C)N1N=CC=C[C@H]21	15974989	NBMDFEYMLHFTAW-VDNDLQMASA-N	426.429	1.933	5	40	IDBB	
CN1CCN(c2ccc(CNC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cn2)CC1	23318092	XVCZDRNDZDXLPU-UHFFFAOYSA-N	440.504	1.508	5	40	IDBB	
O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl	103060847	HLUGKLIZWXVQBS-CVSRONHPSA-N	433.804	1.537	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222522296	NLTTWRXALCOVEJ-KRWDZBQOSA-N	441.506	1.941	5	40	IDBB	
O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)N1CCOCC1	877028	OPPPRILVACZBSW-MRXNPFEDSA-N	433.490	1.983	5	40	IDBB	
O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)N1CCOCC1	2720063	VSIFOVHVJGRKTB-UHFFFAOYSA-N	434.499	1.740	5	40	IDBB	
CC(C)(C)OC(=O)N1CCN(CCCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1	36391580	RNBFJGNFIWLNGP-UHFFFAOYSA-N	432.481	1.957	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)C(C)(C)C	101176682	BTWCGUSSPMYFJJ-MOHJPFBDSA-N	426.473	1.946	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222517668	VSDCBKJROSKBKL-MRXNPFEDSA-N	442.494	1.440	5	40	IDBB	
CCN1CCN(C(=O)[C@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	32666639	LNDQMBKOXYCUDV-HNNXBMFYSA-N	442.538	1.557	5	40	IDBB	
CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222541940	HYOCPAYRDNFHHJ-INIZCTEOSA-N	441.506	1.859	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	16347425	WOJKNXPEHWRBCD-UHFFFAOYSA-N	435.458	1.942	5	40	IDBB	
COc1cccc(C(=O)NCCNC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	32803057	RJVRLPLDDGEOSI-UHFFFAOYSA-N	427.461	1.865	5	40	IDBB	
C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260901621	MODAKNIIJXTLDU-CJNGLKHVSA-N	435.458	1.706	5	40	IDBB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	13062548	OYOZRXIYOBNCAX-GFCCVEGCSA-N	439.421	1.891	5	40	IDBB	
O=C(COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)NC(=O)NCc1ccco1	9630667	BVWNAYCEWZRIRP-UHFFFAOYSA-N	438.780	1.140	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O	18089153	ZQDIOHKJMQOZBB-ZIAGYGMSSA-N	431.401	1.426	5	40	IDBB	
COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCN(C)CC1	216785739	XLPRYWINNANSCZ-UHFFFAOYSA-N	434.474	1.792	5	40	IDBB	
C[C@@H]1CN(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2[N+](=O)[O-])C[C@@H](C)O1	8857435	YMGASQFYYDUPTE-CHWSQXEVSA-N	427.479	1.694	5	40	IDBB	
Cc1cc(NC(=O)COC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)c([N+](=O)[O-])cc1C	9562379	KJIMAYVJIVDQFM-UHFFFAOYSA-N	426.385	1.397	5	40	IDBB	
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccccc1[N+](=O)[O-]	9569884	PKSUICISFQBYJJ-UHFFFAOYSA-N	436.465	1.616	5	40	IDBB	
NC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1	12528425	UEGWSJDARFMYSX-UHFFFAOYSA-N	430.895	1.920	5	40	IDBB	
CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])N(C)C	12634080	UOVJAJJKJVECLL-INIZCTEOSA-N	427.571	1.919	5	40	IDBB	
CNC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2	12745607	UFTMUNSNQFXIBH-MRXNPFEDSA-N	447.469	1.618	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	22229416	ZPPYCVKZLNMPRW-UHFFFAOYSA-N	448.501	1.923	5	40	IDBB	
NS(=O)(=O)c1cc(S(N)(=O)=O)c(NSc2ccccc2[N+](=O)[O-])cc1Cl	16450552	XLYKEDFMIFVEJD-UHFFFAOYSA-N	438.896	1.662	5	40	IDBB	
C[C@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccccc1	408639103	VETZQTUDPNYDJQ-DZGCQCFKSA-N	425.397	1.903	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1	9639595	YUJAUKAADXAITE-UHFFFAOYSA-N	436.446	1.821	5	40	IDBB	
CN1CCN([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1	9741992	KXBSQPHLSBCTGR-IBGZPJMESA-N	429.452	1.777	5	40	IDBB	
Cn1cnnc1Sc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1[N+](=O)[O-]	13097050	OPFAMHFKORWDDO-UHFFFAOYSA-N	439.413	1.794	5	40	IDBB	
O=C(NCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	224428837	YGGXIZUMVKZDAO-UHFFFAOYSA-N	435.458	1.425	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12	8396844	KLKDXVPTYGDOCQ-OLPIVMHESA-N	430.369	1.169	5	40	IDBB	
CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	14084717	JJWZKBTWNJTMPN-HXUWFJFHSA-N	425.401	1.959	5	40	IDBB	
COc1ccc(S(=O)(=O)N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)cc1	29187070	QPVHVYFMQXHPPC-UHFFFAOYSA-N	445.457	1.351	5	40	IDBB	
COc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	218306196	FGYYKBFCZLKLEL-CQSZACIVSA-N	437.474	1.953	5	40	IDBB	
O=C(O)CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc21	12762492	XZURHZKYKZCAPX-UHFFFAOYSA-N	425.350	1.345	5	40	IDBB	
CN1CCN(C(=O)C2CCN(C(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)CC2)CC1	32928211	OTVCVBRRHJLQBS-UHFFFAOYSA-N	445.520	1.058	5	40	IDBB	
C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	40388900	GDYGJZDLBYQZKW-RYUDHWBXSA-N	426.433	1.979	5	40	IDBB	
Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1[N+](=O)[O-]	224433195	ZDZBXUKIEZGXCQ-UHFFFAOYSA-N	449.485	1.733	5	40	IDBB	
Cc1c(OCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)ccc2c1oc(=O)c1ccccc12	2117988	IORPODXKAPDURQ-FQEVSTJZSA-N	440.452	1.975	5	40	IDBB	biogenic
Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n(C)c1=O	12580932	POIGCWQPCPSDMK-UHFFFAOYSA-N	441.429	1.104	5	40	IDBB	
COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	16189697	AOVXSXHAMSZNHD-KUHUBIRLSA-N	428.788	1.765	5	40	IDBB	
O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	107367059	BIEIUQDFFGXHKY-PXNSSMCTSA-N	436.472	1.788	5	40	IDBB	
COCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC(C)C)c1=N	101231251	DIXNCOBGQPLHPD-UHFFFAOYSA-N	427.505	1.628	5	40	IDBB	
O=C(NCCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cccc([N+](=O)[O-])c1	17095352	PVEQPZFFTPADCA-UHFFFAOYSA-N	427.417	1.691	5	40	IDBB	
CCOC(=O)c1ccsc1NC(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	24749382	FIGPYADBEPAIAD-UHFFFAOYSA-N	429.432	1.498	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	226650710	YPHCMQZMZYELOI-IDENBPMYSA-N	430.369	1.250	5	40	IDBB	
COc1ccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1	13150527	NUYAWHIPYCLUBY-IBGZPJMESA-N	441.488	1.831	5	40	IDBB	
O=C(NCCn1ncc2c(=O)n(Cc3cccc(F)c3)cnc21)c1ccc([N+](=O)[O-])o1	9016753	PPRNCPUYBLEQBG-UHFFFAOYSA-N	426.364	1.712	5	40	IDBB	
Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21	408529173	HEDWSXDWXRZELO-UHFFFAOYSA-N	447.473	1.423	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@H]12	9356239	KYLKCLHWONXPPH-OLPIVMHESA-N	430.369	1.169	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1	12537552	LVCXSHKCGQBSTR-UHFFFAOYSA-N	442.519	1.885	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408655681	ICVYDAGXJYTJDE-JLMKVHRTSA-N	431.401	1.116	5	40	IDBB	
COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4[N+](=O)[O-])nc32)c(OC)c1	9739211	PCLLSDPPUGQWTC-UHFFFAOYSA-N	436.384	1.800	5	40	IDBB	
Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1[N+](=O)[O-]	19974077	VSKXHWAEAHSRKM-GFCCVEGCSA-N	427.421	1.177	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCCN3C[C@H]2Cn2nnc3ccccc32)cc1	36646008	ZSRJDIACGJLBGP-SJORKVTESA-N	442.501	1.877	5	40	IDBB	
C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225274640	MODAKNIIJXTLDU-CZUORRHYSA-N	435.458	1.706	5	40	IDBB	
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)c2c(n(C)c(=O)n(C)c2=O)N1	1467475	ZAXXTYDGQNYEPC-QGZVFWFLSA-N	448.439	1.857	5	40	IDBB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)c1	8927598	ITSIGLKZOHZQGI-INIZCTEOSA-N	425.397	1.823	5	40	IDBB	
COc1ccc(C(=O)C[C@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1[N+](=O)[O-]	19991139	OYDYCCLURVHKOO-JOCHJYFZSA-N	441.440	1.700	5	40	IDBB	
O=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	21589164	NQPRWOLSANWHBL-UHFFFAOYSA-N	431.426	1.905	5	40	IDBB	
O=C(CSc1nnc(NC(=O)CN2CCOCC2)s1)Nc1ccc([N+](=O)[O-])cc1	19818528	LBZBVPZHOUIVAD-UHFFFAOYSA-N	438.491	1.448	5	40	IDBB	
CN(Cc1cc(Br)ccc1[N+](=O)[O-])C(=O)CCCN1C(=O)CN(C)C1=O	95444710	GALGVHCMKUUIPQ-UHFFFAOYSA-N	427.255	1.990	5	40	IDBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(CCO)c3nc12	101160616	ATNIOFBZNHHOJM-UHFFFAOYSA-N	444.900	1.916	5	40	IDBB	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-]	40072477	NXZFJOUGXXQTFE-GJZGRUSLSA-N	426.495	1.015	5	40	IDBB	
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	24796475	PAKCLFDLFUAHRW-QGZVFWFLSA-N	441.488	1.683	5	40	IDBB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O	9591361	ZPSMWWGPSRBTEA-HNNXBMFYSA-N	425.397	1.823	5	40	IDBB	
CN(C)c1ccc(S(=O)(=O)NCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-]	9717121	OFNYLACZLIYGQZ-UHFFFAOYSA-N	426.882	1.909	5	40	IDBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(N(CCN(C)C)CCN(C)C)c([N+](=O)[O-])c2)C1	72312231	CNPHFDBUCUWTPQ-KRWDZBQOSA-N	441.598	1.945	5	40	IDBB	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)nc(OC)n1	2764198	OJHNXJJYVQGDES-UHFFFAOYSA-N	449.405	1.178	5	40	IDBB	
C[C@@H]1CN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	20480047	NISOLURYZPRKDB-HZPDHXFCSA-N	427.509	1.903	5	40	IDBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@H](S(N)(=O)=O)C3)c([N+](=O)[O-])c2)C1	34870127	IPNOJERZUOTCDZ-HIFRSBDPSA-N	446.551	1.273	5	40	IDBB	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	575421840	RZCKIAWLJOQXFS-GHMZBOCLSA-N	430.697	1.336	5	40	IDBB	
COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4[N+](=O)[O-])nc32)cc1OC	9739355	MEYCZQIXOUBRRX-UHFFFAOYSA-N	436.384	1.800	5	40	IDBB	
CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	14867835	WQSKBRIPFQGGBB-UHFFFAOYSA-N	440.503	1.332	5	40	IDBB	
COC(=O)C1CCN(C(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	220394443	ZLVDPVROTCZCDK-ZDUSSCGKSA-N	427.479	1.469	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	9335264	SVTBVDZQDTVXOU-LLVKDONJSA-N	427.369	1.770	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc2c(c1)OCO2	9961212	CETJZZSQMXFELK-UHFFFAOYSA-N	429.385	1.956	5	40	IDBB	
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@H]32)C(=O)N1	36113018	RZMGSZHPVPNEJS-SFHVURJKSA-N	435.440	1.194	5	40	IDBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)NC(=O)N[C@@H]1C	9130792	SYGHSDKISKPVTL-GFCCVEGCSA-N	448.432	1.107	5	40	IDBB	
Cc1nn(CC(=O)Nc2nc3ccccc3n2CCN2CCOCC2)c(C)c1[N+](=O)[O-]	17095376	ZAFZFZVSFUXVTI-UHFFFAOYSA-N	427.465	1.729	5	40	IDBB	
Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	408653512	IGRDAPDKZZTSRX-OAHLLOKOSA-N	440.412	1.578	5	40	IDBB	
CNC(=O)CSc1nnc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)s1	23141764	LBZMDFSVIBCZOF-UHFFFAOYSA-N	436.519	1.176	5	40	IDBB	
COC(=O)[C@H]1Sc2[nH]c(=O)sc2[C@@H](c2cc([N+](=O)[O-])ccc2O)[C@H]1C(=O)OC	35974090	KEVXQYVXTVVSMH-UMNHJUIQSA-N	426.428	1.619	5	40	IDBB	
O=c1[nH]c(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2c1CCCC2	57721266	BNSBARVCRRMQCH-UHFFFAOYSA-N	433.490	1.822	5	40	IDBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(F)cc4)c(=N)n(CCO)c3nc12	100943749	BVKGGLJFUSUSAP-UHFFFAOYSA-N	428.445	1.401	5	40	IDBB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	408655194	LJPTZTBIBDGHOP-OAHLLOKOSA-N	440.412	1.578	5	40	IDBB	
O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1	9569985	GTXLYOYCOZLPEZ-UHFFFAOYSA-N	436.465	1.616	5	40	IDBB	
COc1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]	9714967	FYLNHMOXPOGMDZ-UHFFFAOYSA-N	429.476	1.963	5	40	IDBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@H](S(N)(=O)=O)C3)c([N+](=O)[O-])c2)C1	34870128	IPNOJERZUOTCDZ-ZFWWWQNUSA-N	446.551	1.273	5	40	IDBB	
CN1CCN(C(=O)c2ccc(CNC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)CC1	40111558	JECCFDLDJCTYEE-UHFFFAOYSA-N	425.489	1.978	5	40	IDBB	
C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225274600	MODAKNIIJXTLDU-XJKSGUPXSA-N	435.458	1.706	5	40	IDBB	
Cc1cccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1	408653591	ITHDDZQIKUFESC-HNNXBMFYSA-N	440.412	1.578	5	40	IDBB	
CC(C)N(C(=O)COC(=O)CNS(=O)(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(C)C	9219482	FSTJXDSQMJAONR-UHFFFAOYSA-N	444.510	1.128	5	40	IDBB	
CNC(=O)[C@H]1CN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2O1	29767123	HFWQVTVNUIXBRG-LJQANCHMSA-N	426.429	1.585	5	40	IDBB	
NS(=O)(=O)[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1	32911818	APIFZFAKFCIONI-HNNXBMFYSA-N	446.551	1.417	5	40	IDBB	
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@@H]32)C1=O	9433925	SOSQBHQEJXJWKA-GCJKJVERSA-N	435.440	1.541	5	40	IDBB	
O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-]	9631040	ZPILXTHUKMBTTO-CMDGGOBGSA-N	437.405	1.806	5	40	IDBB	
CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	22610286	FWKUFHBGIRCTDS-LBPRGKRZSA-N	426.433	1.979	5	40	IDBB	
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)cc1OC	104128483	UWFOXJYVQARMGP-WMZOPIPTSA-N	427.369	1.913	5	40	IDBB	
NC(=O)CC[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1	9579935	JZCMXFRFFOPQBU-INIZCTEOSA-N	446.391	1.280	5	40	IDBB	
Cc1cc(OCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1[N+](=O)[O-]	10346554	OAESGLUFDHSMMK-UHFFFAOYSA-N	438.462	1.420	5	40	IDBB	
CCOc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1OCC	12520797	GINLMAMBZYKKIY-UHFFFAOYSA-N	439.494	1.637	5	40	IDBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	32755190	YHBLRTAOMGCUSQ-HUUCEWRRSA-N	446.551	1.124	5	40	IDBB	
C[C@@H](OC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccccc1	408639104	VETZQTUDPNYDJQ-HIFRSBDPSA-N	425.397	1.903	5	40	IDBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)COC(=O)c3ccc([N+](=O)[O-])cc3)cc21	408598803	BHYVXJVSIZRHKN-UHFFFAOYSA-N	429.345	1.489	5	40	IDBB	
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1	24796483	PAKCLFDLFUAHRW-KRWDZBQOSA-N	441.488	1.683	5	40	IDBB	
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	13032157	ZMPVHEPJTOHGLW-YWZLYKJASA-N	440.456	1.906	5	40	IDBB	
O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)CCN2CCOCC2)c1	40156825	ZNVVGDLWFUIXNA-UHFFFAOYSA-N	442.472	1.951	5	40	IDBB	
CCC(=O)c1ccc(OCC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	57995245	AJVGQLLYAPNKII-UHFFFAOYSA-N	435.458	1.661	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	408670132	XEUMJMUPXZRORF-KFMSBCHRSA-N	445.428	1.506	5	40	IDBB	
C[C@@H](CCc1ccccc1)NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	3468213	VYLVWXHMPMVBJL-AWEZNQCLSA-N	439.424	1.872	5	40	IDBB	
CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	22610195	ZOPRPJLGNQGSKI-AWEZNQCLSA-N	426.433	1.979	5	40	IDBB	
COc1cccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCOCC2)c1	23107165	RHWFZFYRIAIYMP-IBGZPJMESA-N	428.445	1.732	5	40	IDBB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O	9591354	ZPSMWWGPSRBTEA-OAHLLOKOSA-N	425.397	1.823	5	40	IDBB	
Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15951924	ZKRPFSGFLDAYEQ-UHFFFAOYSA-N	449.514	1.792	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)C/C(=C/CO)S(=O)(=O)c1ccccc1[N+](=O)[O-]	30833241	CGAWXHJDSVGHAG-XFXZXTDPSA-N	442.427	1.627	5	40	IDBB	
O=C(c1nc(Cl)ccc1F)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	95442139	VQKXMXAQYNCNCH-UHFFFAOYSA-N	428.829	1.929	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccccc1	408670334	XCKPRUHBUPYDLN-ZDUSSCGKSA-N	426.385	1.270	5	40	IDBB	
COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CN3CCOCC3)c3ccccc32)cc1[N+](=O)[O-]	19991135	OYDYCCLURVHKOO-QFIPXVFZSA-N	441.440	1.700	5	40	IDBB	
O=[N+]([O-])c1ccc(Nc2cnn(C[C@H]3CCCO3)c2)c(S(=O)(=O)N2CCOCC2)c1	40139280	OGKDXXCHZSWOBP-MRXNPFEDSA-N	437.478	1.735	5	40	IDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1	44946196	HOXDNXLWGFCKLG-UHFFFAOYSA-N	425.488	1.431	5	40	IDBB	
COc1ccccc1C[C@@H](NC(C)=O)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13565685	AYSJAIRCRLDEOH-GOSISDBHSA-N	441.488	1.831	5	40	IDBB	
COCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21	100758110	FNGRCIRMEMHOHX-UHFFFAOYSA-N	447.495	1.756	5	40	IDBB	biogenic
COc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O	409201685	NKDXXEXFWPOLMO-AWNIVKPZSA-N	430.348	1.980	5	40	IDBB	
COc1cccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCOCC2)c1	23107162	RHWFZFYRIAIYMP-LJQANCHMSA-N	428.445	1.732	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@H]1COc2ccccc2O1)S(C)(=O)=O	260910183	XCANGRSSOPBNMY-HNNXBMFYSA-N	435.458	1.625	5	40	IDBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(NCCC(Br)([N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c1	408721259	FWWWEYFYVSBDSG-UHFFFAOYSA-N	439.091	1.815	5	40	IDBB	
O=C(N[C@H]1CCS(=O)(=O)C1)/C(=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	2905468	XQGKASZGYZCJMQ-JIHKLPAASA-N	429.454	1.669	5	40	IDBB	
O=C(OCC(=O)N1CCNC1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	24957156	LFMAQTWFYXXMLW-UHFFFAOYSA-N	444.366	1.925	5	40	IDBB	
O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCCc1cn2ccccc2n1	516255219	CJYHNQSBBKGHES-UHFFFAOYSA-N	432.462	1.063	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(C)nc3[N+](=O)[O-])CC2)c(C)c1	6143158	AXCPGYGVHJMHLR-UHFFFAOYSA-N	448.501	1.827	5	40	IDBB	
COc1ccc(NC(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1	9546017	VUAUCTOZDCHFGA-UHFFFAOYSA-N	432.345	1.423	5	40	IDBB	
CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1	12821488	YPMAOYIMABTPHZ-UHFFFAOYSA-N	448.457	1.194	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	12878014	XOALVRVLMAOXGX-XBFCOCLRSA-N	431.401	1.425	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cnn(C[C@H]2CCCO2)c1	40139259	KGKMVGXSGXJESR-OAHLLOKOSA-N	437.478	1.735	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(Cc2ccccc2)CC1	58159147	VKDMATXKVJNHRF-UHFFFAOYSA-N	446.529	1.938	5	40	IDBB	
CNC(=O)[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2O1	29767122	HFWQVTVNUIXBRG-IBGZPJMESA-N	426.429	1.585	5	40	IDBB	
O=C(NCCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1)c1ccc([N+](=O)[O-])cc1	24301305	VHXTYWVQPZHMHX-UHFFFAOYSA-N	438.484	1.994	5	40	IDBB	
C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260901616	MODAKNIIJXTLDU-BBRMVZONSA-N	435.458	1.706	5	40	IDBB	
Cn1c(=O)c2c(nc(N3CCCCC3)n2CC(=O)c2cccc([N+](=O)[O-])c2)n(C)c1=O	9312317	GYYXHHKBWGWRPB-UHFFFAOYSA-N	426.433	1.215	5	40	IDBB	
CC(=O)Oc1ccc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	409173391	LXLMHNDWPQYEJV-UHFFFAOYSA-N	426.337	1.542	5	40	IDBB	
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	25403613	GAYMMPJXKMEEBD-QRWLVFNGSA-N	440.456	1.906	5	40	IDBB	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	8722592	SYNJHCFYCKHSHO-SNVBAGLBSA-N	427.325	1.914	5	40	IDBB	
COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	13856683	CLWRZRXOABYBOB-OAHLLOKOSA-N	441.396	1.523	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	100251637	DBDFEEFLACXYLR-QOIOWGMHSA-N	430.369	1.169	5	40	IDBB	
CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cn2)CC1	12545659	AUDMSJTVAXJYLX-UHFFFAOYSA-N	439.520	1.773	5	40	IDBB	
COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCN(c3cnccn3)CC2)c([N+](=O)[O-])c1	9118662	WJZBDEDYVVJQTB-CQSZACIVSA-N	436.494	1.025	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1F)S(=O)(=O)N(C)C	20048874	WSUCVCPLQIAAAP-UHFFFAOYSA-N	426.426	1.994	5	40	IDBB	
O=C(NCCn1cc(Cl)cn1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	2728387	WRRDXZQFGMNATN-UHFFFAOYSA-N	441.897	1.662	5	40	IDBB	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1	15391648	IYMTYRRSXYQSHJ-UHFFFAOYSA-N	443.420	1.092	5	40	IDBB	
Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	585655931	QFQYZZRZNRHPSM-UHFFFAOYSA-N	427.504	1.859	5	40	IDBB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	408650884	AETHVQNJTQEPHK-AWEZNQCLSA-N	441.396	1.916	5	40	IDBB	
COC(=O)CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	12639101	SBFJYHDLFIGYGG-UHFFFAOYSA-N	443.478	1.216	5	40	IDBB	
O=C(COC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl	9284596	HLUGKLIZWXVQBS-LDLLTSAYSA-N	433.804	1.537	5	40	IDBB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1	20674988	BRNPWFMQYZEMNX-JKSUJKDBSA-N	447.448	1.075	5	40	IDBB	
COC(=O)C1CCN(C(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222366546	OHQRPAZFMNRETJ-UHFFFAOYSA-N	427.479	1.553	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc(S(=O)(=O)N(C)C)cc1	224230142	MWMGOVWRGVTGDX-UHFFFAOYSA-N	443.503	1.511	5	40	IDBB	
CCOC(=O)C1CCN([C@@H](CC(=O)OC)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	9562603	GBLRQUQACJASKT-KRWDZBQOSA-N	437.449	1.749	5	40	IDBB	
CN(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)S(=O)(=O)c1ccc2c(c1)OCCO2	48354190	IWXTWGABGPYNPP-UHFFFAOYSA-N	448.501	1.766	5	40	IDBB	
Cc1cc(=O)c(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)nn1-c1ccccc1[N+](=O)[O-]	69389142	TXFBKVWXDHNGRX-MRXNPFEDSA-N	445.501	1.736	5	40	IDBB	
O=C(O)c1cc2ncc(-c3n[nH]c(-c4cnc5cc(C(=O)O)nn5c4)c3[N+](=O)[O-])cn2n1	4343609	IIEGMAYUNUQEQP-UHFFFAOYSA-N	435.316	1.134	5	40	IDBB	
C[C@H]1CN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	13810892	NISOLURYZPRKDB-IYBDPMFKSA-N	427.509	1.903	5	40	IDBB	
COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1	23107554	AGGDHOPFTFFAJT-IBGZPJMESA-N	428.445	1.732	5	40	IDBB	
COCCN(CCC(=O)OC)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	79048087	QROGMRZHNJEEIU-UHFFFAOYSA-N	429.495	1.785	5	40	IDBB	
O=[N+]([O-])c1ccc2c(c1)nc(S[C@H]1CCS(=O)(=O)C1)n2[C@@H]1CCS(=O)(=O)C1	16431439	OQLUXNIVAGDCHF-NEPJUHHUSA-N	431.517	1.583	5	40	IDBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	32755191	YHBLRTAOMGCUSQ-GASCZTMLSA-N	446.551	1.124	5	40	IDBB	
CS(=O)(=O)c1ccc(N2CCN(C(=O)COCC(F)(F)F)CC2)c([N+](=O)[O-])c1	48250039	OMUWPWCXXNFVRQ-UHFFFAOYSA-N	425.385	1.226	5	40	IDBB	
O=C(COC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)NC(=O)c1cccc([N+](=O)[O-])c1	3384950	JEAXVZBNLVBADF-UHFFFAOYSA-N	436.380	1.364	5	40	IDBB	
Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc4nc[nH]c(=O)c4cc3[N+](=O)[O-])CC2)c1	29187093	DPDDKGAEFWLAMP-UHFFFAOYSA-N	443.485	1.959	5	40	IDBB	
CN(CCCC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1	40162075	GRNMWHINESKPEU-SFHVURJKSA-N	439.465	1.984	5	40	IDBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCc1csc(N(C)C)n1	89326840	HCJPWPMYWBDOJJ-GFCCVEGCSA-N	441.535	1.921	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)NC2CC2)CC1	8774907	PIVDNZJGDQFOHW-CYBMUJFWSA-N	439.490	1.514	5	40	IDBB	
CCOCCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21	100811340	ZFBPIADCQDAHOZ-MRXNPFEDSA-N	439.516	1.772	5	40	IDBB	
CCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1	216794998	PLUWUMCQFKKLFD-UHFFFAOYSA-N	447.517	1.897	5	40	IDBB	
COc1ccc(CCNc2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])cc1OC	16227455	FQDIXADJRFTAAD-UHFFFAOYSA-N	443.416	1.857	5	40	IDBB	
Cn1c(=O)sc2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21	225032135	MHBFHSMHBIPBJW-UHFFFAOYSA-N	436.471	1.913	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12	100522380	KLKDXVPTYGDOCQ-ULMVMLMRSA-N	430.369	1.169	5	40	IDBB	
COc1ccc2oc3cc(OCC(=O)N(C)[C@@H]4CCS(=O)(=O)C4)cc(O)c3c(=O)c2c1	9575905	MDCGAKPOMHEMDI-GFCCVEGCSA-N	447.465	1.685	5	40	IDBB	biogenic
Cc1c(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-]	9570213	GEXXLPYCOVHVFQ-UHFFFAOYSA-N	432.502	1.785	5	40	IDBB	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(F)cc1	9123267	JFSQCMFCQWCEPE-UTKZUKDTSA-N	440.387	1.765	5	40	IDBB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1	408653593	ITHDDZQIKUFESC-OAHLLOKOSA-N	440.412	1.578	5	40	IDBB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1	8824825	SIUGEHZRXJKTGD-UHFFFAOYSA-N	439.421	1.845	5	40	IDBB	
CCC(CC)[C@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCOCC1	40051062	KDHVAUJIERMURD-SFHVURJKSA-N	434.493	1.573	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	9356251	YPHCMQZMZYELOI-IONDEXAJSA-N	430.369	1.250	5	40	IDBB	
CCSc1n[nH]c(-n2ccc3nc4ccn(CCCN(C)C)c(=O)c4cc3c2=O)n1	40398921	LVSMAQKOLXWGRZ-UHFFFAOYSA-N	425.518	1.882	5	40	IDBB	
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2nncn2C)cc1=O	10254677	BOLZDCRWEFNXBM-UHFFFAOYSA-N	430.446	1.825	5	40	IDBB	
O=C(COc1ccccc1[N+](=O)[O-])NCCNC(=O)c1nc(-c2ccccc2F)no1	21454037	OMSVQNQBHPAUBA-UHFFFAOYSA-N	429.364	1.709	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c([N+](=O)[O-])c1	15056207	MCHARNXYXCURPO-QZTJIDSGSA-N	431.537	1.964	5	40	IDBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc21	9971885	ABONENNWNGIRLT-UHFFFAOYSA-N	449.464	1.435	5	40	IDBB	
CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1cccc([N+](=O)[O-])c1	20039310	GNNWMHPYWMMPPR-UHFFFAOYSA-N	429.458	1.863	5	40	IDBB	
Cc1cc(NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)n(-c2ccc([N+](=O)[O-])cc2)n1	591578210	YTBRZKSAJDRJQM-UHFFFAOYSA-N	437.459	1.537	5	40	IDBB	
Cc1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	9662961	BPNZCGFATZAUCJ-UHFFFAOYSA-N	436.446	1.337	5	40	IDBB	
COc1cc2c(cc1OC)[C@]13CC[N+]4(C)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@]34O	100136568	NMDDWSIRDRACCC-KRGFAJDUSA-N	425.505	1.574	5	40	IDBB	in-vitro
O=C([C@@H]1COc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12787877	KJRRFQZISNSYLF-INIZCTEOSA-N	431.470	1.679	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	12878018	XOALVRVLMAOXGX-UBHSHLNASA-N	431.401	1.425	5	40	IDBB	
COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1	3238705	USVSIRRFCKBEDK-UHFFFAOYSA-N	430.369	1.641	5	40	IDBB	
Cc1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]	9570214	SDASZTJFBVLQKH-UHFFFAOYSA-N	432.502	1.785	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408662812	NRIKKLHIYRDTDD-MBZVMHRFSA-N	429.429	1.806	5	40	IDBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccn1	409126828	CFOSJSZHGAMUES-UHFFFAOYSA-N	427.446	1.779	5	40	IDBB	
CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1	26825774	DUKUMVQCTDSLCI-UHFFFAOYSA-N	428.511	1.168	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	409145763	PNKGIHMCMWDOOK-ITKAJJHTSA-N	430.369	1.250	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O	9335263	SVTBVDZQDTVXOU-NSHDSACASA-N	427.369	1.770	5	40	IDBB	
O=C(c1cc(Cl)[nH]c(=O)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	96006677	CFVCTLHQBJRSAH-UHFFFAOYSA-N	426.838	1.083	5	40	IDBB	
COc1n[nH]c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1[N+](=O)[O-]	9557273	VVLFTCAWPQWEER-UHFFFAOYSA-N	436.406	1.984	5	40	IDBB	
CN(C)S(=O)(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	9971700	CWWOORNHTVIXGN-UHFFFAOYSA-N	427.361	1.450	5	40	IDBB	
CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccccc1	48279284	DGHUABPSSGXCHX-UHFFFAOYSA-N	432.502	1.954	5	40	IDBB	
CC(=O)OCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21	16741226	OIZORWJJZXFPFI-UHFFFAOYSA-N	431.452	1.622	5	40	IDBB	
O=[N+]([O-])c1ccc(NCCc2ccc3c(c2)OCO3)c(S(=O)(=O)N2CCOCC2)c1	24770289	UONVHLXAEBZFOI-UHFFFAOYSA-N	435.458	1.999	5	40	IDBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1	408686020	QYMYKMAOFHXNLU-UHFFFAOYSA-N	426.341	1.892	5	40	IDBB	
CC(C)CN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	9352498	HRBABTPCXFVMMJ-OAHLLOKOSA-N	444.531	1.902	5	40	IDBB	
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	22610191	ZOPRPJLGNQGSKI-CQSZACIVSA-N	426.433	1.979	5	40	IDBB	
O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(c2ccccc2[N+](=O)[O-])CC1	39969243	BLONGNZCQCQTDQ-UHFFFAOYSA-N	427.373	1.760	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1	223251408	MKXPSJVCGDNAPY-UHFFFAOYSA-N	439.515	1.900	5	40	IDBB	
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12	100942594	CSWNUPOLUWUUAZ-AEFFLSMTSA-N	438.396	1.901	5	40	IDBB	
COc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	9740825	RKKMBQZCOQDIME-FQEVSTJZSA-N	434.518	1.870	5	40	IDBB	
CSc1nnc(C)n1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	107985329	ROBDNCFPGPIQTA-UHFFFAOYSA-N	437.507	1.312	5	40	IDBB	
O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)cc2N1	9403246	NXTAXUVFYOLMID-UHFFFAOYSA-N	447.787	1.735	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2)CC1	17124042	ITTYTWXIBVYHEP-UHFFFAOYSA-N	448.501	1.998	5	40	IDBB	
COc1ccc(C2=NO[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@H]23)cc1OC	103521435	XYCWHSAQRUUPMK-SJLPKXTDSA-N	427.369	1.913	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1	216884859	KRGROXPNKNVHJK-UHFFFAOYSA-N	448.501	1.933	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C	18061629	NBMDFEYMLHFTAW-OSMBCOQSSA-N	426.429	1.933	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	409337122	XFEUZPMHNGKFNE-AFMUBRCDSA-N	444.396	1.559	5	40	IDBB	
O=[N+]([O-])c1ccc(N2CCC[C@H](c3ccncn3)C2)c(S(=O)(=O)N2CCOCC2)c1	69456288	UJLBVWCFZPCJHH-HNNXBMFYSA-N	433.490	1.790	5	40	IDBB	
CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])cn2)NC(=O)N[C@H]1c1ccc(OC)c(COC)c1	8782640	GIRCDECMNUUUSX-SFHVURJKSA-N	445.432	1.818	5	40	IDBB	
COC(=O)c1cc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1	9634091	YXMQNMOFPIYDRZ-UHFFFAOYSA-N	447.375	1.774	5	40	IDBB	
COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	13856681	MFXVKKJWVCYDEY-OAHLLOKOSA-N	441.396	1.523	5	40	IDBB	
O=C1O[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)Cc2ccccc21	23122799	OULNLPUHUNXZKJ-SFHVURJKSA-N	445.453	1.209	5	40	IDBB	
O=C(CNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)NCCc1ccccc1	79108427	UUIGPVKOOGGRTM-UHFFFAOYSA-N	442.291	1.995	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2)CC1	9661880	OSXMAYZOMVNGKN-UHFFFAOYSA-N	432.502	1.942	5	40	IDBB	
CCOC(=O)c1ccc(N2CN=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3C2)cc1	1840951	LNSBLDRFUZADKJ-WQRHYEAKSA-N	438.465	1.878	5	40	IDBB	
CN1CCN(S(=O)(=O)c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)CC1	89382736	QDCTXJAJVBFOPS-UHFFFAOYSA-N	445.545	1.858	5	40	IDBB	
COCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(N)(=O)=O)ccc21	100873000	NRXMMQZUEYLFQS-ZPHPHTNESA-N	436.471	1.646	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)cc1	21274782	BNOLXVDEIYPCBG-UHFFFAOYSA-N	437.478	1.300	5	40	IDBB	
O=C(CCc1nc(O)c2ccccc2n1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	604404016	IDBUHOGJNNFSKQ-KBPBESRZSA-N	435.440	1.984	5	40	IDBB	biogenic
O=C(COc1cccnc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	6094745	HLQYKBXJWHXSPD-UHFFFAOYSA-N	440.865	1.555	5	40	IDBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1	113872748	DIQQNCYDGAOGSK-UHFFFAOYSA-N	437.430	1.930	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NC2CC2)CC1	8774905	PIVDNZJGDQFOHW-ZDUSSCGKSA-N	439.490	1.514	5	40	IDBB	
COc1ccc(C(=O)N/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])C(=O)NCCO)cc1	13124221	YDFVWNGDSJLVGF-YBEGLDIGSA-N	445.428	1.500	5	40	IDBB	
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O	14094715	OAKAHJRZUZZTST-IBGZPJMESA-N	446.441	1.404	5	40	IDBB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)c1	8927601	KQEUYEXFCRTHIL-MRXNPFEDSA-N	425.397	1.823	5	40	IDBB	
CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccccc2C)cc1[N+](=O)[O-]	9512207	RICBFHMTUUVTFS-UHFFFAOYSA-N	436.446	1.405	5	40	IDBB	
CC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1	9097252	HROSIDLLRKOTHU-UHFFFAOYSA-N	432.458	1.700	5	40	IDBB	
CNC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](c4cccc(=O)n4C3)[C@H]21	888089532	KXFRSNOEOACJPR-FBJVGDGNSA-N	438.440	1.122	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O	3282778	UTHRWBOGHBQROW-LLVKDONJSA-N	427.369	1.770	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3cccc(OC)c3OC)[C@@H]2C1=O	9014047	LULKPPQXBCOLNF-YJBOKZPZSA-N	427.369	1.913	5	40	IDBB	
COc1cc2c(cc1OC)CN(C(=O)CN1C(=O)c3ccc([N+](=O)[O-])cc3C1=O)CC2	13006423	REKFGOHXGKPVCW-UHFFFAOYSA-N	425.397	1.793	5	40	IDBB	
COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	24464783	YUQXSKPFAPEPGU-UHFFFAOYSA-N	429.476	1.169	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)O[C@H]2CCOC2=O)c1	3237782	RZOJVULTFKIQGJ-INIZCTEOSA-N	436.398	1.877	5	40	IDBB	
COc1ccccc1CNC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	12521752	QOIWLEIVYVHJJJ-UHFFFAOYSA-N	429.429	1.913	5	40	IDBB	
Cn1ccnc1Sc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1[N+](=O)[O-]	23409179	OHLJXQFYMZXRJF-UHFFFAOYSA-N	427.508	1.090	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	220404121	YZNAHOPHFMQHBK-CYBMUJFWSA-N	428.467	1.050	5	40	IDBB	
O=C(OCC(=O)N1CCN(Cc2ccccc2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2	25310215	MEEGQCZROZNVFY-UHFFFAOYSA-N	441.440	1.867	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(NC[C@@H]4CCCO4)nn3)CC2)cc1	10213292	UWTPCQZHCCAXQE-INIZCTEOSA-N	448.505	1.487	5	40	IDBB	
O=C(NCCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	15934600	CKUPPDZXAXUDRW-UHFFFAOYSA-N	448.501	1.848	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1	408663456	YIJFSBWWQFBTAF-AWEZNQCLSA-N	426.385	1.270	5	40	IDBB	
CC(=O)Oc1cc2c(=O)oc3cc(OC(C)=O)c(=O)oc3c2c(OC(C)=O)c1OC(C)=O	1698113	GONHRBQGQHXYDO-UHFFFAOYSA-N	446.320	1.601	5	40	IDBB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)Nc1ccc([N+](=O)[O-])cc1	9562449	FONWIJNWEDJNNC-UHFFFAOYSA-N	449.441	1.880	5	40	IDBB	
Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cccc1[N+](=O)[O-]	9988041	AQSRJEQLGYASAY-UHFFFAOYSA-N	425.488	1.916	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	17094429	LGIPJBIPHKOGNJ-UHFFFAOYSA-N	425.488	1.598	5	40	IDBB	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1c1ccc(F)cc1	9123266	JFSQCMFCQWCEPE-DYESRHJHSA-N	440.387	1.765	5	40	IDBB	
O=C(NCCn1cc([N+](=O)[O-])cn1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	2728307	MCXRCIFGHQSTBP-UHFFFAOYSA-N	441.897	1.662	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	107154389	SURSEXAIYYQIFS-CQSZACIVSA-N	428.511	1.733	5	40	IDBB	
COc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	224058742	XVZQFKKLZXDQAJ-UHFFFAOYSA-N	437.474	1.873	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ncccn2)CC1	8861207	JDNAHMGIEPOQNA-UHFFFAOYSA-N	432.506	1.886	5	40	IDBB	
COc1ccc2oc3cc(OCC(=O)N(C)[C@H]4CCS(=O)(=O)C4)cc(O)c3c(=O)c2c1	9575907	MDCGAKPOMHEMDI-LBPRGKRZSA-N	447.465	1.685	5	40	IDBB	biogenic
COc1cc(C)c(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1OC	26814361	CNBREYVZYSJMSB-UHFFFAOYSA-N	425.467	1.165	5	40	IDBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ncccn1	409133675	MYZNKSBJFIPUEH-UHFFFAOYSA-N	442.461	1.657	5	40	IDBB	
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](C)C(=O)O)c([N+](=O)[O-])cc1OC	8426491	AONSYSVFWMATOI-KMHUVPDISA-N	443.412	1.972	5	40	IDBB	
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4)C[C@H]32)C1=O	9087397	JDSGIYBMKCHFBE-IBGZPJMESA-N	449.467	1.883	5	40	IDBB	
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@H]23)cc1OC	101272790	XYCWHSAQRUUPMK-AEFFLSMTSA-N	427.369	1.913	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3cccc(OC)c3OC)[C@H]2C1=O	101294278	LULKPPQXBCOLNF-QAPCUYQASA-N	427.369	1.913	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	12485234	MMJJEBYDNMGCPS-STQMWFEESA-N	433.417	1.569	5	40	IDBB	
CS(=O)(=O)c1ccc(NCCNC(=O)CNC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1	16785224	OTIGFDYJXQIODK-JXMROGBWSA-N	446.485	1.356	5	40	IDBB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1	20674985	BRNPWFMQYZEMNX-HZPDHXFCSA-N	447.448	1.075	5	40	IDBB	
CC1([N+](=O)[O-])COP(=O)(NCCCCNP2(=O)OCC(C)([N+](=O)[O-])CO2)OC1	5031003	LDBIDJOYCGDCFP-UHFFFAOYSA-N	446.290	1.326	5	40	IDBB	
Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	9667972	GIKHUGXGEOUTQC-UHFFFAOYSA-N	435.458	1.942	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408671399	XZQCCMCIPBOOKP-ZFNAHCARSA-N	443.412	1.281	5	40	IDBB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	8927562	FLLAULZYFGXMHN-MRXNPFEDSA-N	425.397	1.823	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	8824853	PSVSNHNAEIKWSA-UHFFFAOYSA-N	425.394	1.503	5	40	IDBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	12930444	CBZFEKQBHIWAGN-UHFFFAOYSA-N	447.469	1.903	5	40	IDBB	
O=C(CN1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1)NCc1ccccc1	22092194	ULOWIGPWVFFJER-FQEVSTJZSA-N	428.489	1.269	5	40	IDBB	
CN(C[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	9120551	XOVSAEPLCILIEQ-HNNXBMFYSA-N	449.485	1.892	5	40	IDBB	
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	16322488	ZXDPQJUGJXLTJX-LLVKDONJSA-N	437.386	1.596	5	40	IDBB	
Cc1[nH]c(=O)sc1S(=O)(=O)NCCNc1ccc(Br)cc1[N+](=O)[O-]	95943709	XJHAMYFDYHISGB-UHFFFAOYSA-N	437.297	1.806	5	40	IDBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NCc1cccs1	8825857	KCYMTWYOTBDNMH-UHFFFAOYSA-N	434.459	1.804	5	40	IDBB	
Cn1nnnc1-c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1	22893685	ZPNXDSZXCQMGKL-LBPRGKRZSA-N	425.380	1.916	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12	13562611	KLKDXVPTYGDOCQ-NLDJYOPPSA-N	430.369	1.169	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	220388159	CEWKOSSTHBDLAV-CQSZACIVSA-N	441.506	1.859	5	40	IDBB	
COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	6163411	OTCOMWZYKSTOKZ-LLVKDONJSA-N	427.369	1.770	5	40	IDBB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O	9591368	FIXCVUADQJHQMH-OAHLLOKOSA-N	425.397	1.823	5	40	IDBB	
CCOc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1	102592273	NDBLUZMIAJEXSZ-OKILXGFUSA-N	433.417	1.650	5	40	IDBB	
CC(C)[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O	2113627	ZDQSLVLXTKKGPN-FQEVSTJZSA-N	426.425	1.667	5	40	IDBB	biogenic
CCCn1c(N)c(N(CCOC)C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)[nH]c1=O	9506918	ZRPUHAFKMLESBD-UHFFFAOYSA-N	425.829	1.384	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3cccc(OC)c3OC)[C@H]2C1=O	18068927	VIMZKSWSPLNAGX-CRAIPNDOSA-N	427.369	1.913	5	40	IDBB	
Cc1c(N(CC(=O)NC[C@@H]2COc3ccccc3O2)S(C)(=O)=O)cccc1[N+](=O)[O-]	225273453	BLAOMHPDMXKMSR-CQSZACIVSA-N	435.458	1.625	5	40	IDBB	
O=C1C[C@@H](C(=O)N2C[C@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)CN1Cc1ccco1	604405396	RYCFQYZPRBQEMQ-RBSFLKMASA-N	426.429	1.344	5	40	IDBB	biogenic
C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2	9284209	CHDBZKZWDDDQKV-SNVBAGLBSA-N	436.398	1.911	5	40	IDBB	
C[C@@H]1CCCN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	8156431	GWHXNEACRWHVJR-CVEARBPZSA-N	427.523	1.851	5	40	IDBB	
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	9669082	BNYHSVTUNGTXAE-UHFFFAOYSA-N	434.474	1.694	5	40	IDBB	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	12572964	CTIUILBBOZMKNN-UHFFFAOYSA-N	436.402	1.776	5	40	IDBB	
CN(C)C(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc1	21281193	JOYJWHRMTXHGIP-UHFFFAOYSA-N	430.417	1.496	5	40	IDBB	
COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	408672925	PIRKUERSQVKPJC-OYUDYFSCSA-N	430.413	1.751	5	40	IDBB	
O=C(CCc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	24614485	BBWRSAHEHUZMSP-UHFFFAOYSA-N	447.469	1.789	5	40	IDBB	
CN1CCN(c2ccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)cc2)CC1	216937401	XQNHPEXPSQYKKA-UHFFFAOYSA-N	447.517	1.751	5	40	IDBB	
CNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)c(OC)c2)c1=N	100752176	UTEAHUKHISXGIU-UHFFFAOYSA-N	433.468	1.748	5	40	IDBB	biogenic
O=C(C1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1)N1CCCC1	32895796	DNTOGGNVIYSMHY-UHFFFAOYSA-N	439.490	1.779	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]12	826196	KLKDXVPTYGDOCQ-ASKKUZCQSA-N	430.369	1.169	5	40	IDBB	
CC(C)(C)NS(=O)(=O)c1ccc(N2CCC(NS(C)(=O)=O)CC2)c([N+](=O)[O-])c1	10044549	OHFJBVMDECPNIU-UHFFFAOYSA-N	434.540	1.190	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1NCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1	11117713	VIUDLLKQVMYRFM-UHFFFAOYSA-N	436.465	1.987	5	40	IDBB	
Cc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2CC(=O)N2CCCCC2)cc1	14944042	TUIDVNSRFYCQSG-UHFFFAOYSA-N	429.466	1.634	5	40	IDBB	
CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	9233716	FDFUIIOYODATOM-KOXIMRRESA-N	430.461	1.998	5	40	IDBB	
Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(CCCO)cc2n(C)c1=O	13575978	HECZHNNQECHBLQ-UHFFFAOYSA-N	437.250	1.759	5	40	IDBB	
COCCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])[C@](C)(C(=O)OC)c1ccc(Br)cc1	72292785	GCWNQORUNDAGJT-KEYYUXOJSA-N	429.267	1.978	5	40	IDBB	
C[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)C1	139077847	DWBHPHIZJDPXTM-BXUZGUMPSA-N	426.433	1.979	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC(=O)NCCc2ccccc2)CC1	16520880	JBQIVTYMLSDLCR-UHFFFAOYSA-N	446.529	1.568	5	40	IDBB	
C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccc2c(c1)OCCO2	20896901	XDFOSHWENOJCTF-GFCCVEGCSA-N	431.401	1.954	5	40	IDBB	
CCOc1ccc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c([N+](=O)[O-])c1	102592275	NDBLUZMIAJEXSZ-KBPBESRZSA-N	433.417	1.650	5	40	IDBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1	408615292	OKXQIZIWZAAYNE-UHFFFAOYSA-N	448.501	1.239	5	40	IDBB	
CCc1cc([N+](=O)[O-])c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1	95080044	RKNMTVANTXSCHA-UHFFFAOYSA-N	426.539	1.712	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCN2C(=O)c3ccccc3C2=O)CC1=O	408657723	IXRGMNWKKPFVGJ-LBPRGKRZSA-N	439.380	1.753	5	40	IDBB	
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)c(OC)c1	104046614	ONUKRBYQSGVVLA-WMZOPIPTSA-N	427.369	1.913	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1	199415542	WYFHAKRGLYWDKF-LJQANCHMSA-N	441.440	1.982	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	226650462	KYLKCLHWONXPPH-ZFCANOHDSA-N	430.369	1.169	5	40	IDBB	
Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3Cc3cccnc3)c(=O)n2c1	100627603	LXKBGMWBEKNWAM-KRWDZBQOSA-N	444.495	1.789	5	40	IDBB	
CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	102773669	FDFUIIOYODATOM-APVNGSAXSA-N	430.461	1.998	5	40	IDBB	
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@@H](C)[C@@H]32)C1=O	9233715	FDFUIIOYODATOM-URCVVBJGSA-N	430.461	1.998	5	40	IDBB	
C[C@@H]1CN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1	13147676	HDOREZNNQQLLOA-BZUAXINKSA-N	443.522	1.228	5	40	IDBB	
COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C[C@H]2CCCO2)c1=N	16742595	QHIAVCFCMYGZTN-OAHLLOKOSA-N	425.489	1.382	5	40	IDBB	
CCOC(=O)C[C@](C)(O)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	96011395	ZXTADYLSANDJKQ-SFHVURJKSA-N	429.495	1.886	5	40	IDBB	
CC(C)[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408655540	HNXHDCXVJFLUSQ-KMNYTQEUSA-N	441.440	1.908	5	40	IDBB	
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	8439595	ZGXJQYYNKIWLEG-SJCJKPOMSA-N	427.417	1.901	5	40	IDBB	
CN(C)c1ccc(S(=O)(=O)NCC(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-]	32958324	MLOPGWQLIOSEAN-UHFFFAOYSA-N	445.501	1.779	5	40	IDBB	
O=C1CN(CCCNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CCN1	89769951	BRSXLMUEAQCNGY-UHFFFAOYSA-N	425.511	1.003	5	40	IDBB	
O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	22229407	MURGSLUDLVQKED-UHFFFAOYSA-N	446.485	1.677	5	40	IDBB	
O=c1c([N+](=O)[O-])ccc2n1C[C@@H]1C[C@@H]2CN(C(=O)[C@H]2CC[C@H](Cn3cnnn3)CC2)C1	604405433	STAOBGWGQVLFRX-KLHDSHLOSA-N	427.465	1.195	5	40	IDBB	
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1	12526658	SXLCDNBUYFLDNG-UHFFFAOYSA-N	432.458	1.526	5	40	IDBB	
C[C@@H]1CCCN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	13126759	GWHXNEACRWHVJR-HZPDHXFCSA-N	427.523	1.851	5	40	IDBB	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(S(N)(=O)=O)cc1)C2=O	9216141	WLJKTYNGQFXUDJ-QGZVFWFLSA-N	443.441	1.239	5	40	IDBB	
COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCOCC2)c1	23107150	XSXKNJSDIMYOEN-LJQANCHMSA-N	428.445	1.732	5	40	IDBB	
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1	15952821	FZJCQERXUPFLMW-QGZVFWFLSA-N	444.495	1.941	5	40	IDBB	
CCOc1ccc(-n2c(=O)[nH]c3nc4cc(NC(=O)CCC(=O)O)ccc4nc3c2=O)cc1	2114944	GODZUBTVFLDRCK-UHFFFAOYSA-N	449.423	1.824	5	40	IDBB	biogenic
CN1CC[N+]2(CC1)CCN(c1cc3c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn3C1CC1)CC2	40234021	PBQIKADARWCHCR-UHFFFAOYSA-O	442.496	1.525	5	40	IDBB	
Cn1ncc(Cl)c1CNC(=O)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	2728489	JZSCJKWLXGZPAX-UHFFFAOYSA-N	441.897	1.699	5	40	IDBB	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	575421845	RZCKIAWLJOQXFS-WDEREUQCSA-N	430.697	1.336	5	40	IDBB	
CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13150509	QIUXEISFJOAAMV-GOSISDBHSA-N	429.452	1.961	5	40	IDBB	
O=C(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	89793782	WWFQNMKUJYCQIF-UHFFFAOYSA-N	433.442	1.513	5	40	IDBB	
COC(=O)c1sc2ncn3nc(-c4ccn(Cn5cnc([N+](=O)[O-])n5)n4)nc3c2c1C	2804007	PSZYENMLKYSBEC-UHFFFAOYSA-N	440.405	1.303	5	40	IDBB	
COc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)c1	8684960	XROVIAHYDPYTDL-UHFFFAOYSA-N	431.401	1.832	5	40	IDBB	aggregator
CCOC(=O)CN(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccccc1	21172064	HMKJCXRIAZPJRB-UHFFFAOYSA-N	445.428	1.752	5	40	IDBB	
COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(I)c1O	9763253	CJICHCSNGGGKMI-NSCUHMNNSA-N	431.142	1.873	5	40	IDBB	
O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	23122529	IGOMKIKPCNIXSD-UHFFFAOYSA-N	430.486	1.998	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	408655678	ICVYDAGXJYTJDE-IGWOWPFTSA-N	431.401	1.116	5	40	IDBB	
O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1	25148306	KNWGHCKJSNLZJN-UHFFFAOYSA-N	445.501	1.737	5	40	IDBB	
COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)cc1OC	9739361	SCIHKLGMUCRDTQ-UHFFFAOYSA-N	436.384	1.800	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1[N+](=O)[O-]	13676011	NBXWJJAPYRHILQ-UHFFFAOYSA-N	425.488	1.905	5	40	IDBB	
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1	16035673	PNUPJEAVNWJBFS-UHFFFAOYSA-N	427.822	1.952	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOCc1ccccc1)S(C)(=O)=O	223882226	PPQYPVPUUKDZDO-UHFFFAOYSA-N	437.474	1.702	5	40	IDBB	
C[C@H]1CN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	20480051	NISOLURYZPRKDB-HOTGVXAUSA-N	427.509	1.903	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408662809	NRIKKLHIYRDTDD-BIPCEHGGSA-N	429.429	1.806	5	40	IDBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ncccn1	409126855	CGZNAYCGQBOYRJ-UHFFFAOYSA-N	428.434	1.174	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	9356252	YPHCMQZMZYELOI-XWYPRVOQSA-N	430.369	1.250	5	40	IDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	16399662	XKGRBIQCJJCDCW-UHFFFAOYSA-N	444.447	1.150	5	40	IDBB	
Cc1ccc(N(C[C@H](O)CN2CCOCC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	19882244	NNHWUWYZKWTKNP-LJQANCHMSA-N	435.502	1.792	5	40	IDBB	
COc1cccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1	23107039	NFGLMSKSSCCVJD-IBGZPJMESA-N	428.445	1.732	5	40	IDBB	
CCC(CC)[C@@H](CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)N1CCOCC1	40051061	KDHVAUJIERMURD-GOSISDBHSA-N	434.493	1.573	5	40	IDBB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	408655181	LHMWEMAUBNUFJM-AWEZNQCLSA-N	440.412	1.578	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	9355945	DBDFEEFLACXYLR-DICRZQGBSA-N	430.369	1.169	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NNS(=O)(=O)c1ccccc1F	13134875	JZSGTENORXCTPK-UHFFFAOYSA-N	444.466	1.824	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	102129844	WMQLOMGTBCYHSS-ZIAGYGMSSA-N	445.428	1.735	5	40	IDBB	
C[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@H](C)O1	9127607	SRQYPSCLJFFAQZ-KBPBESRZSA-N	427.479	1.394	5	40	IDBB	
Cn1c(=O)c2c(ncn2CC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)n(C)c1=O	9585898	SMXOROHVIZMMBS-UHFFFAOYSA-N	446.419	1.437	5	40	IDBB	
Cn1c(=O)n(C)c2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21	13856483	QNZNAJPGIQXHNV-UHFFFAOYSA-N	433.446	1.190	5	40	IDBB	
CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)cc2)CC1	58161616	CESBHPZWNPLLQD-UHFFFAOYSA-N	434.474	1.816	5	40	IDBB	
COC(=O)C1=C(C)O[C@H](CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	95444046	CKSXCEHRSJWMFB-HNNXBMFYSA-N	425.463	1.137	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)c([N+](=O)[O-])c1	15056213	MCHARNXYXCURPO-HDICACEKSA-N	431.537	1.964	5	40	IDBB	
CC(C)CCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	32932679	TZCICHYYBHMOBF-UHFFFAOYSA-N	426.539	1.784	5	40	IDBB	
CCOCCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21	13786384	ZFBPIADCQDAHOZ-INIZCTEOSA-N	439.516	1.772	5	40	IDBB	
CCOC(=O)c1cc(C(=O)NC[C@H](C)C(=O)NCCCc2c[nH]nc2C)cc([N+](=O)[O-])c1	95397405	MXBMHXCUNGBZMF-ZDUSSCGKSA-N	445.476	1.918	5	40	IDBB	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc([N+](=O)[O-])c2)c2c([nH]c(N)nc2=O)N1	8439392	CFROSEDAMXYLOG-HIFRSBDPSA-N	427.417	1.814	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@@H](C)C(=O)N2CCCCC2)CC1	79065406	JJVNPTWRCOHGPN-INIZCTEOSA-N	433.509	1.561	5	40	IDBB	
O=C(COC(=O)CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl	9284597	HLUGKLIZWXVQBS-HPQBHAKGSA-N	433.804	1.537	5	40	IDBB	
Cc1ccccc1C(=O)NN1C[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O	9591376	FIXCVUADQJHQMH-HNNXBMFYSA-N	425.397	1.823	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O	102128581	SAXXYWUVAGQSQK-ZIAGYGMSSA-N	433.417	1.650	5	40	IDBB	
Cc1ccc(Cn2c(Sc3c([N+](=O)[O-])ncn3C)nc3c2c(=O)n(C)c(=O)n3C)cc1	10386013	ZMRQLBNDWDAQMB-UHFFFAOYSA-N	441.473	1.583	5	40	IDBB	
COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	13134602	JMBVJENXPNAPFO-UHFFFAOYSA-N	443.821	1.700	5	40	IDBB	
COc1cc([C@@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCc1ccccc1	3298519	FZLMEGIFHBPIBC-MRXNPFEDSA-N	440.456	1.662	5	40	IDBB	
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1	12919192	MNDYRHGNYMEFGV-UHFFFAOYSA-N	433.486	1.956	5	40	IDBB	
Cc1ccnc2nc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nn12	9962411	QGZXSEQYBRHLMT-UHFFFAOYSA-N	435.194	1.899	5	40	IDBB	
C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1	23053393	SFUGHDIVPCUHMA-CYBMUJFWSA-N	434.474	1.570	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC1CCN(C)CC1)S(C)(=O)=O	216939175	MGQCTUVSFUIGNR-UHFFFAOYSA-N	428.511	1.218	5	40	IDBB	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)c3ccccc3C1=N2	2483878	STBQPUKVEJMZMN-HZPDHXFCSA-N	432.392	1.777	5	40	IDBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(CCN(C)C)CCN(C)C)c([N+](=O)[O-])c2)C1	72312230	CNPHFDBUCUWTPQ-QGZVFWFLSA-N	441.598	1.945	5	40	IDBB	
CC(C)[C@@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCOCC1	40040794	QOMIVTNJEFNPNB-OAHLLOKOSA-N	429.495	1.391	5	40	IDBB	
COc1ccc(NC(=O)[C@H](C)N2CCN(c3ccnc(N(C)C)n3)CC2)c([N+](=O)[O-])c1	72292479	XDJYDDMHMLIMLU-AWEZNQCLSA-N	429.481	1.609	5	40	IDBB	
CCOCCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cccc(C)c3nc21	100628074	TXTINNBUTXWXCG-INIZCTEOSA-N	439.516	1.772	5	40	IDBB	
CCOC(=O)c1cc(=N)n(CCCN2CCOCC2)c2nc3ccc(C)cn3c(=O)c12	792109	YETALAUFAJBVKW-UHFFFAOYSA-N	425.489	1.336	5	40	IDBB	
Cc1nn(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c(C)c1[N+](=O)[O-]	14390665	MADVZRAJARUNDW-UHFFFAOYSA-N	444.492	1.720	5	40	IDBB	
C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc2c(c1)OCO2	9584228	JPAZGHHDLSZHNQ-SNVBAGLBSA-N	441.352	1.490	5	40	IDBB	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1Cc1ccccc1	13730663	OMAILDRIPQYTJF-PGRDOPGGSA-N	436.424	1.621	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	226649632	YJYKEMPJNIRDIO-ZGPJWRFFSA-N	444.396	1.477	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408670135	XEUMJMUPXZRORF-LFSCOCTRSA-N	445.428	1.506	5	40	IDBB	
O=C(CC1(Cn2cnnn2)CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	604405971	VEBOIMLNPCCONT-CVEARBPZSA-N	441.492	1.730	5	40	IDBB	biogenic
CN1CCN(S(=O)(=O)c2ccc(N3CCc4ccc(O)cc4CC3)c([N+](=O)[O-])c2)CC1	58298264	OGMPFDIQSGALCF-UHFFFAOYSA-N	446.529	1.842	5	40	IDBB	
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCO)c2=N)cc1C	100942165	KRCYRXYOEGNNGI-UHFFFAOYSA-N	438.509	1.879	5	40	IDBB	
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)cc1OC	104128489	UWFOXJYVQARMGP-FUHWJXTLSA-N	427.369	1.913	5	40	IDBB	
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	4850938	QLILTDAVUOJVNJ-FQEVSTJZSA-N	425.489	1.947	5	40	IDBB	
COc1ccc(CN2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)c(OC)c1OC	549467068	BLKOMFAZFDMNHJ-UHFFFAOYSA-N	447.492	1.897	5	40	IDBB	
COC(=O)c1sccc1NC(=O)CN(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	8672183	BAHPMAWSJMLWFZ-UHFFFAOYSA-N	428.448	1.207	5	40	IDBB	
COc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4[nH]c(=O)c(=O)n(C)c4c3c2)cc1	9560759	NEKWOFOCHXTXHW-UHFFFAOYSA-N	429.410	1.143	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H](CO)Cc1ccco1	24205802	ICXHFOMPBZCROI-CQSZACIVSA-N	425.463	1.472	5	40	IDBB	
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3434075	NXKBPTIHGBYEQK-NSHDSACASA-N	447.425	1.632	5	40	IDBB	
CCNC(=O)[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	12855109	LTUUGWKCZWHZLL-LLVKDONJSA-N	446.913	1.290	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CNC(=O)COc2ccccc2)c(C)cc1[N+](=O)[O-]	9493075	WITLDWHDALTYDH-UHFFFAOYSA-N	431.401	1.589	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)cc1[N+](=O)[O-]	13072302	WMQLOMGTBCYHSS-KBPBESRZSA-N	445.428	1.735	5	40	IDBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(C)=O)C2=O)o1	109039999	IGABKTRLMDHZSX-JYRVWZFOSA-N	429.341	1.993	5	40	IDBB	
CCCCn1c(N)c(N(C(=O)COc2cccnc2[N+](=O)[O-])C2CCCC2)c(=O)[nH]c1=O	12523237	BADDSWLDTFVFPV-UHFFFAOYSA-N	446.464	1.577	5	40	IDBB	
COC(=O)[C@H](C)Sc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	16890881	XMQKDNMMEQQLFB-VIFPVBQESA-N	431.430	1.256	5	40	IDBB	
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408533056	JGOATHZJYMGNRO-UHFFFAOYSA-N	426.886	1.940	5	40	IDBB	
COc1cccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1	224058669	RJMJEUYPVOOBNO-UHFFFAOYSA-N	437.474	1.873	5	40	IDBB	
Cc1ccc(C(=O)NCCCNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cn1	9192536	SZLNNDFOMCHWRY-UHFFFAOYSA-N	427.461	1.685	5	40	IDBB	
CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408645845	MUAHSMRWJPEZJN-UHFFFAOYSA-N	449.441	1.899	5	40	IDBB	
O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	20153143	VTGLENBILQPOFS-UHFFFAOYSA-N	446.441	1.962	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	138679100	KYLKCLHWONXPPH-MFCZKXCZSA-N	430.369	1.169	5	40	IDBB	
Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12922989	WVMAZLQCBCQOOE-CMDGGOBGSA-N	433.490	1.491	5	40	IDBB	
NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	17096436	CHZNSMZTFNAEHW-UHFFFAOYSA-N	429.458	1.657	5	40	IDBB	
Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC(O)(CN2CCOCC2)CC1	95462064	TVQGZZLXLYCOJT-UHFFFAOYSA-N	433.914	1.404	5	40	IDBB	
Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-]	224430132	GTOATAGBYUHXOF-UHFFFAOYSA-N	449.485	1.733	5	40	IDBB	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(Cc2nnc3n2CCCCC3)CC1	40105638	UPUDKKKRZHXPRI-UHFFFAOYSA-N	434.522	1.728	5	40	IDBB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1	408667055	IYEPUJVJKRFJHV-AWEZNQCLSA-N	441.396	1.916	5	40	IDBB	
Cn1c(N)c(C(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c(=O)n(C)c1=O	9283561	FSDMGQLEFAGWLY-UHFFFAOYSA-N	446.492	1.990	5	40	IDBB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccc(F)cc2)CC1	9742206	CFFVOHGZWLUNNQ-LJQANCHMSA-N	429.452	1.777	5	40	IDBB	
CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccco2)cc1[N+](=O)[O-]	9960592	MCCLYFYCUIRXQF-UHFFFAOYSA-N	443.459	1.048	5	40	IDBB	
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NC(=O)c1cccc([N+](=O)[O-])c1	3454288	HMCPKVSYOZQIEN-HNNXBMFYSA-N	429.410	1.898	5	40	IDBB	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCc1ccccc1CN1CCOCC1	21935282	QIXZZOUCGZTTTR-UHFFFAOYSA-N	440.456	1.469	5	40	IDBB	
O=C(CSc1ncn[nH]1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	20478836	IMXRDUZTZIHLAP-UHFFFAOYSA-N	426.461	1.733	5	40	IDBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)NCCc1csc(N(C)C)n1	89326842	HCJPWPMYWBDOJJ-LBPRGKRZSA-N	441.535	1.921	5	40	IDBB	
CN(C[C@@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	12522821	BIAVZFVUDHHLBL-MRXNPFEDSA-N	449.485	1.892	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2ON=C(c3cccc(OC)c3OC)[C@H]2C1=O	102557421	LULKPPQXBCOLNF-CRAIPNDOSA-N	427.369	1.913	5	40	IDBB	
CCCCn1nnc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1	17098808	HZQRHDNXGIPBMH-UHFFFAOYSA-N	434.482	1.345	5	40	IDBB	
Cn1c(=O)c2c(nc3n2CC(c2ccc([N+](=O)[O-])cc2)=NN3Cc2ccccc2)n(C)c1=O	9243521	SAAUETKITCGIIB-UHFFFAOYSA-N	445.439	1.766	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1COc2ccccc2O1	9539700	ROLKKTMLYCMJLF-AWEZNQCLSA-N	435.458	1.868	5	40	IDBB	
Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1C	13075117	YQGPTBCCRWXRDO-UHFFFAOYSA-N	439.421	1.811	5	40	IDBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	13120389	JEWNYWIRCXUNKJ-INIZCTEOSA-N	447.425	1.705	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(N)=O)N1C=Cc3ccccc3[C@@H]21	13758124	BFKGBFCJAUDESU-RDGPPVDQSA-N	434.408	1.604	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H](CO)Cc1ccco1	24205807	ICXHFOMPBZCROI-AWEZNQCLSA-N	425.463	1.472	5	40	IDBB	
O=C1C[C@@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)CN1Cc1ccco1	1547208576	RYCFQYZPRBQEMQ-QLFBSQMISA-N	426.429	1.344	5	40	IDBB	biogenic
CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-]	9550532	GAHIDBDBVCQSIQ-GFCCVEGCSA-N	445.519	1.539	5	40	IDBB	
Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-]	12537429	AQTABMCKOULRIL-HXUWFJFHSA-N	440.456	1.968	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCN2C(=O)c3ccccc3C2=O)CC1=O	408657720	IXRGMNWKKPFVGJ-GFCCVEGCSA-N	439.380	1.753	5	40	IDBB	
CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)CC1	2728455	AQDCMXURPFIADS-UHFFFAOYSA-N	441.897	1.601	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	409145740	PNKGIHMCMWDOOK-BWMZKYQQSA-N	430.369	1.250	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	1697633	KIVUUGOHUTXCSA-UHFFFAOYSA-N	442.431	1.156	5	40	IDBB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1[N+](=O)[O-]	17965171	OUYUYWGSXGTEKW-UHFFFAOYSA-N	437.449	1.818	5	40	IDBB	
NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	9120869	FYGDYPIQGVKOQK-UHFFFAOYSA-N	448.457	1.638	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	220388245	CEWKOSSTHBDLAV-AWEZNQCLSA-N	441.506	1.859	5	40	IDBB	
COc1cccc(NCCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1	32916102	DIFWRTVFUXCDAO-UHFFFAOYSA-N	448.501	1.939	5	40	IDBB	
CC(=O)c1ccc(NC(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	3261876	LJAHQBWKGYNRLD-UHFFFAOYSA-N	439.380	1.965	5	40	IDBB	
C[C@H]1CCCN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C1	13126765	GWHXNEACRWHVJR-JKSUJKDBSA-N	427.523	1.851	5	40	IDBB	
O=c1c2ccc3c(=O)n(Cc4ccccn4)c(=O)c4ccc(c(=O)n1Cc1ccccn1)c2c34	59315208	UGEJGQFICYNFMI-UHFFFAOYSA-N	448.438	1.952	5	40	IDBB	
COc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc([N+](=O)[O-])c1)CN=3)C(=O)N2	2259732	SWIHKQFNHWVCTQ-MSUUIHNZSA-N	437.437	1.033	5	40	IDBB	
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	4850934	QLILTDAVUOJVNJ-HXUWFJFHSA-N	425.489	1.947	5	40	IDBB	
Nc1ccc(NC(=O)C[C@H](NCCNc2ccccc2[N+](=O)[O-])C(=O)O)cc1[N+](=O)[O-]	65090388	KPGICXATFHSFFG-AWEZNQCLSA-N	432.393	1.569	5	40	IDBB	
O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O)N1CCOCC1	409138930	JZKZLMDBRZRQBN-WUXMJOGZSA-N	427.822	1.849	5	40	IDBB	
COc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)c([N+](=O)[O-])c1	72293459	XDBJNRZAOPUBRR-UHFFFAOYSA-N	443.459	1.551	5	40	IDBB	
Cc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	4850994	RKJWBPWFUBVTNM-FQEVSTJZSA-N	425.489	1.947	5	40	IDBB	
O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	8754822	IPSBCAHJNBCBLS-UHFFFAOYSA-N	441.469	1.927	5	40	IDBB	
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCO2	8687969	GXFJBZSCUWUXSM-UHFFFAOYSA-N	429.385	1.956	5	40	IDBB	
Cc1ccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	8927566	PPADDWKSEWGDPZ-MRXNPFEDSA-N	425.397	1.823	5	40	IDBB	
C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	30544702	XOVQNDIRUYBUAI-QGZVFWFLSA-N	441.488	1.683	5	40	IDBB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	408655193	LJPTZTBIBDGHOP-HNNXBMFYSA-N	440.412	1.578	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc2nnn(OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2c1	2647366	BIMSSVPPRHEMCE-UHFFFAOYSA-N	435.418	1.085	5	40	IDBB	
Cc1nn(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(C)c1[N+](=O)[O-]	2635891	ACLOSMRMCSTVDU-UHFFFAOYSA-N	441.897	1.595	5	40	IDBB	
O=C([C@H]1COc2ccccc2C1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12787880	KJRRFQZISNSYLF-MRXNPFEDSA-N	431.470	1.679	5	40	IDBB	
C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])NS(=O)(=O)c1ccccc1[N+](=O)[O-]	1834334	NRHLIXCUGCGNFW-NSHDSACASA-N	444.447	1.148	5	40	IDBB	
CNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CCN(C)CC1	216791875	JFZSYNKBBITFRT-UHFFFAOYSA-N	433.490	1.507	5	40	IDBB	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1NCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl	575421843	RZCKIAWLJOQXFS-MNOVXSKESA-N	430.697	1.336	5	40	IDBB	
C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1=O	14094716	OAKAHJRZUZZTST-LJQANCHMSA-N	446.441	1.404	5	40	IDBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O)N1CCOCC1	214284257	COGNKZDXYKHPFD-WUXMJOGZSA-N	438.374	1.104	5	40	IDBB	
Cc1c(N(CC(=O)NC[C@H]2COc3ccccc3O2)S(C)(=O)=O)cccc1[N+](=O)[O-]	260888565	BLAOMHPDMXKMSR-AWEZNQCLSA-N	435.458	1.625	5	40	IDBB	
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12	1547138186	XUCDAWQIRWBRIK-PAODICLVSA-N	438.484	1.684	5	40	IDBB	
CCN1CCN(c2ccc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nn2)CC1	4583388	JQTXGBXMOFHMSJ-UHFFFAOYSA-N	425.493	1.489	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)c(C)c1	14665615	DMWDAUTVPSVPJI-UHFFFAOYSA-N	435.506	1.558	5	40	IDBB	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	32999803	JBTBKKONIYUWRM-WMLDXEAASA-N	427.413	1.569	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O	218431283	DZXNGDONNKQNNQ-UHFFFAOYSA-N	437.430	1.779	5	40	IDBB	
COCCCNC(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	32829174	GDJFLJDXTSHOIH-UHFFFAOYSA-N	449.386	1.797	5	40	IDBB	
Cc1ccc(S(=O)(=O)N(CCOC(=O)Nc2nonc2C)[N+](=O)[O-])cc1[N+](=O)[O-]	10490847	NBWIGAVHRUXSLG-UHFFFAOYSA-N	430.355	1.026	5	40	IDBB	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(S(N)(=O)=O)cc1)C2=O	9216139	WLJKTYNGQFXUDJ-KRWDZBQOSA-N	443.441	1.239	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	408654165	JYCFHKRMXBBSHY-AWEZNQCLSA-N	440.412	1.578	5	40	IDBB	
COc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1[N+](=O)[O-]	9631241	DXHFZIXPJANVHK-UHFFFAOYSA-N	437.430	1.649	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c([N+](=O)[O-])c1	25403511	GGBDXMLKNODXFG-FQEVSTJZSA-N	440.456	1.826	5	40	IDBB	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-]	40072475	NXZFJOUGXXQTFE-GASCZTMLSA-N	426.495	1.015	5	40	IDBB	
COc1cc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]	219824281	ZAODKQPWWSCJQN-UHFFFAOYSA-N	435.458	1.515	5	40	IDBB	
COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(S(N)(=O)=O)ccc21	100872884	DPGLBVRDMCRWSR-ZPHPHTNESA-N	436.471	1.646	5	40	IDBB	
COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1	9570156	OVZMHKHHHDXWMT-UHFFFAOYSA-N	448.501	1.485	5	40	IDBB	
O=C1/C(=C/N[C@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]	19881289	KKEMUZPWDLVBMU-XDUBLRSXSA-N	427.438	1.899	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408659691	MPPWOVQWXQMIFQ-VQOQZMAISA-N	429.429	1.805	5	40	IDBB	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccccc1CN1CCOCC1	24378840	OWZNHZVNCBQPQE-UHFFFAOYSA-N	438.440	1.339	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C[C@H](O)c2ccc3c(c2)OCO3)CC1	58162100	IEZBSLUNRKDPIY-KRWDZBQOSA-N	449.485	1.672	5	40	IDBB	
CN(C)C(=O)N1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C(C)(C)C1	95991571	NAUYUHLMVUVWFW-UHFFFAOYSA-N	433.465	1.887	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408660262	NGKHNOLFQHAVAK-VQOQZMAISA-N	427.413	1.581	5	40	IDBB	
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1OC	899672	SZIYDTFOOIAGAJ-UHFFFAOYSA-N	435.458	1.759	5	40	IDBB	
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@@H]12	100942597	CSWNUPOLUWUUAZ-WMZOPIPTSA-N	438.396	1.901	5	40	IDBB	
CCCCn1nnc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	17098810	JHVCZCOTQHSZON-UHFFFAOYSA-N	434.482	1.345	5	40	IDBB	
CCOC(=O)CSc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1	84793510	SRQXMLFTLMQDLO-UHFFFAOYSA-N	434.477	1.911	5	40	IDBB	
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(CCO)CC3)c(O)n2n1	15391755	SWPKUUQWGXXGBB-INIZCTEOSA-N	432.506	1.666	5	40	IDBB	
CC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222528140	WBJHKKIZEKKMMO-MRXNPFEDSA-N	427.479	1.551	5	40	IDBB	
COC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1	408653607	IXPXMEKFINPEPU-AWEZNQCLSA-N	441.396	1.916	5	40	IDBB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	12521697	XJPRJXNEDAJIFM-STQMWFEESA-N	434.540	1.223	5	40	IDBB	
CCCn1c(N)c(N(CCOC)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)[nH]c1=O	13134212	ZDNAMYKNMFAAKO-UHFFFAOYSA-N	425.829	1.384	5	40	IDBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1	224810392	HRRFLRVYLYIQQU-UHFFFAOYSA-N	440.430	1.989	5	40	IDBB	
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1	408656775	JBTVDDMJRIHEQD-AWEZNQCLSA-N	440.412	1.578	5	40	IDBB	
Cc1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N(C)C	12975143	KZJSANOHJSWLRP-UHFFFAOYSA-N	434.474	1.912	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	12909980	NSYXGTXKZKZHDH-UHFFFAOYSA-N	439.515	1.989	5	40	IDBB	
Cc1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1	15266294	GHUVHQRFAAMBJC-SFHVURJKSA-N	435.502	1.649	5	40	IDBB	
CS(=O)(=O)c1ccc(N2CCN(C(=O)CCCCc3cn[nH]n3)CC2)c([N+](=O)[O-])c1	96013679	HWVSXUUBVUCIEU-UHFFFAOYSA-N	436.494	1.178	5	40	IDBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1	408690101	ZRIBPRQKPIADKL-UHFFFAOYSA-N	426.341	1.892	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1CCS(=O)(=O)C1	9139506	JMTDICAXHQNVSZ-ZCFIWIBFSA-N	433.342	1.396	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	220409636	WTVZCQBFYKJAAC-CYBMUJFWSA-N	427.479	1.551	5	40	IDBB	
CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N1CCOCC1	8987480	IHJNHCVNAFKZJJ-LRDDRELGSA-N	441.868	1.793	5	40	IDBB	
Cn1nnnc1Sc1ccc(C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-]	9665979	ZEKXEWXLBSSWSK-UHFFFAOYSA-N	435.447	1.169	5	40	IDBB	
NC(=O)CCN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1	32858044	BKUZGJWNBODVME-UHFFFAOYSA-N	425.489	1.621	5	40	IDBB	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc2c(c1)OCCO2	2634156	ICXVYZXVHCXWJX-UHFFFAOYSA-N	440.364	1.778	5	40	IDBB	
O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCCCN1CCN(c2ncccn2)CC1	32333608	WVXLPMPZPMESEC-ONEGZZNKSA-N	440.460	1.455	5	40	IDBB	
O=CN1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1	13669865	KCNRZRAJGRDTMH-UHFFFAOYSA-N	432.458	1.091	5	40	IDBB	
CCOC(=O)C1=C(CN2CCC3(CC2)OCCO3)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1	67286270	AJYODRQWECQSCX-SFHVURJKSA-N	446.460	1.605	5	40	IDBB	
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	9741417	UHDXSPVVVXDELW-HXUWFJFHSA-N	441.488	1.647	5	40	IDBB	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-]	89651382	QHUKULGKMNNBKW-UHFFFAOYSA-N	447.469	1.821	5	40	IDBB	
Cc1noc(C)c1S(=O)(=O)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	57364645	VWYOTWLLSSRTTO-CYBMUJFWSA-N	437.478	1.533	5	40	IDBB	
CCOC(=O)C1=C(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)NC(=O)N[C@H]1C	9129453	SYGHSDKISKPVTL-LBPRGKRZSA-N	448.432	1.107	5	40	IDBB	
CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCC(C)CC2)cc1[N+](=O)[O-]	9550864	SHNIQSNSCCLHFO-UHFFFAOYSA-N	445.519	1.397	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)CC(C)C	103628472	LXMOLVNWKWRTTJ-GFMRDNFCSA-N	426.473	1.946	5	40	IDBB	
O=C(OCCN1CCCC1=O)c1ccc(C(=O)OCCN2CCCC2=O)c([N+](=O)[O-])c1	12311271	ZAOKTBDVZDBGCU-UHFFFAOYSA-N	433.417	1.153	5	40	IDBB	
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	22610122	VNSGTNQYYFKSSB-CQSZACIVSA-N	426.433	1.979	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408671395	XZQCCMCIPBOOKP-WPEKQRQUSA-N	443.412	1.281	5	40	IDBB	
Cc1c(NC(=O)c2c(NC(=O)CCn3cc(Cl)c([N+](=O)[O-])n3)cnn2C)cnn1C	2732543	YSKAHULZAYFFTM-UHFFFAOYSA-N	435.832	1.501	5	40	IDBB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	3442479	ZCVWXYPPHBNLTF-UHFFFAOYSA-N	446.368	1.972	5	40	IDBB	
Nc1nc(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n[nH]1	20096338	NCBPZTSUOWVZKB-UHFFFAOYSA-N	441.476	1.315	5	40	IDBB	
CNc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	8726435	GGRXBZWFMULXBX-UHFFFAOYSA-N	434.474	1.587	5	40	IDBB	
Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1	58003136	SUCMWKNKXBLMJL-UHFFFAOYSA-N	441.897	1.676	5	40	IDBB	
Cn1ccnc1C(=O)c1ccc(N2CCCC[C@H]2CCNS(C)(=O)=O)c([N+](=O)[O-])c1	79017465	PWVJDYNOKKOYDP-HNNXBMFYSA-N	435.506	1.858	5	40	IDBB	
C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	11468490	NCMYTCRPPLDHCQ-CYBMUJFWSA-N	435.458	1.958	5	40	IDBB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	9883246	NHDYBXHGYZUWSX-LBPRGKRZSA-N	439.421	1.891	5	40	IDBB	
Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-]	40072493	LEUYJSJVZFVGPF-GASCZTMLSA-N	426.495	1.015	5	40	IDBB	
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	13032160	ZMPVHEPJTOHGLW-FOIQADDNSA-N	440.456	1.906	5	40	IDBB	
CN(C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	22847067	VDFUZOXDJJQOOY-JTQLQIEISA-N	435.252	1.160	5	40	IDBB	
Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1	138520647	WRVOPWZUGNVIQX-OAHLLOKOSA-N	440.412	1.578	5	40	IDBB	
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	24865509	VRDUOFVJRFUAIS-NSHDSACASA-N	434.430	1.385	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222522227	NLTTWRXALCOVEJ-QGZVFWFLSA-N	441.506	1.941	5	40	IDBB	
O=C(O)C1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)O)c([N+](=O)[O-])c2)CC1	8857438	TUGJYMVTVLKNPH-AWEZNQCLSA-N	427.435	1.134	5	40	IDBB	
CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])N(C)C	12634082	UOVJAJJKJVECLL-MRXNPFEDSA-N	427.571	1.919	5	40	IDBB	
C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccc2c(c1)OCCO2	20896904	XDFOSHWENOJCTF-LBPRGKRZSA-N	431.401	1.954	5	40	IDBB	
O=C(CSc1cn[nH]n1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	9289068	RYEDTVWUBJUQCV-UHFFFAOYSA-N	426.461	1.733	5	40	IDBB	
COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	16189695	AOVXSXHAMSZNHD-IFXJQAMLSA-N	428.788	1.765	5	40	IDBB	
NC(=O)c1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCC2	20889995	UJHRWIXLKZJXLY-UHFFFAOYSA-N	448.457	1.444	5	40	IDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	8801787	VCKGNBMRCSLDNW-UHFFFAOYSA-N	439.402	1.004	5	40	IDBB	
Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-]	8824947	XCZMBSHJZLEOCN-UHFFFAOYSA-N	439.384	1.865	5	40	IDBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	13120482	VKUFFNVBHZSYMQ-INIZCTEOSA-N	447.425	1.705	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	138677146	YJYKEMPJNIRDIO-OPOADAIRSA-N	444.396	1.477	5	40	IDBB	
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2	89807009	KDTMOOLFLZFLCJ-UHFFFAOYSA-N	443.412	1.633	5	40	IDBB	
COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(S(N)(=O)=O)ccc21	100872918	AKXGSXQPNHIQTD-ICFOKQHNSA-N	442.500	1.707	5	40	IDBB	
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1	3624407	GUKMLDDVRLIMLI-BXKDBHETSA-N	433.442	1.774	5	40	IDBB	
N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1CCO	100939511	XIZSVSZFYKKWHA-UHFFFAOYSA-N	430.873	1.607	5	40	IDBB	
NS(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1Cl	3498306	NVUQFNYWZBJKIT-UHFFFAOYSA-N	431.785	1.830	5	40	IDBB	
CN1CCN(n2c3c(c(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nc2=O)CCC3)CC1	10255129	ZQNNLJZAQBADGA-UHFFFAOYSA-N	444.517	1.254	5	40	IDBB	
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	12342633	PMBLPAIHZHAQLZ-FQEVSTJZSA-N	441.488	1.647	5	40	IDBB	
NS(=O)(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)c([N+](=O)[O-])c1	58229905	YKCZTYNZLIPMSI-UHFFFAOYSA-N	430.446	1.081	5	40	IDBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-]	11672298	DXIVQOXKNGERIW-UHFFFAOYSA-N	446.397	1.844	5	40	IDBB	
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	25403626	GAYMMPJXKMEEBD-MGPUTAFESA-N	440.456	1.906	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	408654252	GCSYHLJRJIBSOT-YMKFXDTLSA-N	445.428	1.505	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(OCn2nnc3ccccc3c2=O)c([N+](=O)[O-])c1	9466780	RBCYWYQFCYJRMM-UHFFFAOYSA-N	433.446	1.767	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1	15391629	VNYGOSRQQPWWHJ-UHFFFAOYSA-N	448.505	1.041	5	40	IDBB	
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)c(OC)c1	104046599	ONUKRBYQSGVVLA-SJLPKXTDSA-N	427.369	1.913	5	40	IDBB	
O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	11059419	YOSLBORFXCUMMS-UHFFFAOYSA-N	433.398	1.539	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	9933305	IWXXPEWAXZHNDV-CQSZACIVSA-N	441.487	1.853	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CC(=O)Nc2ccccc21)S(C)(=O)=O	408629722	GXRGOPWHXQWATQ-UHFFFAOYSA-N	434.430	1.355	5	40	IDBB	
COc1ccc(-c2noc(C(=O)NCCNC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)n2)cc1	15082213	LBEDISXPPCFDSC-UHFFFAOYSA-N	443.420	1.013	5	40	IDBB	
COc1cc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1O	19868062	JMAFAOJHDOSICZ-UHFFFAOYSA-N	437.474	1.824	5	40	IDBB	
Nc1nc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)ncc1[N+](=O)[O-]	32927113	QQIMZPNBNFSREE-UHFFFAOYSA-N	425.371	1.747	5	40	IDBB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018283	JNPDFZKLVBIOEH-JKSUJKDBSA-N	432.389	1.176	5	40	IDBB	
CCN1CCN(c2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn2)CC1	4583389	BTYSNCMBNYBZSI-UHFFFAOYSA-N	425.493	1.489	5	40	IDBB	
CNS(=O)(=O)c1ccc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)c([N+](=O)[O-])c1	12537242	PFERHIUEJIYJOJ-OAHLLOKOSA-N	439.538	1.026	5	40	IDBB	
O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20616787	JDYLZBZRFKUEAL-UHFFFAOYSA-N	437.456	1.727	5	40	IDBB	
Cc1c(NC(=O)CN2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cccc1[N+](=O)[O-]	12540805	ZBZOYMWGYMBHKK-FQEVSTJZSA-N	440.456	1.968	5	40	IDBB	
COC[C@H](C)NS(=O)(=O)c1ccc(N2CCN(c3cnccn3)CC2)c([N+](=O)[O-])c1	9118660	WJZBDEDYVVJQTB-AWEZNQCLSA-N	436.494	1.025	5	40	IDBB	
O=C(c1cc(-c2ccco2)[nH]n1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	23055895	ZHKUPWFHYITRCE-UHFFFAOYSA-N	431.430	1.725	5	40	IDBB	
CN(C)CCCNS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1	9493699	LKAJQYWDPOOETO-UHFFFAOYSA-N	448.549	1.546	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(=O)Cc2ccccc2)c([N+](=O)[O-])c1	21998362	XPBSMLFXSJNSRS-UHFFFAOYSA-N	449.485	1.890	5	40	IDBB	
CN(C[C@H]1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	12522822	BIAVZFVUDHHLBL-INIZCTEOSA-N	449.485	1.892	5	40	IDBB	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]	9339507	KCEGHHSFEGAKNM-KRWDZBQOSA-N	445.497	1.955	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408660261	NGKHNOLFQHAVAK-NUTGUDPMSA-N	427.413	1.581	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N/C(=O)c1ccncc1	2722736	SXGQKRMDOXRNTQ-LHLOQNFPSA-N	447.451	1.608	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(NC(C)=O)cc1)S(C)(=O)=O	408543367	CZOPXGFVBMFFGF-UHFFFAOYSA-N	436.446	1.967	5	40	IDBB	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCc2ccccc2C1	2660553	LNBUDBJCLRYBCU-UHFFFAOYSA-N	437.408	1.709	5	40	IDBB	
Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1	15952820	FZJCQERXUPFLMW-KRWDZBQOSA-N	444.495	1.941	5	40	IDBB	
CC[C@@H](C)NC(=O)CN1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1	69929636	DUTATCXUEMVAKL-OAHLLOKOSA-N	428.493	1.596	5	40	IDBB	
CN(C)C(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	8646804	ADIGLOSUGDFRGF-OAQYLSRUSA-N	439.428	1.702	5	40	IDBB	
C[C@@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	1561781875	SXOJQWGWMNMVRT-NSHDSACASA-N	431.467	1.900	5	40	IDBB	
Cc1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)ccc1[N+](=O)[O-]	12983114	OULBNUUUNDOEAL-UHFFFAOYSA-N	433.486	1.995	5	40	IDBB	
COCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)n1	40398972	ZSEMNXCIXGPFTE-UHFFFAOYSA-N	430.424	1.963	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@@H]2C(C)C)cc1[N+](=O)[O-]	95471428	DOTVYQZLQRHKAV-KRWDZBQOSA-N	426.495	1.644	5	40	IDBB	
CC[C@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222542007	HYOCPAYRDNFHHJ-MRXNPFEDSA-N	441.506	1.859	5	40	IDBB	
Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C)c1[N+](=O)[O-]	9438875	WMSHCIBJLMYUBE-UHFFFAOYSA-N	431.434	1.638	5	40	IDBB	
CCOCCCn1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12	13758683	IBLLIDVZAFQJDQ-UHFFFAOYSA-N	426.433	1.688	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)Cc2c(C)nn(C)c2C)CC1	10141538	CGNPYBJWIFIVBZ-UHFFFAOYSA-N	435.506	1.329	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C[C@@H](O)c2ccc3c(c2)OCO3)CC1	58162101	IEZBSLUNRKDPIY-QGZVFWFLSA-N	449.485	1.672	5	40	IDBB	
O=C(CN1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc([N+](=O)[O-])cc1	8742097	GVILSEWHFVQMTD-UHFFFAOYSA-N	442.432	1.698	5	40	IDBB	
NC(=O)c1ccsc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	8825852	ILSBEMQYLHVVFD-UHFFFAOYSA-N	434.430	1.387	5	40	IDBB	
O=c1[nH]c(=S)[nH]c2c1[C@H](c1cc([N+](=O)[O-])c(N3CCOCC3)cc1N1CCOCC1)O2	13523705	URWSGDPPIZGQRJ-INIZCTEOSA-N	447.473	1.496	5	40	IDBB	
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1	9569886	JADSUVZEUZZEJE-UHFFFAOYSA-N	436.465	1.616	5	40	IDBB	
O=C(NCCS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1	9569986	VMMDLGKYZORBHK-UHFFFAOYSA-N	436.465	1.616	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O	3282777	UTHRWBOGHBQROW-NSHDSACASA-N	427.369	1.770	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	15221832	KYLKCLHWONXPPH-NLDJYOPPSA-N	430.369	1.169	5	40	IDBB	
COc1cc([C@H](C[N+](=O)[O-])c2c(N)n(C)c(=O)n(C)c2=O)ccc1OCc1ccccc1	3298518	FZLMEGIFHBPIBC-INIZCTEOSA-N	440.456	1.662	5	40	IDBB	
COc1cccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCOCC2)c1	23107036	NFGLMSKSSCCVJD-LJQANCHMSA-N	428.445	1.732	5	40	IDBB	
O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9064945	FQBUMOPTHQWWNN-UHFFFAOYSA-N	446.445	1.971	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccncc1	96321740	SXGQKRMDOXRNTQ-QOMWVZHYSA-N	447.451	1.608	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	100341634	YPHCMQZMZYELOI-IPZZXCBHSA-N	430.369	1.250	5	40	IDBB	
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2	3434078	NXKBPTIHGBYEQK-LLVKDONJSA-N	447.425	1.632	5	40	IDBB	
Cc1nn(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)c(C)c1[N+](=O)[O-]	3455537	BAWGYNMIAXDUBY-UHFFFAOYSA-N	436.222	1.922	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21	19819951	KGTLDBKOHIZVKQ-GFCCVEGCSA-N	427.421	1.177	5	40	IDBB	
COc1cccc(C(=O)NN2CC3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)c1	35326648	DTTGZYWXBCUUQZ-GOSISDBHSA-N	437.412	1.741	5	40	IDBB	
CCOC(=O)N1CCC(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	36108847	LWIDUKCDBCKEGS-UHFFFAOYSA-N	426.495	1.522	5	40	IDBB	
O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCC(=O)NCc1ccccn1	97373359	QTDFNIWKIMIFEO-UHFFFAOYSA-N	427.417	1.501	5	40	IDBB	
O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	12973325	FGIBEBQGHHDUQC-UHFFFAOYSA-N	447.469	1.903	5	40	IDBB	
COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CN2CCN(C(C)=O)CC2)cc1=O	16890353	RNTIAXHTFAJIEU-UHFFFAOYSA-N	443.460	1.068	5	40	IDBB	
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1	23107520	QNYPBNKFMXRDHK-IBGZPJMESA-N	428.445	1.732	5	40	IDBB	
COc1ccc(NC(=O)C2(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)CCCC2)cc1OC	72310322	XOCKXXNHYIMPIF-UHFFFAOYSA-N	444.444	1.841	5	40	IDBB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncc([N+](=O)[O-])c(NC2CC2)n1	12929981	XZMOOCJBLZJHRQ-CQSZACIVSA-N	435.510	1.768	5	40	IDBB	
Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1[N+](=O)[O-]	12983296	ZUJNUCOHDFWRDY-UHFFFAOYSA-N	425.488	1.916	5	40	IDBB	
CCCNC(=O)CSc1nc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C	9517606	AJAVBUDTLCIQRE-UHFFFAOYSA-N	444.473	1.221	5	40	IDBB	
Cc1nc(SCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)sc1CC(N)=O	40025089	QUZPRCADKNPOGO-UHFFFAOYSA-N	435.531	1.828	5	40	IDBB	
COc1cc(OCC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)ccc1[N+](=O)[O-]	219824367	ONTDRALOBVVVEY-UHFFFAOYSA-N	435.458	1.822	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCCN1CCOCC1)S(C)(=O)=O	222376645	PRITUDBHOQQCOC-UHFFFAOYSA-N	442.538	1.288	5	40	IDBB	
CCCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	9352495	SGGABVMKJZXTBL-AWEZNQCLSA-N	430.504	1.656	5	40	IDBB	
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(S(=O)(=O)c2ccccc2F)CC1	22309477	DWXMVWHJBSQEEE-UHFFFAOYSA-N	448.432	1.294	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1	104729532	MXKLWYNIUDAOPX-UHFFFAOYSA-N	434.474	1.792	5	40	IDBB	
Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1	138520748	WRVOPWZUGNVIQX-HNNXBMFYSA-N	440.412	1.578	5	40	IDBB	
C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(S(N)(=O)=O)cc1	23053394	SFUGHDIVPCUHMA-ZDUSSCGKSA-N	434.474	1.570	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	224220751	UJYYETNDOZLXKR-UHFFFAOYSA-N	429.476	1.202	5	40	IDBB	
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	8825511	ARAHOKZGTNKJGC-UHFFFAOYSA-N	441.849	1.411	5	40	IDBB	
CCn1cc(S(=O)(=O)N(CC(=O)NC)Cc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])n1	533638164	NPUAWNNJAPKTEL-UHFFFAOYSA-N	449.411	1.767	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	8824854	GRYNABZOWANXIS-UHFFFAOYSA-N	425.394	1.503	5	40	IDBB	
COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2=O)cc1OC	9404009	HQEUDWYTDRNNBD-UHFFFAOYSA-N	430.348	1.843	5	40	IDBB	
NS(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1	12825244	XPHCMYWICWELSL-UHFFFAOYSA-N	449.363	1.836	5	40	IDBB	
CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1	20801144	FBEVVKIHOSNKJL-HOTGVXAUSA-N	447.448	1.075	5	40	IDBB	
COCCNC(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	32829164	AFMQVKQKMFNFOK-UHFFFAOYSA-N	435.359	1.406	5	40	IDBB	
Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	13856673	LRYUNZRUIKCBLF-MRXNPFEDSA-N	425.397	1.823	5	40	IDBB	
CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C	89575511	KIEPUBDBBNGULN-UHFFFAOYSA-N	432.455	1.793	5	40	IDBB	
Cc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	12989592	MQIKULKFSVSWNP-UHFFFAOYSA-N	433.486	1.995	5	40	IDBB	
CCNC(=O)COc1ccc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)cc1	23136403	KQDGLNOQNXAQHH-UHFFFAOYSA-N	428.401	1.474	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](C)OC)CC2)c([N+](=O)[O-])c1	48276806	BVAZHSHINAUUMO-AWEZNQCLSA-N	428.511	1.309	5	40	IDBB	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(=O)n2ccsc2n1	8880145	XTSYSHZRDYYNQM-UHFFFAOYSA-N	445.442	1.696	5	40	IDBB	
CCC1(CC)NC(=O)N(CC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1=O	10166409	DBOWPVDSMIDVCX-LLVKDONJSA-N	436.421	1.584	5	40	IDBB	
O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(C(=O)N2CCCCC2)CC1	14729544	KHJMYKCLGJFXFY-UHFFFAOYSA-N	431.493	1.795	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1	199415550	WYFHAKRGLYWDKF-IBGZPJMESA-N	441.440	1.982	5	40	IDBB	
COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1	9613869	JQMHCTKFPCFXLE-CYBMUJFWSA-N	441.535	1.691	5	40	IDBB	
O=C(CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cccc([N+](=O)[O-])c1	12537238	CKYKOMUIQAJAGM-IBGZPJMESA-N	426.429	1.660	5	40	IDBB	
COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C[C@@H]2CCCO2)c1=N	16742594	QHIAVCFCMYGZTN-HNNXBMFYSA-N	425.489	1.382	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	220404184	YZNAHOPHFMQHBK-ZDUSSCGKSA-N	428.467	1.050	5	40	IDBB	
O=C(CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21)Nc1cccc([N+](=O)[O-])c1	12537239	CKYKOMUIQAJAGM-LJQANCHMSA-N	426.429	1.660	5	40	IDBB	
O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(C(=O)c2cccs2)CC1	19531939	CGGOXBYNAGFRND-UHFFFAOYSA-N	443.529	1.763	5	40	IDBB	
CC[C@@H](C(=O)NCCCN1CCOCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222539907	LMIICFXHKLOHRS-KRWDZBQOSA-N	442.538	1.286	5	40	IDBB	
O=[N+]([O-])c1ncn(Cn2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)n2)n1	2803527	BQGYCXJEKQHIRO-UHFFFAOYSA-N	428.376	1.332	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O	223883070	SEUFOXAISPRONZ-UHFFFAOYSA-N	441.437	1.704	5	40	IDBB	
C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	40388807	DWBHPHIZJDPXTM-RISCZKNCSA-N	426.433	1.979	5	40	IDBB	
O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	84535869	BIEIUQDFFGXHKY-FXAWDEMLSA-N	436.472	1.788	5	40	IDBB	
CN1CCN(n2c3c(c(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)nc2=O)CCC3)CC1	10255128	LTKFRMIDYYMAMY-UHFFFAOYSA-N	444.517	1.254	5	40	IDBB	
COc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	9741454	DVTILAUEQGPHQL-HXUWFJFHSA-N	441.488	1.647	5	40	IDBB	
CCSc1nnc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)s1	225536852	UJBVKBCORKVEFU-UHFFFAOYSA-N	447.520	1.972	5	40	IDBB	
COC(=O)[C@H](C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1nc2cc(C)c(C)cc2[nH]c1=O	16957922	WEWYFGNDCXOALE-INIZCTEOSA-N	438.396	1.913	5	40	IDBB	
COc1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1OC	25337695	XNAHKEFXPKTMCR-UHFFFAOYSA-N	428.445	1.669	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	226650695	YPHCMQZMZYELOI-KQEPKPNTSA-N	430.369	1.250	5	40	IDBB	
C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	40388898	GDYGJZDLBYQZKW-NEPJUHHUSA-N	426.433	1.979	5	40	IDBB	
Cn1c(=O)nc2n(-c3ccc(N4CCOCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O	59497875	KMYPTMXBYNHYQH-UHFFFAOYSA-N	433.424	1.934	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)C1CC1	103629090	COCXJSFVSPLMQU-XPAHJXNJSA-N	436.468	1.842	5	40	IDBB	
CC(C)CN(C(=O)c1ccc([N+](=O)[O-])o1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32985925	OBRQNOACHQMJNI-UHFFFAOYSA-N	427.417	1.971	5	40	IDBB	
CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)ccc21	8779774	OEACVCQHUQKAAV-UHFFFAOYSA-N	433.442	1.929	5	40	IDBB	
NC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	408997389	GQCCODHIFAQKLB-INIZCTEOSA-N	429.385	1.491	5	40	IDBB	
O=C(C1=Cc2ccccc2OC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12754855	CMUGZWBHZZIOEK-UHFFFAOYSA-N	429.454	1.904	5	40	IDBB	
Cc1cccc(-c2noc(C(=O)NCCNC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)n2)c1	15082394	JFXAXIKAEDXRAW-UHFFFAOYSA-N	427.421	1.313	5	40	IDBB	
COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)c1	3624460	NENZIAUPGVSVSC-UHFFFAOYSA-N	434.438	1.111	5	40	IDBB	
COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1	9570154	PTWLUNYMHNBSDW-UHFFFAOYSA-N	448.501	1.485	5	40	IDBB	
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	40160221	WDXORWGTWRLWMI-OAHLLOKOSA-N	446.485	1.246	5	40	IDBB	
O=C(CN1CCCN(S(=O)(=O)c2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1	72307530	JLHVZMXSMWYLKC-UHFFFAOYSA-N	432.449	1.192	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N(C)C2CCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	84773622	DIZCKQFXCRNIRT-UHFFFAOYSA-N	448.567	1.486	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	220383247	WUPUTYRYUVWBEP-CQSZACIVSA-N	442.494	1.358	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	226649623	YJYKEMPJNIRDIO-KYFSNAEOSA-N	444.396	1.477	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1COc2ccccc2O1	9539701	ROLKKTMLYCMJLF-CQSZACIVSA-N	435.458	1.868	5	40	IDBB	
CC[C@H](C)NC(=O)CN1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1	69929639	DUTATCXUEMVAKL-HNNXBMFYSA-N	428.493	1.596	5	40	IDBB	
C[C@H]1C[C@H](C)CN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	32935535	KFHHNQSXGYARCI-IRXDYDNUSA-N	439.582	1.921	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	408667702	JQHJVBSFKRXQRU-HNNXBMFYSA-N	440.412	1.578	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O	103125862	ZQDIOHKJMQOZBB-KBPBESRZSA-N	431.401	1.426	5	40	IDBB	
Cc1c(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)ccc2c1oc(=O)c1ccccc12	2121937	PQFYKVVBDPNVMA-INIZCTEOSA-N	441.440	1.651	5	40	IDBB	biogenic
C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	8852908	YWNODQDHMNCXND-GJZGRUSLSA-N	441.506	1.499	5	40	IDBB	
CN1CCN(CCNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1	24528434	NAGJVNMJNNYMPY-UHFFFAOYSA-N	425.555	1.819	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](C)OC)CC2)c([N+](=O)[O-])c1	48276803	BVAZHSHINAUUMO-CQSZACIVSA-N	428.511	1.309	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3nc(N)ns3)CC2)c([N+](=O)[O-])c1	79061703	QFQSEXJITIVESV-UHFFFAOYSA-N	441.539	1.386	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	226649500	DBDFEEFLACXYLR-UIVXKWKOSA-N	430.369	1.169	5	40	IDBB	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc([N+](=O)[O-])c2)c2c([nH]c(N)nc2=O)N1	8439393	CFROSEDAMXYLOG-UKRRQHHQSA-N	427.417	1.814	5	40	IDBB	
CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222548839	ZFDNIPRHYXDYTB-OAHLLOKOSA-N	428.511	1.358	5	40	IDBB	
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1CN1CCOCC1	24379264	ZSAFNMJWKKRHNB-INIZCTEOSA-N	426.473	1.862	5	40	IDBB	
COCCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21	2424608	WBOAICAZTWXDAO-UHFFFAOYSA-N	428.445	1.747	5	40	IDBB	
O=C(NC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1cccc([N+](=O)[O-])c1	12499975	GMEYKERCPLLFGY-UHFFFAOYSA-N	447.469	1.949	5	40	IDBB	
COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408672924	PIRKUERSQVKPJC-MBZVMHRFSA-N	430.413	1.751	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408654256	GCSYHLJRJIBSOT-ZFNAHCARSA-N	445.428	1.505	5	40	IDBB	
CN(C[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	9120992	XOVSAEPLCILIEQ-OAHLLOKOSA-N	449.485	1.892	5	40	IDBB	
CCOCCCn1c(=O)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21	16741730	FFGQIJIJTMNCQL-OAHLLOKOSA-N	426.473	1.345	5	40	IDBB	
CCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1	10386097	JCRNRUOAAYTVCW-AWEZNQCLSA-N	446.464	1.374	5	40	IDBB	
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(CCO)CC3)c(O)n2n1	15391757	SWPKUUQWGXXGBB-MRXNPFEDSA-N	432.506	1.666	5	40	IDBB	
NC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	408997391	GQCCODHIFAQKLB-MRXNPFEDSA-N	429.385	1.491	5	40	IDBB	
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	1431527	GSOUJHSMHSBBFY-UHFFFAOYSA-N	434.426	1.655	5	40	IDBB	
CC(=O)NCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1	8826322	DFJGUPYXONMYGT-UHFFFAOYSA-N	431.401	1.700	5	40	IDBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	32999802	JBTBKKONIYUWRM-YOEHRIQHSA-N	427.413	1.569	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	408667703	JQHJVBSFKRXQRU-OAHLLOKOSA-N	440.412	1.578	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN([C@H](C)C(=O)N2CCCCC2)CC1	79065413	JJVNPTWRCOHGPN-MRXNPFEDSA-N	433.509	1.561	5	40	IDBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1	408686926	SRRFXECZRWADED-UHFFFAOYSA-N	426.341	1.892	5	40	IDBB	
CCC1(CC)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1=O	10166408	DBOWPVDSMIDVCX-NSHDSACASA-N	436.421	1.584	5	40	IDBB	
O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)NCCc1ccc2c(c1)OCCO2	12539112	UQIPMGOPOZSYGV-UHFFFAOYSA-N	426.473	1.847	5	40	IDBB	
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1	58067010	OFPLKHWAPKJOQE-UHFFFAOYSA-N	435.444	1.949	5	40	IDBB	
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2	9130828	VIOLSLBYZREVQE-UHFFFAOYSA-N	443.412	1.998	5	40	IDBB	
Cc1cc(NC(=O)CSCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)no1	11644758	QWEPSPXEVSPWPD-UHFFFAOYSA-N	426.382	1.884	5	40	IDBB	
O=C(NCCn1ncc2c(=O)n(Cc3ccccc3F)cnc21)c1ccc([N+](=O)[O-])o1	12071648	RIPITIWBRTWAHO-UHFFFAOYSA-N	426.364	1.712	5	40	IDBB	
Cc1cc(=O)nc2sc(N3CCN(C(=O)c4ccc(Cl)cc4[N+](=O)[O-])CC3)nn12	45914800	WZMGGDNLXLATHZ-UHFFFAOYSA-N	434.865	1.983	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	226649514	DBDFEEFLACXYLR-ZFCANOHDSA-N	430.369	1.169	5	40	IDBB	
CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O	408655545	HNXHDCXVJFLUSQ-WIOUJZMWSA-N	441.440	1.908	5	40	IDBB	
CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-]	9550533	GAHIDBDBVCQSIQ-LBPRGKRZSA-N	445.519	1.539	5	40	IDBB	
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	13120480	VKUFFNVBHZSYMQ-MRXNPFEDSA-N	447.425	1.705	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	40114691	MWXWUESGWVSDQH-RHSMWYFYSA-N	426.495	1.157	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1	12905549	FUSAYXHNRSSKPZ-UHFFFAOYSA-N	439.515	1.740	5	40	IDBB	
CNS(=O)(=O)c1ccc(NC[C@H](c2cccs2)N2CCN(C)CC2)c([N+](=O)[O-])c1	13040030	JDFOYFXENJQSQH-QGZVFWFLSA-N	439.563	1.965	5	40	IDBB	
C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)C[C@@H](C)O1	13769701	AXSLYFJCYUFESI-IYBDPMFKSA-N	427.509	1.903	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1	15929197	FXDHGPSQBGACBA-UHFFFAOYSA-N	429.458	1.926	5	40	IDBB	
NC(=O)c1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17096446	FHDBSRJOCXTBNY-UHFFFAOYSA-N	429.458	1.657	5	40	IDBB	
CC1CCC(NS(=O)(=O)c2ccc(-n3cc(Cl)c(=O)[nH]c3=O)c([N+](=O)[O-])c2)CC1	72307677	DOCZMOODSRFTKP-UHFFFAOYSA-N	442.881	1.944	5	40	IDBB	
O=C(CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1F	409213132	ORDAVZQFTIGZCG-AWNIVKPZSA-N	445.319	1.879	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NS(=O)(=O)c1ccccc1	9372965	WOWYAHIOHVKJPP-UHFFFAOYSA-N	427.460	1.417	5	40	IDBB	
COC(=O)C1=C(C)O[C@@H](CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	95444045	CKSXCEHRSJWMFB-OAHLLOKOSA-N	425.463	1.137	5	40	IDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1cc2[nH]c(=O)[nH]c2cc1Br	8825258	HCQUYADAJKXXRP-UHFFFAOYSA-N	425.151	1.915	5	40	IDBB	
C[C@H]1CN(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2[N+](=O)[O-])C[C@H](C)O1	8857434	YMGASQFYYDUPTE-STQMWFEESA-N	427.479	1.694	5	40	IDBB	
O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)N1CCN(C(=O)c2ccco2)CC1	24755647	FPJVVPBGYWGHJT-UHFFFAOYSA-N	433.442	1.808	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(CC(=O)NCc3ccccc3)CC2)cc1[N+](=O)[O-]	96129641	NJNOEYWYBZPBRB-UHFFFAOYSA-N	425.489	1.776	5	40	IDBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)cc21	408528666	GWCQMQGUEWCTLN-NVNXTCNLSA-N	445.457	1.444	5	40	IDBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)CC1	12929073	RKAOCCICGUONHM-UHFFFAOYSA-N	432.502	1.989	5	40	IDBB	
COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]	9569131	UNIYPLJHVWOCRC-UHFFFAOYSA-N	427.460	1.944	5	40	IDBB	
O=C(NCCOc1ccccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	12772150	WGTGCIOZSFYIQM-UHFFFAOYSA-N	434.474	1.690	5	40	IDBB	
COc1ccc(NC(=O)CN(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	12856289	OKUAAJODTPBWSW-UHFFFAOYSA-N	426.385	1.297	5	40	IDBB	
CC(C)(C)NS(=O)(=O)c1ccc(NNS(=O)(=O)c2ccccc2[N+](=O)[O-])nc1	32092739	HNNMVHXNYPBZIL-UHFFFAOYSA-N	429.480	1.372	5	40	IDBB	
O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])cc(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1	4265700	QDPJGMMWQOMSTB-UHFFFAOYSA-N	446.371	1.039	5	40	IDBB	biogenic
O=C1c2ccccc2C(=O)N1CCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21	1775974688	ZLHYGIHYOWNMSP-UHFFFAOYSA-N	444.407	1.846	5	40	IDBB	
CC1CCN(S(=O)(=O)c2ccc(NC3CCN(CC(N)=O)CC3)c([N+](=O)[O-])c2)CC1	12522744	PICYUDBYPSOKSZ-UHFFFAOYSA-N	439.538	1.377	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(c2ccccc2O)CC1	15208108	GOPJVBCGMRRRPP-UHFFFAOYSA-N	448.501	1.648	5	40	IDBB	
C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@@H](S(N)(=O)=O)C3)c([N+](=O)[O-])c2)C1	32911822	IPNOJERZUOTCDZ-DZGCQCFKSA-N	446.551	1.273	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCN2C(=O)c3ccccc3C2=O)c1	408668677	VLTCRFGCNGKMLU-UHFFFAOYSA-N	427.369	1.771	5	40	IDBB	
COC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1	58006464	UXOSUHJZHUZQCR-UHFFFAOYSA-N	437.430	1.236	5	40	IDBB	
CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c1	9097070	JHQRTONDUXRWLB-UHFFFAOYSA-N	437.430	1.406	5	40	IDBB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1	20674991	BRNPWFMQYZEMNX-CVEARBPZSA-N	447.448	1.075	5	40	IDBB	
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	25403621	GAYMMPJXKMEEBD-FOIQADDNSA-N	440.456	1.906	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	79092439	SURSEXAIYYQIFS-AWEZNQCLSA-N	428.511	1.733	5	40	IDBB	
Cc1ccc2nc(COC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc(=O)n2c1	9487179	IFBMPKPOSAYLIU-UHFFFAOYSA-N	436.380	1.641	5	40	IDBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc([N+](=O)[O-])c1O	409211534	JUVMTJSZQYLTJB-DKTFCQPKSA-N	437.430	1.641	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1F	9127584	PGCOJCALSZGKBF-UHFFFAOYSA-N	440.409	1.085	5	40	IDBB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)COc1ccccc1[N+](=O)[O-]	24069511	CBTMYLPHBLGIPW-HNNXBMFYSA-N	436.490	1.805	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1	408657864	PNQHVKHSLPZEGZ-CYBMUJFWSA-N	444.375	1.409	5	40	IDBB	
CC1CCN(S(=O)(=O)c2ccc(NCCC(=O)N3CCOCC3)c([N+](=O)[O-])c2)CC1	12597740	YUWJKEMBDDFAPV-UHFFFAOYSA-N	440.522	1.676	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O	22367192	MTNYPIKXWNFRIO-UHFFFAOYSA-N	436.490	1.622	5	40	IDBB	
O=C(c1ccc(-n2cccn2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	26941784	PXQOGJLKLZBBLV-UHFFFAOYSA-N	441.469	1.927	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NC(=O)NCc1ccco1	9633496	PBRKYTQBHCNGPE-UHFFFAOYSA-N	432.389	1.207	5	40	IDBB	
CC(=O)Nc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	14084715	JJWZKBTWNJTMPN-FQEVSTJZSA-N	425.401	1.959	5	40	IDBB	
CNC(=O)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1	40155594	JPRQSLWCAOFJKK-GOSISDBHSA-N	434.474	1.515	5	40	IDBB	
CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	14158219	DQTHIWWUNXPMAN-HXUWFJFHSA-N	425.401	1.360	5	40	IDBB	
O=C(COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c(c1)OCO2	3263787	DSDNUNLHSQAFKB-UHFFFAOYSA-N	441.352	1.492	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C)cc1	15978251	HMZGCJMQOLDXIO-UHFFFAOYSA-N	437.430	1.372	5	40	IDBB	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3[nH]nc(OC)c3[N+](=O)[O-])cc2)ncn1	8440409	MTVXITIYCYETAS-UHFFFAOYSA-N	449.405	1.178	5	40	IDBB	
Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	57380607	ZQNAUJULSKQTNV-UHFFFAOYSA-N	437.478	1.195	5	40	IDBB	
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1	218305767	IDGZSBYVSYUPAG-UHFFFAOYSA-N	436.465	1.849	5	40	IDBB	
O=C(O)C1CCN(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)cc2[N+](=O)[O-])CC1	8855468	AJUVQRROUJUTNM-UHFFFAOYSA-N	441.462	1.381	5	40	IDBB	
O=C1COc2ccc(C(=O)COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2N1	9507003	PXOVDZPMWJFIRW-UHFFFAOYSA-N	441.396	1.802	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN3C[C@@H]2Cn2nnc3ccccc32)cc1	13566565	ZSRJDIACGJLBGP-DLBZAZTESA-N	442.501	1.877	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O	223881880	WSEAVXCTQPCDDT-UHFFFAOYSA-N	425.438	1.867	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1	9283149	AKMCVKVJYWSMGF-UHFFFAOYSA-N	425.394	1.780	5	40	IDBB	
O=[N+]([O-])c1ccc(Nc2cnn(C[C@@H]3CCCO3)c2)c(S(=O)(=O)N2CCOCC2)c1	40139279	OGKDXXCHZSWOBP-INIZCTEOSA-N	437.478	1.735	5	40	IDBB	
Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c([N+](=O)[O-])n1	9612723	JKSOIPDDTGWWFZ-UHFFFAOYSA-N	436.446	1.337	5	40	IDBB	
O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1COc2ccccc2O1	23264396	GTBYOXOZUUAYMC-LBPRGKRZSA-N	430.369	1.479	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1	408654617	KNZBOKQKWJCNAY-CQSZACIVSA-N	426.385	1.270	5	40	IDBB	
Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)ccc1OCC(=O)O	57991118	BHPHKWABUXHBMY-UHFFFAOYSA-N	425.419	1.572	5	40	IDBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C)c2=N)cc1OC	101105397	MAPNMPGOEUCYMF-UHFFFAOYSA-N	447.495	1.964	5	40	IDBB	
Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	408673306	ZTXXVAWDICQEHQ-AWEZNQCLSA-N	440.412	1.578	5	40	IDBB	
Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	15928547	PYZDJMFVLOIBRB-BQYQJAHWSA-N	433.490	1.491	5	40	IDBB	
Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)n(C)c1=O	36689004	MZJZOTMSUAXTRS-UHFFFAOYSA-N	447.458	1.166	5	40	IDBB	
COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1	408637939	ODRBWQAQWMOKAE-CQSZACIVSA-N	441.396	1.523	5	40	IDBB	
COc1cc(OC)c(OC)cc1CNC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	9671315	RTIGJBXBDRYXSC-UHFFFAOYSA-N	443.412	1.923	5	40	IDBB	
Cc1c(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	78821850	ZNZIPQHXSKMZKL-CYBMUJFWSA-N	436.465	1.946	5	40	IDBB	
COc1ccccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	12919330	QIBLAAKAESSFEJ-UHFFFAOYSA-N	449.803	1.486	5	40	IDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1	13948402	LBDQVUOHRILJBM-UHFFFAOYSA-N	435.443	1.986	5	40	IDBB	
Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1[N+](=O)[O-]	24982157	VTRIVJCSOIGSCS-UHFFFAOYSA-N	425.488	1.916	5	40	IDBB	
CCc1nc(N2CCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)CC2)c2c(n1)c(C)nn2C	28559456	PKMZHDSCZZJYET-UHFFFAOYSA-N	427.469	1.147	5	40	IDBB	
CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222548769	ZFDNIPRHYXDYTB-HNNXBMFYSA-N	428.511	1.358	5	40	IDBB	
O=C(c1cncn1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	24579457	IWTGWVGKWJNNQD-UHFFFAOYSA-N	441.469	1.927	5	40	IDBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1cccc([N+](=O)[O-])c1	408644522	GZKSJJNJLICSBQ-UHFFFAOYSA-N	426.341	1.892	5	40	IDBB	
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1	40139195	RRKIDLHXHSRGIH-UHFFFAOYSA-N	431.840	1.839	5	40	IDBB	
COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	13856680	MFXVKKJWVCYDEY-HNNXBMFYSA-N	441.396	1.523	5	40	IDBB	
C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	25403617	GAYMMPJXKMEEBD-YWZLYKJASA-N	440.456	1.906	5	40	IDBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	225033738	XIGMZNTYTBOYTK-UHFFFAOYSA-N	425.375	1.880	5	40	IDBB	
COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CN2CCN(C(C)=O)CC2)cc1=O	16837651	RZJPQWSMJVRDDC-UHFFFAOYSA-N	443.460	1.068	5	40	IDBB	
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCCOC)c(=O)c3cc2c1=O	40399105	WYWKQQBESRFYLY-UHFFFAOYSA-N	437.456	1.945	5	40	IDBB	
O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	408713447	ZDYUTKIXFJRQTC-UHFFFAOYSA-N	432.458	1.634	5	40	IDBB	
CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1	409311968	IHGWKNMBOAGQSI-HWKANZROSA-N	446.416	1.603	5	40	IDBB	
Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-]	40072494	LEUYJSJVZFVGPF-HUUCEWRRSA-N	426.495	1.015	5	40	IDBB	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCCCC1	9631079	JIHLCYNTBHQLCV-UHFFFAOYSA-N	427.479	1.397	5	40	IDBB	
CSc1ncc2c(=N)n(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)cnc2n1	4448296	GTJKBCOMMNIIIL-UHFFFAOYSA-N	427.406	1.158	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1	9510882	KTEBKPVSNYQHFS-OAHLLOKOSA-N	447.469	1.667	5	40	IDBB	
Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(Sc3ccc(NS(C)(=O)=O)cc3)cc21	12427998	WCDNCJPMMWBZHT-UHFFFAOYSA-N	436.471	1.668	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SC)s1)S(C)(=O)=O	224622686	PQSHFVPPPPKEEV-UHFFFAOYSA-N	433.493	1.582	5	40	IDBB	
C[C@@H](OC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)C(=O)c1ccccc1	408639105	VETZQTUDPNYDJQ-UKRRQHHQSA-N	425.397	1.903	5	40	IDBB	
CCOc1ccc(NC(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c([N+](=O)[O-])c1	13076267	NDBLUZMIAJEXSZ-ZIAGYGMSSA-N	433.417	1.650	5	40	IDBB	
CC1CCN(c2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	22610126	VNSGTNQYYFKSSB-AWEZNQCLSA-N	426.433	1.979	5	40	IDBB	
O=C(Cn1cnc2c(cnn2-c2ccccc2[N+](=O)[O-])c1=O)NC(=O)NC1CCCC1	32831889	GMDSEQXNDWOCHV-UHFFFAOYSA-N	425.405	1.259	5	40	IDBB	
Nc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-]	69582672	XXRHIBOEKSTMLC-UHFFFAOYSA-N	436.446	1.215	5	40	IDBB	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	8439600	ZGXJQYYNKIWLEG-SJKOYZFVSA-N	427.417	1.901	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cn1nc(O)c2ccccc2c1=O	9032346	WWRYLOYUEXQQFF-LLVKDONJSA-N	442.384	1.589	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	15310218	BUTZFGCLZZZNDU-UHFFFAOYSA-N	437.478	1.376	5	40	IDBB	
Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCCCC1	8754984	DNWHMWOJTVFLKA-UHFFFAOYSA-N	428.492	1.820	5	40	IDBB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	8927568	PPADDWKSEWGDPZ-INIZCTEOSA-N	425.397	1.823	5	40	IDBB	
CNC(=O)c1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	14158216	DQTHIWWUNXPMAN-FQEVSTJZSA-N	425.401	1.360	5	40	IDBB	
COC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	10296157	NJEIRRROOLPHFP-UHFFFAOYSA-N	437.430	1.795	5	40	IDBB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1	408667058	IYEPUJVJKRFJHV-CQSZACIVSA-N	441.396	1.916	5	40	IDBB	
CNc1ccc(S(=O)(=O)NCC(=O)OCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-]	9509075	UQVMWYWHFGLKJO-UHFFFAOYSA-N	447.429	1.708	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1[N+](=O)[O-]	15391627	PPTKAFJSRRXSQJ-UHFFFAOYSA-N	448.505	1.041	5	40	IDBB	
O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)Cc2ccccc2)CC1	12786452	UIFOTVGPSRKRTL-UHFFFAOYSA-N	437.449	1.787	5	40	IDBB	
CCOC(=O)C1=C(N)N2C(=O)[C@H](C)SC2=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	3624409	GUKMLDDVRLIMLI-CABZTGNLSA-N	433.442	1.774	5	40	IDBB	
O=C(O)c1ccc(CNC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	20153309	XKDYXQFKQDZJRD-UHFFFAOYSA-N	444.469	1.934	5	40	IDBB	
CN1CCN(S(=O)(=O)c2ccc(NCc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1	33497147	NGZQXBATRYKTBQ-UHFFFAOYSA-N	434.474	1.872	5	40	IDBB	
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	9014330	ZZFVAGOYJLLTHG-LRDDRELGSA-N	444.444	1.336	5	40	IDBB	
C[C@H](OC(=O)CCNC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-]	9551321	VCNKWEUUIUKWHB-LBPRGKRZSA-N	446.441	1.594	5	40	IDBB	
COC(=O)[C@](C)(O)CNc1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-]	97146539	DQNWSSYOJATSHS-PWGQDJSOSA-N	429.495	1.788	5	40	IDBB	
Cc1nn(CC(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c(C)c1[N+](=O)[O-]	32935175	CAVYWBSDTLHLKE-UHFFFAOYSA-N	448.455	1.847	5	40	IDBB	
O=[N+]([O-])c1ccc(N2CCC[C@@H](c3ccncn3)C2)c(S(=O)(=O)N2CCOCC2)c1	69456292	UJLBVWCFZPCJHH-OAHLLOKOSA-N	433.490	1.790	5	40	IDBB	
COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1	408637936	ODRBWQAQWMOKAE-AWEZNQCLSA-N	441.396	1.523	5	40	IDBB	
O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2	13130579	BCRCPFKIHQDRIW-UHFFFAOYSA-N	429.385	1.303	5	40	IDBB	
CN(CCCC(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1	40162076	GRNMWHINESKPEU-GOSISDBHSA-N	439.465	1.984	5	40	IDBB	
Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	408673307	ZTXXVAWDICQEHQ-CQSZACIVSA-N	440.412	1.578	5	40	IDBB	
CC1CCC(NS(=O)(=O)c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)CC1	15209371	GYKPMGPHJRKFHO-UHFFFAOYSA-N	426.539	1.566	5	40	IDBB	
CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1ccnc1)c1cccc([N+](=O)[O-])c1	44947551	YGCNBRWKIBWGPM-UHFFFAOYSA-N	429.458	1.863	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	102129838	WMQLOMGTBCYHSS-OKILXGFUSA-N	445.428	1.735	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C(c3cccc(OC)c3OC)=NO[C@H]2C1=O	102557424	LULKPPQXBCOLNF-MAUKXSAKSA-N	427.369	1.913	5	40	IDBB	
O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1	9539761	RCNVZZREUHJFNL-HOCLYGCPSA-N	434.426	1.145	5	40	IDBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)N1CCN(C)CC1	143118720	WIUIAVZWJWZFIA-UHFFFAOYSA-N	447.521	1.002	5	40	IDBB	
O=C1C[C@H](C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)CN1Cc1ccco1	1547208574	RYCFQYZPRBQEMQ-ILXRZTDVSA-N	426.429	1.344	5	40	IDBB	biogenic
COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc(SC)c([N+](=O)[O-])c2)o1	9500813	PNIBVDAWUWUBGC-UHFFFAOYSA-N	444.443	1.718	5	40	IDBB	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1noc(-c2ccco2)n1	12883612	OODFRBXGJKAPMB-UHFFFAOYSA-N	436.402	1.838	5	40	IDBB	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	12974726	GMVPRIQTGRHDKZ-UHFFFAOYSA-N	447.469	1.903	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(F)cc1	13856679	KVTZOJSBMKWDEQ-CQSZACIVSA-N	429.360	1.653	5	40	IDBB	
O=C(CCN1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)Nc1ccccc1[N+](=O)[O-]	26228384	LPEGITVAQNDKGE-HXUWFJFHSA-N	440.456	1.908	5	40	IDBB	
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NC(=O)c1cccc([N+](=O)[O-])c1	3454284	HMCPKVSYOZQIEN-OAHLLOKOSA-N	429.410	1.898	5	40	IDBB	
Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1[N+](=O)[O-]	18104132	IVXZOQWTPZMAMY-UHFFFAOYSA-N	430.486	1.812	5	40	IDBB	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCOCCO)c3nc12	100628136	YNPDATLHALOKMJ-UHFFFAOYSA-N	447.495	1.376	5	40	IDBB	
COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1	408650887	AETHVQNJTQEPHK-CQSZACIVSA-N	441.396	1.916	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408670137	XEUMJMUPXZRORF-OGCKGYDTSA-N	445.428	1.506	5	40	IDBB	
NC(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	23078549	HIPJAWUCWZIWBE-UHFFFAOYSA-N	428.401	1.326	5	40	IDBB	
C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@@H](S(N)(=O)=O)C3)c([N+](=O)[O-])c2)C1	32911821	IPNOJERZUOTCDZ-UKRRQHHQSA-N	446.551	1.273	5	40	IDBB	
O=C(CN1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1)Nc1cccc([N+](=O)[O-])c1	9035931	UCDKZVCQHBFHSN-UHFFFAOYSA-N	442.432	1.698	5	40	IDBB	
COC(=O)c1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1	89404637	CCTSQXCPCUSYPT-UHFFFAOYSA-N	436.442	1.981	5	40	IDBB	
CC(=O)N[C@H](Cc1ccccc1F)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1	13150531	LIDPIDUGXAFOHO-GOSISDBHSA-N	429.452	1.961	5	40	IDBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nccs1	409125321	CWFONRSSAMPKKC-UHFFFAOYSA-N	433.475	1.841	5	40	IDBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1[N+](=O)[O-]	3533014	NSVSPRIFPZGULD-UHFFFAOYSA-N	427.435	1.314	5	40	IDBB	
COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c([N+](=O)[O-])c1	9509848	RXMWSMKOSXALON-UHFFFAOYSA-N	446.372	1.732	5	40	IDBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnnn3-c3ccccc3)cc21	408542294	IFRLJCCQJVXBME-UHFFFAOYSA-N	440.445	1.492	5	40	IDBB	
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	3478788	PGCMZOROLKXIDY-UHFFFAOYSA-N	425.394	1.503	5	40	IDBB	
COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1	13150526	NUYAWHIPYCLUBY-LJQANCHMSA-N	441.488	1.831	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3)C2)cc1[N+](=O)[O-]	408651761	DTQSEBULSIUMJS-OAHLLOKOSA-N	440.412	1.578	5	40	IDBB	
CC(C)[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1	408655548	HNXHDCXVJFLUSQ-XRJOUIEWSA-N	441.440	1.908	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)S(C)(=O)=O	13677736	QFIUGFBCACUXAW-UHFFFAOYSA-N	447.473	1.498	5	40	IDBB	
CCN(C(=O)c1cc(F)ccc1[N+](=O)[O-])c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	58065007	SZBGRXJYLMTQPG-UHFFFAOYSA-N	427.392	1.881	5	40	IDBB	
Nc1ccc(NC(=O)C[C@@H](NCCNc2ccccc2[N+](=O)[O-])C(=O)O)cc1[N+](=O)[O-]	65090389	KPGICXATFHSFFG-CQSZACIVSA-N	432.393	1.569	5	40	IDBB	
CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	224990578	RXIFETYLLVIFNQ-UHFFFAOYSA-N	434.474	1.836	5	40	IDBB	
Cc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c([N+](=O)[O-])c1	25403516	GGBDXMLKNODXFG-HXUWFJFHSA-N	440.456	1.826	5	40	IDBB	
Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3Cc3cccnc3)c(=O)n2c1	100627605	LXKBGMWBEKNWAM-QGZVFWFLSA-N	444.495	1.789	5	40	IDBB	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1ccc(F)c([N+](=O)[O-])c1	3359138	DPXAVPWJQPFAOL-UHFFFAOYSA-N	429.451	1.998	5	40	IDBB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O	9508306	DBWJAFAVVSMEMV-UHFFFAOYSA-N	439.428	1.520	5	40	IDBB	
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9661753	WUVFLNNIBDXCQF-UHFFFAOYSA-N	425.397	1.884	5	40	IDBB	
O=C1c2ccccc2C(=O)N1COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	12679322	MYWOSNLJTUDLIP-UHFFFAOYSA-N	447.425	1.248	5	40	IDBB	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1	103770710	YSGXPDIOKRPOGH-UHFFFAOYSA-N	437.390	1.922	5	40	IDBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CN3C(=O)COc4ccc(Cl)cc43)cc21	408599121	FCQFFRFCBCSSGY-UHFFFAOYSA-N	445.819	1.803	5	40	IDBB	
CCOc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	89991162	ZGGHPCKUNZRZRM-UHFFFAOYSA-N	449.485	1.905	5	40	IDBB	
CN(CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C1CCS(=O)(=O)CC1	72308852	KAFVQWAKNSYJAS-UHFFFAOYSA-N	444.941	1.406	5	40	IDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NCCNC(=O)c1nc(-c2ccccc2F)no1	21453982	LPIXENUYSFCDEA-UHFFFAOYSA-N	429.364	1.709	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1	30571134	ZLBBDBFMPIFRMP-UHFFFAOYSA-N	442.501	1.935	5	40	IDBB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)c1C	12853630	LSDUYUPGJJLIPK-INIZCTEOSA-N	438.550	1.919	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(N)=O)c1	9702387	UIVAPPMMTSSTQI-VIFPVBQESA-N	441.393	1.574	5	40	IDBB	
CSc1nnc(C)n1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	17101423	VQOCQEKKINJSEF-UHFFFAOYSA-N	437.507	1.312	5	40	IDBB	
O=C1CCCN1c1ccc(S(=O)(=O)NCCCn2cc(Cl)c([N+](=O)[O-])n2)cc1	36614625	VXFSPPQMFADIPZ-UHFFFAOYSA-N	427.870	1.940	5	40	IDBB	
CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc([N+](=O)[O-])c1O	214316548	ZLZHYEUQEWWGIQ-NTEUORMPSA-N	437.430	1.594	5	40	IDBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1	408687788	VCZLZELHGYWCPM-UHFFFAOYSA-N	426.341	1.892	5	40	IDBB	
COc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	89481834	YABSSJJUGRQXSM-UHFFFAOYSA-N	435.458	1.515	5	40	IDBB	
CCCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1	22808505	NXIWZPOGGVUZDV-UHFFFAOYSA-N	441.554	1.274	5	40	IDBB	
CC(=O)c1c(C)[nH]c(C(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1C	34859789	BTNUBACMANBCPB-UHFFFAOYSA-N	448.501	1.932	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@H]12	100171422	KYLKCLHWONXPPH-QOIOWGMHSA-N	430.369	1.169	5	40	IDBB	
CNc1ccc(/C=c2/s/c(=C\C(=O)Nc3ccccc3OC)[nH]c2=O)cc1[N+](=O)[O-]	105627184	RIPLHQKGRRJNFB-VAAIZWELSA-N	426.454	1.643	5	40	IDBB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-]	9339506	KCEGHHSFEGAKNM-QGZVFWFLSA-N	445.497	1.955	5	40	IDBB	
Cn1c(=O)c2c(nc3n(-c4ccccc4O)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O	6039990	UMEDANPSHICOBB-UHFFFAOYSA-N	432.396	1.956	5	40	IDBB	
COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1	13150550	OWWRCKWKVXUTIE-LJQANCHMSA-N	441.488	1.831	5	40	IDBB	
Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	408637013	FIXNHBJUNJSESQ-OAHLLOKOSA-N	425.397	1.823	5	40	IDBB	
CCOC(=O)C1=C(N)N2C(=O)[C@@H](C)SC2=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1	3624405	GUKMLDDVRLIMLI-SKDRFNHKSA-N	433.442	1.774	5	40	IDBB	
O=C(NC[C@@H]1CCCO1)C1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	32829849	JHHCXZPIZNWBGR-SFHVURJKSA-N	446.504	1.579	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)C2)cc1	4155614	OCBVYRGUHGSZKN-UHFFFAOYSA-N	425.488	1.864	5	40	IDBB	
COC(=O)c1ccc(CNC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1	12556457	GCAXKMNBLGKZPA-UHFFFAOYSA-N	440.456	1.980	5	40	IDBB	
NS(=O)(=O)[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1	32911817	APIFZFAKFCIONI-OAHLLOKOSA-N	446.551	1.417	5	40	IDBB	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1ncc(C(N)=O)c1N	9539933	YUJVESUJGCHKEO-UHFFFAOYSA-N	432.418	1.271	5	40	IDBB	
CCOC(=O)[C@H]1C(=O)N=C(N2CCN(C(=O)OCC)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1	20801141	FBEVVKIHOSNKJL-CVEARBPZSA-N	447.448	1.075	5	40	IDBB	
Cc1cc(C)c2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc([N+](=O)[O-])c1)CN=3)C(=O)N2	1839849	YLQFJZRQXMPKFU-VLGSPTGOSA-N	435.465	1.641	5	40	IDBB	
COC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12	16189699	AOVXSXHAMSZNHD-AUUYWEPGSA-N	428.788	1.765	5	40	IDBB	
COC(=O)[C@@H]1[C@@H](c2cc([N+](=O)[O-])ccc2O)c2sc(=O)[nH]c2S[C@H]1C(=O)OC	2713577	KEVXQYVXTVVSMH-CKYFFXLPSA-N	426.428	1.619	5	40	IDBB	
O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	12696359	JGSWJXRAPXDYCU-UHFFFAOYSA-N	442.457	1.322	5	40	IDBB	
COc1cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)ccc1OC(F)F	27054690	WSRHTCZBVGKLOU-UHFFFAOYSA-N	440.359	1.124	5	40	IDBB	
COc1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)c(OC)c1	9739219	DOEXFDBWUSSWSI-UHFFFAOYSA-N	436.384	1.800	5	40	IDBB	
CNC(=O)CSc1nnc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)s1	23141755	NTXNOJYWAAIFGW-UHFFFAOYSA-N	436.519	1.555	5	40	IDBB	
O=C(CN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1F	409208797	AEQVTXXFARVYCJ-ACAGNQJTSA-N	428.332	1.994	5	40	IDBB	
O=C(Cn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	14690675	QOSZDLCFWQNPMK-UHFFFAOYSA-N	446.441	1.036	5	40	IDBB	
C[C@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)C[C@H]3C(=O)Nc2ccccc2[N+](=O)[O-])C1	139083196	GDYGJZDLBYQZKW-NWDGAFQWSA-N	426.433	1.979	5	40	IDBB	
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2cnc(C(N)=O)c2N1	8439598	ZGXJQYYNKIWLEG-PXAZEXFGSA-N	427.417	1.901	5	40	IDBB	
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1	8825483	XLGLHKRHKIUXMW-GFCCVEGCSA-N	439.421	1.891	5	40	IDBB	
O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cn(-c2cccc([N+](=O)[O-])c2)nn1	107367061	BIEIUQDFFGXHKY-XLIONFOSSA-N	436.472	1.788	5	40	IDBB	
CCOC(=O)C(C(=O)OCC)[C@H](C1=C(C)[C@@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	2194086	OZDJQRGJRNVVND-LSDHHAIUSA-N	425.459	1.860	5	40	IDBB	
COC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	58055121	UFZSBBUGSCXZKG-UHFFFAOYSA-N	441.849	1.881	5	40	IDBB	
COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	113888459	ZCEWCBFBZSOMFG-UHFFFAOYSA-N	425.375	1.880	5	40	IDBB	
O=C(O)C1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)O)c([N+](=O)[O-])c2)CC1	8857437	TUGJYMVTVLKNPH-CQSZACIVSA-N	427.435	1.134	5	40	IDBB	
Cc1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	8927564	FLLAULZYFGXMHN-INIZCTEOSA-N	425.397	1.823	5	40	IDBB	
COc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-]	6172309	FFDQMESYYOUVDP-UHFFFAOYSA-N	434.474	1.937	5	40	IDBB	
O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO	8721155	QHQVSBRHNVGZAQ-LJQANCHMSA-N	429.429	1.756	5	40	IDBB	
Cc1c(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(F)cc2)cccc1[N+](=O)[O-]	13075119	PFOVGVQLAFOIEB-UHFFFAOYSA-N	425.394	1.503	5	40	IDBB	
O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO	8721154	QHQVSBRHNVGZAQ-IBGZPJMESA-N	429.429	1.756	5	40	IDBB	
O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)NCC(=O)Nc1ccc(F)c(F)c1F	24810530	PCQBZCXJYPSWRI-UHFFFAOYSA-N	438.318	1.492	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCN1CCCCCC1)S(C)(=O)=O	10111220	QNGJQYLJEPISDT-UHFFFAOYSA-N	442.538	1.752	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	409145756	PNKGIHMCMWDOOK-IONDEXAJSA-N	430.369	1.250	5	40	IDBB	
COC(=O)c1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	3565624	MGIVNDLGYKHGRU-UHFFFAOYSA-N	429.385	1.927	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12	100237405	YJYKEMPJNIRDIO-IAGYGMIVSA-N	444.396	1.477	5	40	IDBB	
CC(CN(c1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	408973439	MYZIPYWIUYRKGE-UHFFFAOYSA-N	439.637	1.332	5	40	IDBB	
O=C(NC(=S)NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccco1	9138452	OMRNRYPRWXEXDW-UHFFFAOYSA-N	439.475	1.604	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)c1c[nH]c(=O)n(-c2ccc(OC)c(OC)c2)c1=O	9404008	AVLGGHOXIAMGOA-UHFFFAOYSA-N	442.384	1.712	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21	19819953	KGTLDBKOHIZVKQ-LBPRGKRZSA-N	427.421	1.177	5	40	IDBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1	408656449	SJGPUXGMQIYJRU-UHFFFAOYSA-N	426.341	1.892	5	40	IDBB	
O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4763726	AINCKYNWQSAXRB-UHFFFAOYSA-N	443.485	1.789	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21	12536858	IWVHYQCYFJXLIL-FQEVSTJZSA-N	440.456	1.968	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1	408654616	KNZBOKQKWJCNAY-AWEZNQCLSA-N	426.385	1.270	5	40	IDBB	
CCOC(=O)C1CCN([C@H](CC(=O)OC)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	9562604	GBLRQUQACJASKT-QGZVFWFLSA-N	437.449	1.749	5	40	IDBB	
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C(=O)N1	18155630	RZMGSZHPVPNEJS-GOSISDBHSA-N	435.440	1.194	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	226649506	DBDFEEFLACXYLR-MFCZKXCZSA-N	430.369	1.169	5	40	IDBB	
CCOC(=O)C(C(=O)OCC)[C@@H](C1=C(C)[C@H]([N+](=O)[O-])CS1(=O)=O)c1ccccc1	2194090	OZDJQRGJRNVVND-CABCVRRESA-N	425.459	1.860	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1	95469778	OXUGNVHGNRJVDA-UHFFFAOYSA-N	432.502	1.899	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1	13647590	QBIUIHGSGKGENX-UHFFFAOYSA-N	439.515	1.907	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)NNc1ccc(S(=O)(=O)N2CCCC2)cn1	32093336	XAKMYIIOBQABLC-UHFFFAOYSA-N	427.464	1.080	5	40	IDBB	
CC(C)[C@@H](O)C1(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1	95463016	VGILDLOATPKQNO-GOSISDBHSA-N	426.539	1.740	5	40	IDBB	
Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1	408656777	JBTVDDMJRIHEQD-CQSZACIVSA-N	440.412	1.578	5	40	IDBB	
C[C@H](CN(C)C(=O)OC(C)(C)C)NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	1561781874	SXOJQWGWMNMVRT-LLVKDONJSA-N	431.467	1.900	5	40	IDBB	
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NS(C)(=O)=O)CC1	12554568	CFEMXLXTUCQFSM-UHFFFAOYSA-N	434.540	1.143	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cn2c(=O)oc3ccccc32)CC1	23424120	PGTCCJLGSADVKI-UHFFFAOYSA-N	432.458	1.775	5	40	IDBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c1	40114690	MWXWUESGWVSDQH-YOEHRIQHSA-N	426.495	1.157	5	40	IDBB	
Cc1nc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c2n1CCCC2	95443234	KQWAMIPPVFCTAO-UHFFFAOYSA-N	448.549	1.984	5	40	IDBB	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N1Cc1ccccc1	9123228	OMAILDRIPQYTJF-XMSQKQJNSA-N	436.424	1.621	5	40	IDBB	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018284	JNPDFZKLVBIOEH-CVEARBPZSA-N	432.389	1.176	5	40	IDBB	
O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nn(CCO)c(=O)c2ccccc12	16695378	GQPHFVNSEVHQGA-UHFFFAOYSA-N	427.369	1.521	5	40	IDBB	
CCc1cc(N2CCN(CCN3CCNC3=O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	58295050	FNGVLMBUZIFEII-UHFFFAOYSA-N	425.493	1.761	5	40	IDBB	
CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)c2c(n(C)c(=O)n(C)c2=O)N1	1467476	ZAXXTYDGQNYEPC-KRWDZBQOSA-N	448.439	1.857	5	40	IDBB	
CCOc1ccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2CC)cc1	3624462	KRTWKXRUUDCYPZ-UHFFFAOYSA-N	432.466	1.976	5	40	IDBB	
COc1ccc(CCNC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	9539887	MZZPISSIVNJDPF-NRFANRHFSA-N	426.429	1.729	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	9613148	XHQLNOLMZUACJY-UHFFFAOYSA-N	443.821	1.700	5	40	IDBB	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	13062552	OYOZRXIYOBNCAX-LBPRGKRZSA-N	439.421	1.891	5	40	IDBB	
CCOc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	28492721	MDBWORZLQALLPR-UHFFFAOYSA-N	438.440	1.938	5	40	IDBB	
Nc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1[N+](=O)[O-]	9445123	LNMDZNAMBLKJNB-UHFFFAOYSA-N	448.457	1.757	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	12527688	HUTUITSUDMLDQV-UHFFFAOYSA-N	449.460	1.390	5	40	IDBB	
Cc1ccc(NC(=O)C(=O)NCCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	19848237	BNUBCINIAHNHEI-UHFFFAOYSA-N	425.489	1.776	5	40	IDBB	
CC1CCN(c2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	22610284	FWKUFHBGIRCTDS-GFCCVEGCSA-N	426.433	1.979	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCSC2CCCC2)c([N+](=O)[O-])c1	26978560	DYYRYQWGIAVGBO-UHFFFAOYSA-N	437.565	1.799	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1	10680034	PUFXLXSAEYRAHJ-UHFFFAOYSA-N	431.517	1.788	5	40	IDBB	
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	16322490	ZXDPQJUGJXLTJX-NSHDSACASA-N	437.386	1.596	5	40	IDBB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018285	JNPDFZKLVBIOEH-HOTGVXAUSA-N	432.389	1.176	5	40	IDBB	
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)c(=O)[nH]c1=O	13134390	CYJXYNKMRCMOSO-UHFFFAOYSA-N	439.428	1.520	5	40	IDBB	
O=C(NCCN1CCOCC1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1	33430698	BJZAZIKQYNLGDZ-VKAVYKQESA-N	430.486	1.876	5	40	IDBB	
Cc1ccccc1C(=O)NN1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O	408655182	LHMWEMAUBNUFJM-CQSZACIVSA-N	440.412	1.578	5	40	IDBB	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)c3ccccc3C1=N2	8456487	STBQPUKVEJMZMN-CVEARBPZSA-N	432.392	1.777	5	40	IDBB	
C[C@H]1CN(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1	12644960	SRQYPSCLJFFAQZ-OKILXGFUSA-N	427.479	1.394	5	40	IDBB	
Cc1ccc(N(C[C@@H](O)CN2CCOCC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	19882241	NNHWUWYZKWTKNP-IBGZPJMESA-N	435.502	1.792	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1	224051226	PMBBBSRNGQICAJ-UHFFFAOYSA-N	439.446	1.880	5	40	IDBB	
CN(C)S(=O)(=O)c1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c(Cl)cc1Cl	2793424	OFAJOUVHQZFZLF-UHFFFAOYSA-N	436.277	1.778	5	40	IDBB	
C[N+]1(CCOC(=O)CCCCCCCC(=O)OCC[N+]2(C)CCOCC2)CCOCC1	100669170	WSVBIBGPZCAJCJ-UHFFFAOYSA-N	444.613	1.757	5	40	IDBB	
O=C(COC(=O)CN1C(=O)c2ccccc2C1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	3222537	LFYSPRDGXHRUPF-UHFFFAOYSA-N	440.393	1.982	5	40	IDBB	
O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	20153137	HWUPVGDJILASDC-UHFFFAOYSA-N	444.469	1.934	5	40	IDBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NCCNC(=O)c1nc(-c2ccc(F)cc2)no1	21453344	LFHMXHIAMWRVLO-UHFFFAOYSA-N	429.364	1.709	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O	102768417	XOALVRVLMAOXGX-FPMFFAJLSA-N	431.401	1.425	5	40	IDBB	
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](C)C(=O)O)c([N+](=O)[O-])cc1OC	8426489	AONSYSVFWMATOI-DGGAMASNSA-N	443.412	1.972	5	40	IDBB	
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	13032154	ZMPVHEPJTOHGLW-QRWLVFNGSA-N	440.456	1.906	5	40	IDBB	
COC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3Cl)C(=O)[C@H]12	16189693	AOVXSXHAMSZNHD-LIRRHRJNSA-N	428.788	1.765	5	40	IDBB	
COc1ccc(S(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)c([N+](=O)[O-])c1	72310866	WNSHTZANKVXBQS-ZDUSSCGKSA-N	429.476	1.110	5	40	IDBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c([N+](=O)[O-])cc1OC	409130766	WHLKJLRDWIRLBU-OVCLIPMQSA-N	437.430	1.507	5	40	IDBB	
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	9014329	ZZFVAGOYJLLTHG-WBMJQRKESA-N	444.444	1.336	5	40	IDBB	
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1OC	2353282	AFDISTSKLNUOPI-UHFFFAOYSA-N	435.458	1.759	5	40	IDBB	
CC(C)CCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	13101175	PQZOWBWHTCJEBE-UHFFFAOYSA-N	428.829	1.393	5	40	IDBB	
C[C@H]1CN(C[C@@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1	13147677	HDOREZNNQQLLOA-OWCLPIDISA-N	443.522	1.228	5	40	IDBB	
CN1CCN([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1	9742256	CIGZCOMIMIACEY-LJQANCHMSA-N	429.452	1.777	5	40	IDBB	
Cc1cccc(OCCNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1	9868868	ONORPMSYRSVIOX-UHFFFAOYSA-N	448.501	1.998	5	40	IDBB	
CCOC(=O)N1CCN(C(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222686378	KBGAEUQFVPAVIA-UHFFFAOYSA-N	442.494	1.442	5	40	IDBB	
Cc1cccc(C(=O)NN2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)c1	8927595	ITSIGLKZOHZQGI-MRXNPFEDSA-N	425.397	1.823	5	40	IDBB	
O=C(CCCNC(=O)c1ccccc1)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	57995349	YGJXGMZVYUJSOP-UHFFFAOYSA-N	434.474	1.200	5	40	IDBB	
Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	19629554	UQXGYXARQFBBGA-UHFFFAOYSA-N	439.472	1.416	5	40	IDBB	
CC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)s1	15936324	BYQRQRXFMGKKCC-UHFFFAOYSA-N	446.898	1.569	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)C1CC1	103629092	COCXJSFVSPLMQU-WZGVVIIOSA-N	436.468	1.842	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@H]12	9356238	KYLKCLHWONXPPH-DICRZQGBSA-N	430.369	1.169	5	40	IDBB	
Nc1ccc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-]	9662931	LTPVNJFIJXMUMD-UHFFFAOYSA-N	448.457	1.757	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	2652985	SWVBPVSTWXAONC-UHFFFAOYSA-N	443.821	1.700	5	40	IDBB	
COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	6163409	OTCOMWZYKSTOKZ-NSHDSACASA-N	427.369	1.770	5	40	IDBB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	9511178	ISNMAXMDEOAANK-UHFFFAOYSA-N	448.457	1.638	5	40	IDBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C)c2=N)cc1OC	101094412	CAMYIVHIBIGPDS-UHFFFAOYSA-N	433.468	1.655	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	409337123	XFEUZPMHNGKFNE-HDIOYNLWSA-N	444.396	1.559	5	40	IDBB	
O=C1/C(=C/N[C@@H]2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-]	19881286	KKEMUZPWDLVBMU-KWWJGWKXSA-N	427.438	1.899	5	40	IDBB	
COc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	9741411	UHDXSPVVVXDELW-FQEVSTJZSA-N	441.488	1.647	5	40	IDBB	
O=c1c2ccc3c(=O)n(Cc4ccncc4)c(=O)c4ccc(c(=O)n1Cc1ccncc1)c2c34	169560154	LLXHOOGYLLUOOG-UHFFFAOYSA-N	448.438	1.952	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408659688	MPPWOVQWXQMIFQ-HHDFAXHISA-N	429.429	1.805	5	40	IDBB	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c1	13097088	KVXIGSPZGMKYBI-UHFFFAOYSA-N	440.368	1.517	5	40	IDBB	
CS(=O)(=O)c1cc(C(=O)NC2CCN(CC3(O)CCCCC3)CC2)cc([N+](=O)[O-])c1	89490012	DQCUGPYPMPHPCX-UHFFFAOYSA-N	439.534	1.888	5	40	IDBB	
O=C(c1ccc2c(c1)OCCCO2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	12861624	DVDKSZJKCLEIKJ-UHFFFAOYSA-N	447.469	1.903	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1C)S(C)(=O)=O	223881975	CLOZYAMOOZYWEZ-UHFFFAOYSA-N	437.474	1.873	5	40	IDBB	
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-])C2=O	9545284	MQSFIUMTRJVPDK-WLRWDXFRSA-N	436.396	1.716	5	40	IDBB	
O=C1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1c1ccc2c(c1)OCO2	15022177	YSNXEFYCNYWGIU-INIZCTEOSA-N	439.428	1.609	5	40	IDBB	
CCOC(=O)c1sc(NC(=O)COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1C	48235775	LLOMQQIIULJKNV-UHFFFAOYSA-N	443.459	1.806	5	40	IDBB	
CCn1nc(C)c([N+](=O)[O-])c1C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1	95462900	LJOQNEXKDZXORG-UHFFFAOYSA-N	431.449	1.735	5	40	IDBB	
CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	8687806	MJMUPNBGPZZRIC-UHFFFAOYSA-N	434.474	1.934	5	40	IDBB	
Cc1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)o1	9634147	BDVZFVRTPHBFLI-UHFFFAOYSA-N	429.842	1.979	5	40	IDBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCOCC3)nc(N)c21	19974088	ZXONRDFVCKGOPU-LBPRGKRZSA-N	427.421	1.177	5	40	IDBB	
COc1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1S(N)(=O)=O	9441052	KZSOFPKDJFNPTD-UHFFFAOYSA-N	440.459	1.081	5	40	IDBB	
CNc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	9508856	XCCWATMJAPABDG-UHFFFAOYSA-N	436.446	1.302	5	40	IDBB	
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	9797478	LPWZIVFVVMLKAC-ZHACJKMWSA-N	433.442	1.975	5	40	IDBB	
C[C@@H]1CN(C[C@H](O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])C[C@@H](C)O1	25561384	HDOREZNNQQLLOA-OAGGEKHMSA-N	443.522	1.228	5	40	IDBB	
COc1ccc(CCNC(=O)CS(=O)(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC	8782657	QXAJMTZFWVEJTD-UHFFFAOYSA-N	440.478	1.157	5	40	IDBB	
C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC1	24755324	BFCSPFZGAUDIOT-LBPRGKRZSA-N	447.897	1.861	5	40	IDBB	
O=C(CCc1nc(O)c2ccccc2n1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	1547205973	IDBUHOGJNNFSKQ-KGLIPLIRSA-N	435.440	1.984	5	40	IDBB	biogenic
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2nnnn2-c2ccccc2)CC1	9126079	OOJQPRICZHXOLM-UHFFFAOYSA-N	429.462	1.390	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(F)cc1	408636831	CZPDGACVJNJCSD-CYBMUJFWSA-N	429.360	1.653	5	40	IDBB	
COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)c1	13150552	OWWRCKWKVXUTIE-IBGZPJMESA-N	441.488	1.831	5	40	IDBB	
COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)c([N+](=O)[O-])c1	9613153	AZIZLCJNZAICIT-UHFFFAOYSA-N	443.821	1.700	5	40	IDBB	
O=C(NCCN1CCOCC1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	12520968	DBWSVSOHLMZHFR-UHFFFAOYSA-N	434.474	1.458	5	40	IDBB	
CCOc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	89272129	WWZBKUOATCWWMX-UHFFFAOYSA-N	449.485	1.905	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]12	100522378	KLKDXVPTYGDOCQ-QOIOWGMHSA-N	430.369	1.169	5	40	IDBB	
O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1	10256366	GLKMXYFHQVHBDT-UHFFFAOYSA-N	438.379	1.813	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(N)=O)[C@@H]2C1=O	15988956	BFKGBFCJAUDESU-MANSERQUSA-N	434.408	1.604	5	40	IDBB	
COCCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3cc(C)ccc3nc21	100628015	JVECUJBJTBCUQI-HNNXBMFYSA-N	425.489	1.382	5	40	IDBB	aggregator
CCn1ncc(NC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c1C(=O)Nc1cnn(C)c1C	2732398	TUMCNRFQKPMARR-UHFFFAOYSA-N	449.859	1.984	5	40	IDBB	
C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	30544705	XOVQNDIRUYBUAI-KRWDZBQOSA-N	441.488	1.683	5	40	IDBB	
O=[N+]([O-])c1cnn(CN2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)c1	24760764	JFGQTYXSESYHCO-UHFFFAOYSA-N	435.384	1.654	5	40	IDBB	
O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1c(F)cccc1F	34863284	HBDYUAUQMQSXGR-UHFFFAOYSA-N	440.428	1.818	5	40	IDBB	
CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]12	100942591	CSWNUPOLUWUUAZ-SJLPKXTDSA-N	438.396	1.901	5	40	IDBB	
O=[N+]([O-])c1ccc2c(c1)nc(S[C@@H]1CCS(=O)(=O)C1)n2[C@@H]1CCS(=O)(=O)C1	16431433	OQLUXNIVAGDCHF-VXGBXAGGSA-N	431.517	1.583	5	40	IDBB	
COc1ccc(OC[C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	218306256	FGYYKBFCZLKLEL-AWEZNQCLSA-N	437.474	1.953	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	224221710	FEUVDBHVFNMTBU-UHFFFAOYSA-N	429.476	1.202	5	40	IDBB	
O=C(C1CCC(Cn2cnnn2)CC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	1547138147	STAOBGWGQVLFRX-KNIAUWFNSA-N	427.465	1.195	5	40	IDBB	biogenic
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)c2ccccc2C1=O	9128400	ISVXKFKHAMBBSI-UHFFFAOYSA-N	427.369	1.771	5	40	IDBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1	12521694	XJPRJXNEDAJIFM-CHWSQXEVSA-N	434.540	1.223	5	40	IDBB	
COc1cc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OC	30643791	AJFJJLFGYSZWDQ-UHFFFAOYSA-N	430.465	1.344	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(F)cc1	408636832	CZPDGACVJNJCSD-ZDUSSCGKSA-N	429.360	1.653	5	40	IDBB	
NS(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1	10187811	PJTSRADLVFEBTM-UHFFFAOYSA-N	428.426	1.705	5	40	IDBB	
CC(C)CN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	12986163	QEYMNJYQQSMJDD-UHFFFAOYSA-N	433.465	1.751	5	40	IDBB	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)N(C)C)cc2)cc1[N+](=O)[O-]	32937120	MKGIVMHYNSRABF-UHFFFAOYSA-N	434.474	1.912	5	40	IDBB	
COc1ccc(C2=NO[C@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@@H]23)c(OC)c1	104046607	ONUKRBYQSGVVLA-FUHWJXTLSA-N	427.369	1.913	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-]	408660259	NGKHNOLFQHAVAK-DHMYTKHGSA-N	427.413	1.581	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1	408671397	XZQCCMCIPBOOKP-YMKFXDTLSA-N	443.412	1.281	5	40	IDBB	
COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1	2735094	SDWDKOMMVVLUEC-UHFFFAOYSA-N	435.458	1.759	5	40	IDBB	
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	20460756	FKRZBKHQOJDVRN-UHFFFAOYSA-N	425.488	1.738	5	40	IDBB	
O=C(CN1CCOCC1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1	32829245	MEGQCNOFZSGAQM-UHFFFAOYSA-N	447.370	1.503	5	40	IDBB	
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)c1O	214258760	BECGKQCKYCSFNN-RIYZIHGNSA-N	437.430	1.594	5	40	IDBB	
C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	8722591	SYNJHCFYCKHSHO-JTQLQIEISA-N	427.325	1.914	5	40	IDBB	
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccccc4F)C[C@H]32)C(=O)N1	9267132	XTIHMOYCXGKWGX-KRWDZBQOSA-N	439.403	1.338	5	40	IDBB	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	12980435	ULICTFAAHHLEGV-UHFFFAOYSA-N	447.469	1.903	5	40	IDBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc([N+](=O)[O-])c1O	409211538	JUVMTJSZQYLTJB-ODYDIQAQSA-N	437.430	1.641	5	40	IDBB	
O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	19635693	UUGWQIFCGSSEBH-UHFFFAOYSA-N	442.457	1.728	5	40	IDBB	
O=c1c2ccccc2ncn1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	25266145	STBPOJWERONROE-UHFFFAOYSA-N	429.458	1.269	5	40	IDBB	
COc1cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-]	219825279	JFNXFFCNFRPRSR-UHFFFAOYSA-N	449.485	1.824	5	40	IDBB	
CC[C@@H](C(=O)N1CCC(C(=O)OC)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222528069	WBJHKKIZEKKMMO-INIZCTEOSA-N	427.479	1.551	5	40	IDBB	
CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(F)c(F)c2)cc1[N+](=O)[O-]	8826445	YLAIJIPSCLFXEI-UHFFFAOYSA-N	443.384	1.619	5	40	IDBB	
CCOc1ccc(C(=O)NCCNC(=O)c2nc(Cn3nc([N+](=O)[O-])cc3C)no2)cc1	12411715	VCFUJPKBFMXZOW-UHFFFAOYSA-N	443.420	1.090	5	40	IDBB	
Cc1c(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	78821840	ZNZIPQHXSKMZKL-ZDUSSCGKSA-N	436.465	1.946	5	40	IDBB	
CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N1CCOCC1	9295546	VLBUTXDEDNDDGR-GQCTYLIASA-N	446.416	1.190	5	40	IDBB	
COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c([N+](=O)[O-])c1	9715932	JIALKTFMPCVBKS-UHFFFAOYSA-N	437.430	1.649	5	40	IDBB	
COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4c(c3)OCO4)C2=O)c([N+](=O)[O-])c1	12569599	FSPYPLYVADORTP-FQEVSTJZSA-N	442.384	1.738	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2	89457353	YCTXUUBIWAKUJB-UHFFFAOYSA-N	441.805	1.706	5	40	IDBB	
COc1ccc(C2=NO[C@@H]3C(=O)N(c4cc([N+](=O)[O-])ccc4OC)C(=O)[C@H]23)cc1OC	100831977	UWFOXJYVQARMGP-AEFFLSMTSA-N	427.369	1.913	5	40	IDBB	
COc1cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)cc(OC)c1OC	20889979	CMQMEVVDKHCNAU-UHFFFAOYSA-N	449.416	1.820	5	40	IDBB	
COc1cccc2c(=O)c3c(O)cc(OCC(=O)N[C@H]4CCS(=O)(=O)C4)cc3oc12	9047667	SUGUHSDLYHDSFE-NSHDSACASA-N	433.438	1.343	5	40	IDBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NC(=O)NCc1ccccc1	9630726	NVFBGUSZPHXDQI-UHFFFAOYSA-N	442.428	1.614	5	40	IDBB	
CC(=O)Nc1nnc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)s1	15935247	AMBODVZSONSFCZ-UHFFFAOYSA-N	446.898	1.569	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)N(C)C	20245275	SKPDOWCMMGTTLF-UHFFFAOYSA-N	426.426	1.994	5	40	IDBB	
NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	9985365	GEFCRGNIWJBEMS-UHFFFAOYSA-N	432.458	1.733	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3cccc(OC)c3OC)=NO[C@H]2C1=O	104136550	VIMZKSWSPLNAGX-MAUKXSAKSA-N	427.369	1.913	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cn1nc(O)c2ccccc2c1=O	9032345	WWRYLOYUEXQQFF-NSHDSACASA-N	442.384	1.589	5	40	IDBB	
COC(=O)c1cc(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc([N+](=O)[O-])c1	9634527	KQYWUCSYAUJWDW-UHFFFAOYSA-N	446.412	1.914	5	40	IDBB	
O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	20460708	RJGYZSMVHRUHKR-UHFFFAOYSA-N	441.487	1.558	5	40	IDBB	
COc1ccc(CCNC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	9539888	MZZPISSIVNJDPF-OAQYLSRUSA-N	426.429	1.729	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)[C@H]2C(C)C)cc1[N+](=O)[O-]	95471429	DOTVYQZLQRHKAV-QGZVFWFLSA-N	426.495	1.644	5	40	IDBB	
COc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	12928291	NZHPLANWUXPOID-UHFFFAOYSA-N	426.385	1.297	5	40	IDBB	
C[C@@H]1C[C@@H](C)CN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	32935530	KFHHNQSXGYARCI-IAGOWNOFSA-N	439.582	1.921	5	40	IDBB	
CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc([N+](=O)[O-])c1	218305702	KFTTTWBSLOGFQS-UHFFFAOYSA-N	436.465	1.849	5	40	IDBB	
O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc([N+](=O)[O-])cc1Br	16044371	QMCRQUYVRPWIHE-UHFFFAOYSA-N	426.179	1.862	5	40	IDBB	
O=c1[nH]/c(=C/C=C/c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C/C=C/c1ccccc1[N+](=O)[O-]	16448950	WJDCHXRYSOXMMA-RNMAHOQESA-N	432.392	1.867	5	40	IDBB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O	78869549	DKOSEKYSLFLSHT-UHFFFAOYSA-N	427.460	1.850	5	40	IDBB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1cccc([N+](=O)[O-])c1	9630618	KJCNSYQNZMQXKB-CYBMUJFWSA-N	441.396	1.901	5	40	IDBB	
CCOC(=O)c1cc(C(=O)NC[C@@H](C)C(=O)NCCCc2c[nH]nc2C)cc([N+](=O)[O-])c1	95397404	MXBMHXCUNGBZMF-CYBMUJFWSA-N	445.476	1.918	5	40	IDBB	
C[C@H](CCc1ccccc1)NC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	3468217	VYLVWXHMPMVBJL-CQSZACIVSA-N	439.424	1.872	5	40	IDBB	
CCN(CC)C(=O)CS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	1475720	CNGYKWWFYYLRKQ-UHFFFAOYSA-N	432.398	1.530	5	40	IDBB	
COC(=O)c1ccc(OC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	2187918	HXYFXFJUXUAEAR-UHFFFAOYSA-N	442.336	1.126	5	40	IDBB	
CNC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](c4cccc(=O)n4C3)[C@@H]21	524731807	KXFRSNOEOACJPR-XMCRNQISSA-N	438.440	1.122	5	40	IDBB	biogenic
CC(C)[C@H](CNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CCOCC1	40040795	QOMIVTNJEFNPNB-HNNXBMFYSA-N	429.495	1.391	5	40	IDBB	
CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2[C@@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])O1	4823340	HXULFQLONCJNEW-OEAJRASXSA-N	427.410	1.947	5	40	IDBB	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)c3ccccc3C1=N2	8456489	STBQPUKVEJMZMN-HOTGVXAUSA-N	432.392	1.777	5	40	IDBB	
CCOCCCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21	16742645	DFWNHHPPOJQBNF-UHFFFAOYSA-N	427.505	1.630	5	40	IDBB	
O=c1ccc(O)nn1CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1	20518374	VEOIETLVNAWABI-UHFFFAOYSA-N	426.433	1.842	5	40	IDBB	
COc1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	9741446	DVTILAUEQGPHQL-FQEVSTJZSA-N	441.488	1.647	5	40	IDBB	
COc1ccc(C(=O)Nc2ccccc2N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-]	9426102	OQMIDFMOSZYGDZ-UHFFFAOYSA-N	434.474	1.937	5	40	IDBB	
CC(C)NS(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	22229421	PQXGDMWNZAYHGV-UHFFFAOYSA-N	434.474	1.579	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	9933304	IWXXPEWAXZHNDV-AWEZNQCLSA-N	441.487	1.853	5	40	IDBB	
Cc1ccc(Nc2nc(N)nc(CN[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1	23409283	TWLLHJSIKBKEEP-FUHWJXTLSA-N	425.449	1.598	5	40	IDBB	
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	4850982	HNGVVNJNFPAPGC-HXUWFJFHSA-N	425.489	1.947	5	40	IDBB	
C[C@H]1C[C@@H](C)CN(CCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	32935532	KFHHNQSXGYARCI-CALCHBBNSA-N	439.582	1.921	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc(OC)c3OC)[C@@H]2C1=O	104136554	VIMZKSWSPLNAGX-YJBOKZPZSA-N	427.369	1.913	5	40	IDBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@@H]1COc2ccccc2O1)S(C)(=O)=O	225254016	XCANGRSSOPBNMY-OAHLLOKOSA-N	435.458	1.625	5	40	IDBB	
COC(=O)C1CCN(C(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)CC1	222377662	KLKDVCWYLUTFSS-UHFFFAOYSA-N	441.506	1.861	5	40	IDBB	
COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)c2ccccc2[N+](=O)[O-])CC1	9570152	WJPVJAYFFKKSNH-UHFFFAOYSA-N	448.501	1.485	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc2c(c1)OCO2	11690903	AXHJOYSESHCETI-QQTULTPQSA-N	446.419	1.833	5	40	IDBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O	409239062	GBPIHVMEZPQTKP-NTUHNPAUSA-N	442.384	1.849	5	40	IDBB	
CNC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](c4cccc(=O)n4C3)[C@H]21	888089533	KXFRSNOEOACJPR-ULHKQECKSA-N	438.440	1.122	5	40	IDBB	
COc1ccc(NC(=O)CNc2ccc(N3CCOCC3)cc2C(N)=O)c([N+](=O)[O-])c1	89434958	UNZNCTLFRSNUOK-UHFFFAOYSA-N	429.433	1.590	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@H]12	100171426	KYLKCLHWONXPPH-ULMVMLMRSA-N	430.369	1.169	5	40	IDBB	
O=C([C@H](Cc1ccccc1)n1cnnn1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	524732136	YXGALSFOSBBUNM-GJYPPUQNSA-N	435.444	1.173	5	40	IDBB	biogenic
CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc([N+](=O)[O-])cc1)c(=O)n2Cc1ccccc1	16045633	CGCASDMFPLWITO-UHFFFAOYSA-N	448.439	1.975	5	40	IDBB	
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1	23107517	QNYPBNKFMXRDHK-LJQANCHMSA-N	428.445	1.732	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	408662814	NRIKKLHIYRDTDD-OYUDYFSCSA-N	429.429	1.806	5	40	IDBB	
COc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])cc1OC	9634879	QIFCUKGNSCVFRR-UHFFFAOYSA-N	447.400	1.346	5	40	IDBB	
O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)NCC(=O)Nc1ccc(F)c(F)c1F	15322708	MXXOLRUWRSLHEG-UHFFFAOYSA-N	441.366	1.583	5	40	IDBB	
CCOC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	17297054	YXIHHDMXYIXUGT-UHFFFAOYSA-N	431.430	1.258	5	40	IDBB	
COc1ccc2[nH]cc(CCNC(=O)CS(=O)(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c2c1	22528044	BFWNYBIAJKLMMW-UHFFFAOYSA-N	449.489	1.629	5	40	IDBB	
COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1	9353537	IOTRWLZWWJWMIF-UHFFFAOYSA-N	429.389	1.618	5	40	IDBB	
Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-]	224429111	BCCHGBACYDBUCB-UHFFFAOYSA-N	449.485	1.733	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1	22851192	VCNOWRUXMCQGQM-KRWDZBQOSA-N	435.458	1.675	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O	102768419	XOALVRVLMAOXGX-BNOWGMLFSA-N	431.401	1.425	5	40	IDBB	
C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1	14066876	YWNODQDHMNCXND-GASCZTMLSA-N	441.506	1.499	5	40	IDBB	
CN1CCN(n2c3c(c(SCC(=O)Nc4ccccc4[N+](=O)[O-])nc2=O)CCC3)CC1	10255140	ZIFKTJCGKUNGIK-UHFFFAOYSA-N	444.517	1.254	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NNc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1	32093350	ZRTPTLADDUOVOQ-UHFFFAOYSA-N	427.464	1.080	5	40	IDBB	
COc1ccc(C(=O)N2CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)CC2)cc1	32099702	LDLTZCNBHADFIS-UHFFFAOYSA-N	425.445	1.756	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccnc1	9252950	YSIKFCBKQMSLCN-QOMWVZHYSA-N	447.451	1.608	5	40	IDBB	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1	13004402	PFBIWFNSRZXSLP-UHFFFAOYSA-N	425.488	1.726	5	40	IDBB	
CCOCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N	100631392	ZELUBKXMAKHOGR-UHFFFAOYSA-N	432.484	1.728	5	40	IDBB	
CS(=O)(=O)c1ccc(NCCNC(=O)CCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	24705772	IZLPLHJWUCHKCS-UHFFFAOYSA-N	435.458	1.888	5	40	IDBB	
O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1O	20153315	OBFJPBHBCIXRPL-UHFFFAOYSA-N	446.441	1.962	5	40	IDBB	
O=[N+]([O-])c1cc2c(c(CN3CCN(S(=O)(=O)N4CCCCCC4)CC3)c1)OCOC2	25309859	ROEJLMQIVXSLPK-UHFFFAOYSA-N	440.522	1.700	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=CC=NN1[C@@H]2C(=O)C(C)(C)C	103988565	NBMDFEYMLHFTAW-VZEFYGNVSA-N	426.429	1.933	5	40	IDBB	
Cc1ccc(S(=O)(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)cc1[N+](=O)[O-]	224220830	XLEYZRXGYQFRGG-UHFFFAOYSA-N	443.503	1.511	5	40	IDBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCN1CCOCC1	408605494	JDDDABFLKTVZMB-UHFFFAOYSA-N	448.501	1.239	5	40	IDBB	
C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCCC1	24755319	BFCSPFZGAUDIOT-GFCCVEGCSA-N	447.897	1.861	5	40	IDBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408671391	XZQCCMCIPBOOKP-JNTCMIMUSA-N	443.412	1.281	5	40	IDBB	
COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	9506828	AITLTBRLUNBZIJ-UHFFFAOYSA-N	449.485	1.688	5	40	IDBB	
COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CSc2nnnn2C)cc1=O	10254856	WDZSBISDTOCMHR-UHFFFAOYSA-N	431.434	1.220	5	40	IDBB	
COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	9097230	IUGKKQLZPXILSJ-UHFFFAOYSA-N	427.822	1.952	5	40	IDBB	
COc1ccc(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1OC	9932887	CWSOCNVSYYXNBI-UHFFFAOYSA-N	437.474	1.786	5	40	IDBB	
O=C(NN1CCN(Cc2ccccc2)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	25326790	YEWRLZVIBBLJEO-UHFFFAOYSA-N	425.489	1.894	5	40	IDBB	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1OC	2786738	RGWLWKQRNLSICP-UHFFFAOYSA-N	435.458	1.759	5	40	IDBB	
CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225197290	LJGYKHGCWUKERS-OAHLLOKOSA-N	448.501	1.524	5	40	IDBB	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	32999804	JBTBKKONIYUWRM-PBHICJAKSA-N	427.413	1.569	5	40	IDBB	
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N2CCN(C)CC2)cc1	4850993	RKJWBPWFUBVTNM-HXUWFJFHSA-N	425.489	1.947	5	40	IDBB	
O=C(COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1COc2ccccc2O1	23264393	GTBYOXOZUUAYMC-GFCCVEGCSA-N	430.369	1.479	5	40	IDBB	
O=C1CN(C(=O)COC(=O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c2ccccc2N1	2630078	GWOXZNCIGKBHAI-UHFFFAOYSA-N	446.803	1.507	5	40	IDBB	
C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1	11468483	NCMYTCRPPLDHCQ-ZDUSSCGKSA-N	435.458	1.958	5	40	IDBB	
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1	15700843	NHEVWNFCIVNUEU-KRWDZBQOSA-N	444.517	1.585	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	223252019	VIBMRTKNGBFIFU-UHFFFAOYSA-N	439.515	1.900	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C)cc3[N+](=O)[O-])C(=O)[C@@H]12	226650453	KYLKCLHWONXPPH-UIVXKWKOSA-N	430.369	1.169	5	40	IDBB	
CNC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](c4cccc(=O)n4C3)[C@@H]21	524731806	KXFRSNOEOACJPR-OUXBTTMJSA-N	438.440	1.122	5	40	IDBB	biogenic
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)cc1	10078705	VTWFOMDANNGQOJ-UHFFFAOYSA-N	425.488	1.946	5	40	IDBB	
C[C@@H]1CN(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1	12730620	QEWSODQSJKALLH-GHMZBOCLSA-N	426.417	1.969	5	40	IDBB	
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	13032163	ZMPVHEPJTOHGLW-MGPUTAFESA-N	440.456	1.906	5	40	IDBB	
O=C(COC(=O)CNS(=O)(=O)/C=C/c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1	9884933	PVOCGHZIXCEUQE-CMDGGOBGSA-N	437.405	1.806	5	40	IDBB	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(Cn3ccc([N+](=O)[O-])n3)n2)cc1	12374751	ZVUOAOFTHIWSEI-UHFFFAOYSA-N	439.348	1.633	5	40	IDBB	
O=C(NCCS(=O)(=O)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1	9569887	HBHHHOUBVFAEPG-UHFFFAOYSA-N	436.465	1.616	5	40	IDBB	
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1	9905404	UWYHJHCGVKREPV-UHFFFAOYSA-N	440.503	1.649	5	40	IDBB	
Cc1cc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-]	32717403	CIQFMTKIFYIWOH-UHFFFAOYSA-N	433.490	1.180	5	40	IDBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc1	408654167	JYCFHKRMXBBSHY-CQSZACIVSA-N	440.412	1.578	5	40	IDBB	
Cc1nn(CC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-]	9284701	JXTOVHDFCYYFAG-UHFFFAOYSA-N	433.377	1.071	5	40	IDBB	
Cc1nn2cccnc2c1C(=O)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1	89534547	ZNOZPKOXQNFKNF-UHFFFAOYSA-N	440.235	1.827	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	409337125	XFEUZPMHNGKFNE-XTCWOQMQSA-N	444.396	1.559	5	40	IDBB	
O=C(NC[C@H]1CCCO1)C1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	32829853	JHHCXZPIZNWBGR-GOSISDBHSA-N	446.504	1.579	5	40	IDBB	
NS(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1	26757934	XCNAUZPJUVBRAP-UHFFFAOYSA-N	434.474	1.336	5	40	IDBB	
Nc1cc(C2CCN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)CC2)n[nH]1	79023808	OUQMHQJBFXUMGH-UHFFFAOYSA-N	436.494	1.305	5	40	IDBB	
O=C1COc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2N1	9963818	VHNOGRPXBXFKPR-UHFFFAOYSA-N	441.396	1.802	5	40	IDBB	
Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-]	15940547	HVZWTAWEHWKJHW-UHFFFAOYSA-N	448.457	1.095	5	40	IDBB	
Cc1ccc(Nc2nc(N)nc(CN[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)n2)cc1	23409286	TWLLHJSIKBKEEP-SJLPKXTDSA-N	425.449	1.598	5	40	IDBB	
COc1cccc(C(=O)NN2CC3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)c1	35326645	DTTGZYWXBCUUQZ-SFHVURJKSA-N	437.412	1.741	5	40	IDBB	
Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCOCC4)nc(N)c32)cc1[N+](=O)[O-]	19974078	VSKXHWAEAHSRKM-LBPRGKRZSA-N	427.421	1.177	5	40	IDBB	
CS(=O)(=O)NC1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1	10044496	KSTQPUJICXMDKD-UHFFFAOYSA-N	446.551	1.287	5	40	IDBB	
CC(=O)O[C@@H]1CO[C@H](Oc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@@H]1OC(C)=O	33707841	WJKSISZAVTVGCU-QBPKDAKJSA-N	442.333	1.033	5	40	IDBB	
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1[N+](=O)[O-]	40072476	NXZFJOUGXXQTFE-HUUCEWRRSA-N	426.495	1.015	5	40	IDBB	
COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccnc(N(C)C)n3)CC2)c([N+](=O)[O-])c1	72292480	XDJYDDMHMLIMLU-CQSZACIVSA-N	429.481	1.609	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)cc1C	12763278	FJNXEFWTISUGBZ-UHFFFAOYSA-N	435.506	1.558	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	102592177	MMJJEBYDNMGCPS-BETUJISGSA-N	433.417	1.569	5	40	IDBB	
COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	899679	MKMMUMXVBQVINS-UHFFFAOYSA-N	435.458	1.759	5	40	IDBB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)Nc1cccc([N+](=O)[O-])c1	3358231	KJCNSYQNZMQXKB-ZDUSSCGKSA-N	441.396	1.901	5	40	IDBB	
O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2	10198633	JPPJRCDCGXLIGS-UHFFFAOYSA-N	446.807	1.791	5	40	IDBB	
O=C1O[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)Cc2ccccc21	23122798	OULNLPUHUNXZKJ-GOSISDBHSA-N	445.453	1.209	5	40	IDBB	
CC(C)NC(=O)CN1CCCN(c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])CC1	36744525	PZHKDLBTLOTSCN-UHFFFAOYSA-N	441.554	1.318	5	40	IDBB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1	3309346	IAAWZBWYKACIKH-UHFFFAOYSA-N	439.421	1.845	5	40	IDBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	12533538	YIENNFCTYDFHMA-UHFFFAOYSA-N	449.441	1.411	5	40	IDBB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc2sccn12	3345287	NDSCYQYGKYIHTB-UHFFFAOYSA-N	435.487	1.171	5	40	IDBB	
O=C(COC(=O)CNS(=O)(=O)c1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-]	9120060	OTYRYKABGPMOHI-UHFFFAOYSA-N	427.822	1.708	5	40	IDBB	
O=C(NCCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(=O)Nc1ccccc1	19805823	ZRQCYYLNWGUWHP-UHFFFAOYSA-N	425.445	1.108	5	40	IDBB	
COC(=O)COc1ccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Br	30840443	LWBXDOKQYAUHFF-RQOWECAXSA-N	426.179	1.456	5	40	IDBB	
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	108971451	BNGCBNJEOBHSFT-UHFFFAOYSA-N	426.886	1.940	5	40	IDBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1N=CC=C[C@H]21	33893104	NBMDFEYMLHFTAW-YYQUZTFQSA-N	426.429	1.933	5	40	IDBB	
CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCN(C)C)c(=O)c3cc2c1=O	40399106	GHXBEEJNJHLLBW-UHFFFAOYSA-N	436.472	1.470	5	40	IDBB	
COc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408672923	PIRKUERSQVKPJC-BIPCEHGGSA-N	430.413	1.751	5	40	IDBB	
CC1(C)O[C@@H]([C@@H](CO)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]([C@H]2COC(C)(C)O2)O1	4823337	HXULFQLONCJNEW-DMRZNYOFSA-N	427.410	1.947	5	40	IDBB	
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)s1	95455266	GLGHHXJYIDGKMJ-UHFFFAOYSA-N	439.471	1.751	5	40	IDBB	
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])n1	6094812	IDODATBEPNILGS-UHFFFAOYSA-N	436.446	1.337	5	40	IDBB	
Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)cc1[N+](=O)[O-]	12276896	PUNRWSOPIHFKBQ-UHFFFAOYSA-N	432.506	1.804	5	40	IDBB	
CNC(=O)CSc1nnc(N2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)s1	23141773	MHJIQJWXJKWGPJ-QPJJXVBHSA-N	448.530	1.646	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)C(C)C	103911607	GWOWHHJNBNNYMX-CLCOLTQESA-N	426.473	1.946	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	226650702	YPHCMQZMZYELOI-VZJWBNGJSA-N	430.369	1.250	5	40	IDBB	
O=C(N[C@@H]1CCS(=O)(=O)C1)/C(=C/c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1	2905470	XQGKASZGYZCJMQ-UWCCDQBKSA-N	429.454	1.669	5	40	IDBB	
CCOC(=O)C1CCN(C(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	222363192	GEJBQRVROJMURF-UHFFFAOYSA-N	441.506	1.943	5	40	IDBB	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	3557104	OOXWNEPCBUMHKV-UHFFFAOYSA-N	433.442	1.513	5	40	IDBB	
CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)nn2)CC1	10213357	HWUFTXCVCOIGBE-UHFFFAOYSA-N	445.911	1.752	5	40	IDBB	
COc1cc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-]	12616703	XMPNZDFYAODTMJ-UHFFFAOYSA-N	427.369	1.690	5	40	IDBB	
COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N2CCOCC2)=N1	9344731	FDUXMQIHPKKHBF-OAHLLOKOSA-N	445.379	1.996	5	40	IDBB	
COc1ccc(C2=NO[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4OC)C(=O)[C@@H]23)cc1OC	103521439	XYCWHSAQRUUPMK-WMZOPIPTSA-N	427.369	1.913	5	40	IDBB	
COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O	409253477	UVJJKJVFFYEMJA-MLPAPPSSSA-N	440.368	1.864	5	40	IDBB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O	409148579	QPZIXSRJTPHUMO-OVCLIPMQSA-N	437.430	1.507	5	40	IDBB	
COc1cc(C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c([N+](=O)[O-])cc1OC	12764959	MJPLMQAAOJBKFI-UHFFFAOYSA-N	427.421	1.251	5	40	IDBB	
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1	22851190	VCNOWRUXMCQGQM-QGZVFWFLSA-N	435.458	1.675	5	40	IDBB	
CCOc1ccc(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	941670	JQTZRJYRIIWUHC-UHFFFAOYSA-N	427.369	1.771	5	40	IDBB	
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ccc(F)cc4)C[C@H]32)C(=O)N1	9488463	VTHRZLDSQBPMMM-KRWDZBQOSA-N	439.403	1.338	5	40	IDBB	
CCOC(=O)c1cc(C(=O)OCC(=O)c2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])c1	36390542	KONFYIWEYWHSGN-UHFFFAOYSA-N	436.398	1.459	5	40	IDBB	
COc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1	9741280	PMBLPAIHZHAQLZ-HXUWFJFHSA-N	441.488	1.647	5	40	IDBB	
CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-]	9701523	CQIKMGYQPOEJDL-UHFFFAOYSA-N	448.457	1.047	5	40	IDBB	
COc1ccc(S(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)C2CCC2)c([N+](=O)[O-])c1	72310867	WNSHTZANKVXBQS-CYBMUJFWSA-N	429.476	1.110	5	40	IDBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)COc1ccccc1	31937287	SGQTXYLHIURGPN-DAFNUICNSA-N	432.436	1.869	5	40	IDBB	
Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N2CCN(C)CC2)cc1	4850983	HNGVVNJNFPAPGC-FQEVSTJZSA-N	425.489	1.947	5	40	IDBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O	103125858	ZQDIOHKJMQOZBB-OKILXGFUSA-N	431.401	1.426	5	40	IDBB	
CC(=O)OC(OC(C)=O)[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	100341630	YPHCMQZMZYELOI-PBGAUENZSA-N	430.369	1.250	5	40	IDBB