smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408718871	RBQSGGOFFLDKKK-DKOMQPSQSA-N	569.592	2.741	5	40	KFBB	
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1NCCCN1CCOCC1	19842838	CULXCWNCTMBONK-UHFFFAOYSA-N	524.043	2.893	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	229922556	UACZHXRJBAQXAZ-HZNUMKHLSA-N	527.331	2.797	5	40	KFBB	
COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)c1	409409617	IXWRBTAMUBCPME-UHFFFAOYSA-N	594.624	2.826	5	40	KFBB	
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1	9404510	WBWCQUHZCNNSHX-UHFFFAOYSA-N	515.573	2.801	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)NC(=O)N(Cc5ccccc5)C4=O)[C@@H]3C2)cc1	98008942	VAGGUHDHAWCTHH-ABYGYWHVSA-N	589.630	2.604	5	40	KFBB	
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(s/c(=C\c4cccc([N+](=O)[O-])c4)c3=O)=N[C@]12c1ccccc1	102656444	VNKFZTBMPACPRI-KYDOHJILSA-N	526.578	2.527	5	40	KFBB	
CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O	32991124	KVQMVRLBTFVAMP-RBUKOAKNSA-N	514.604	2.994	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408718872	RBQSGGOFFLDKKK-IZBTWGKQSA-N	569.592	2.741	5	40	KFBB	
Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(I)cc1	409148582	ZZQVKHLGYNFKMC-UHFFFAOYSA-N	552.354	2.989	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224060109	OVHOJNSUGOVUPY-SFHVURJKSA-N	532.619	2.846	5	40	KFBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@@H]3CCCO3)c2=N)cc1OC	101163314	LJWXZQZPDNECPF-IBGZPJMESA-N	517.586	2.606	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1	103085925	AQZQVWQAKDEHLA-UHFFFAOYSA-N	554.581	2.910	5	40	KFBB	
O=C1[C@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	104156708	MSILVXJYXSPKRS-ZCOUOSKHSA-N	551.515	2.973	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224096694	GZWIRKDNINNDRS-IBGZPJMESA-N	504.609	2.859	5	40	KFBB	
COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1	408646156	TVPDCBLUCHZTEL-BSZKWMGISA-N	501.495	2.897	5	40	KFBB	
CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O	409236290	DFYZJPOQUNAYJK-LZYBPNLTSA-N	536.282	2.999	5	40	KFBB	
O=[N+]([O-])c1ccc(C=C(Br)c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1	2049238492	GKZGDBPAYJJFFF-UHFFFAOYSA-N	509.268	2.889	5	40	KFBB	
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	72132368	ZMNCIAGFQBUWTJ-OEMFJLHTSA-N	535.619	2.729	5	40	KFBB	in-vitro
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223061667	FMXDYIOAEYBWGG-OAHLLOKOSA-N	571.450	2.685	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224618785	GZKJYNIEBMPQIM-OAQYLSRUSA-N	504.609	2.655	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409141133	MCIUCNRGGQGSMS-QVFHAIOXSA-N	552.521	2.652	5	40	KFBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O	97985884	MSFTXCWPMYDUNK-RQZCQDPDSA-N	514.903	2.697	5	40	KFBB	
O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408684158	OGNPOLHJYNMNAM-HDLCADABSA-N	511.490	2.969	5	40	KFBB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[C@@H]21	604405485	ORPMEIKOCMYYBM-VCCADOKLSA-N	585.573	2.534	5	40	KFBB	biogenic
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225375929	APVQTMWPUXHWNB-QFIPXVFZSA-N	520.608	2.703	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)CC2)cc1	100072882	YSCHRXPXBKZDIJ-UHFFFAOYSA-N	558.638	2.632	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(F)cc1	100649988	ARTJIWSWYFZYNC-FCKOQQNDSA-N	552.584	2.682	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029445	AYUWKQNJTYDPIJ-NRBGUCFGSA-N	641.655	2.674	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(Br)cc2Cl)c([N+](=O)[O-])c1	103116343	BZSPWANSHQYHLF-UHFFFAOYSA-N	520.745	2.779	5	40	KFBB	
O=C1[C@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	103519494	JDDQEJKQYDPUEV-FYBXHKAZSA-N	502.458	2.607	5	40	KFBB	
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	102777790	ILHQMWIWYVRACB-FQEVSTJZSA-N	546.583	2.820	5	40	KFBB	
CCOC(=O)[C@H]1C(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	4288165	RDMUJVWEBOAMQJ-FPISHFTHSA-N	552.808	2.795	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223065157	IWVBCIFPUKOWHC-MRXNPFEDSA-N	555.451	2.985	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224128123	JGXRDFVLEDUGHR-IBGZPJMESA-N	534.635	2.867	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	6487663	SMEIUHFNFXMOQN-XOBACGFXSA-N	569.592	2.741	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501020	UNQBWZNSLQZNDO-RTXJXEIKSA-N	588.392	2.903	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224893460	JLSJAKADYQSGFE-QHCPKHFHSA-N	534.635	2.949	5	40	KFBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225564237	BRUSBMOLYGQUMJ-INIZCTEOSA-N	511.000	2.956	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1OCC	16692929	LNLWRQUPWIVXFQ-CNEDASOKSA-N	513.528	2.707	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@@H]1c1ccccc1OC	408727419	RYNQUEOSGWXODM-WVWKGNOCSA-N	509.540	2.724	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225226157	BTJAWAFYGOFQHY-IAGOWNOFSA-N	508.572	2.832	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042578	YLFDJBAUDTUPHK-AOLPSBPOSA-N	581.603	2.657	5	40	KFBB	
O=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1Cl)Nc1ccc(F)cc1[N+](=O)[O-]	103116352	UGTFMRXGSUCBMA-UHFFFAOYSA-N	524.708	2.610	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409268444	ZUAHMZJAQPUBAZ-QHCPKHFHSA-N	544.611	2.606	5	40	KFBB	
O=C(COC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cc([N+](=O)[O-])ccc1F	103066049	PMSUOHIYONKXOF-UHFFFAOYSA-N	525.511	2.526	5	40	KFBB	
O=C(COc1ccc(Cl)cc1Cl)NC[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	98001520	WSLIXNUYFJKJIW-XDTJVVMOSA-N	518.309	2.910	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4018293	HNMIKOOOFXIEHP-VSGBNLITSA-N	661.712	2.734	5	40	KFBB	
CC(=O)Nc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1C(=O)O	100069826	FOCNNMVFILIGNR-XKZIYDEJSA-N	549.521	2.775	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260934146	XXXUDBWFNBRGSF-LJQANCHMSA-N	534.635	2.867	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408942827	LJMRTCONXMIBON-JRCVWDDOSA-N	543.941	2.707	5	40	KFBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21	409012518	IMGPNPJLZSSZTB-WLGHQHAYSA-N	583.619	2.749	5	40	KFBB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nn23)cc1	9578611	SUTWRUTWUPKIQW-UHFFFAOYSA-N	507.532	2.744	5	40	KFBB	
CCOc1ccc(CCNC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OCC	12522639	LSHQBGXLTYZVLA-UHFFFAOYSA-N	501.536	2.745	5	40	KFBB	
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19972925	LXJBVZQEFWOBNR-DEOSSOPVSA-N	518.578	2.543	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl	408653625	JCIQXHNZGURRIT-GFCCVEGCSA-N	528.827	2.942	5	40	KFBB	
Cc1nc(N(CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c(C)n1N	34651258	KURLUAIWVHFAEK-LXGCGDOSSA-N	522.628	2.903	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224379953	CKRRPFOLHUMBCC-HXUWFJFHSA-N	508.572	2.752	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261038816	YJPNKGIZOFKUQF-MOPGFXCFSA-N	534.635	2.744	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223491585	ISQBTGYLMFJYQF-SFHVURJKSA-N	520.608	2.703	5	40	KFBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224295605	NPAUQGDSPRWZLM-KRWDZBQOSA-N	508.572	2.689	5	40	KFBB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)OCC(COC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1)OC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	2060990581	PHBJBHSZSNXZJD-UHFFFAOYSA-N	713.517	2.916	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222922953	FQHRSCFBDLQESE-JOCHJYFZSA-N	504.609	2.735	5	40	KFBB	
CCOC(=O)c1ccc(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(OC)cc2)cc1	102926142	RXBFCQRGKGMBCU-UHFFFAOYSA-N	550.571	2.886	5	40	KFBB	
C[C@@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	51012093	ZZHGMJPFAQWSKR-CYBMUJFWSA-N	525.499	2.749	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222833802	GTZLLCGMTBHEHK-IBGZPJMESA-N	540.598	2.962	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cc(OC)cc(OC)c1	101176791	SPHBDHJBRVDDSQ-OLFWJLLRSA-N	520.542	2.621	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224761637	ADFHELQGVOQJQL-SFHVURJKSA-N	520.608	2.621	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224832499	ODOJWRWXHRULBB-MRXNPFEDSA-N	541.026	2.966	5	40	KFBB	
O=C(NCC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	102119067	LQTVUBMNINGDCI-UHFFFAOYSA-N	502.396	2.602	5	40	KFBB	
CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222881231	SCEINOMOQCUDLV-HXUWFJFHSA-N	524.599	2.996	5	40	KFBB	
COc1cc([C@@H]2CC(=O)N=C3N=CNN32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409383278	SYFVRDXTGYFAAO-HNNXBMFYSA-N	521.271	2.963	5	40	KFBB	
O=C(Nc1ccc(NC2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)c([N+](=O)[O-])c1	1694064	MHFMNXJOPPOQBO-UHFFFAOYSA-N	527.545	2.842	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	8425937	HCPGUQAJTUTBJG-IMEWXKHHSA-N	509.540	2.724	5	40	KFBB	
CSCC[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NCc1ccc(C)cc1	12655560	KWRNBZGSDSXQOC-OAQYLSRUSA-N	522.649	2.774	5	40	KFBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@H]3CCCO3)c2=N)cc1OC	101163318	LJWXZQZPDNECPF-LJQANCHMSA-N	517.586	2.606	5	40	KFBB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	103116336	SGMGETSCGCVDSR-INIZCTEOSA-N	533.559	2.743	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)Cc1ccc(OC)c(OC)c1	103628598	QZHYBKPCJMQHSI-BXVZCJGGSA-N	534.569	2.550	5	40	KFBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cc(I)cc(I)c1O	104926835	CFVAWKCMSDPGRU-OWOJBTEDSA-N	527.012	2.881	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225362460	HNHDGUWTYGCGFW-ZWKOTPCHSA-N	520.608	2.701	5	40	KFBB	
Cc1c(N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	102797583	RFNSLRLESCAIEV-UHFFFAOYSA-N	573.565	2.885	5	40	KFBB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	103113243	BEBNIXAOLOSGIE-UHFFFAOYSA-N	615.086	2.615	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225269594	CKUKEBHMZGSKQB-HXUWFJFHSA-N	538.598	2.842	5	40	KFBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4[N+](=O)[O-])C3)cc2)cc1	408639805	ZTUBCVBTJLPTHQ-IBGZPJMESA-N	581.559	2.590	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	224629903	WHBGPFBCYPFIGP-INIZCTEOSA-N	541.026	2.965	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccc(OC)c1	101234672	AHXCYZZYJPZAGF-OLFWJLLRSA-N	504.543	2.921	5	40	KFBB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224411546	YXILHHYIAXPTPU-HSZRJFAPSA-N	568.674	2.509	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)NC(=O)N(c5ccccc5)C4=O)[C@@H]3C2)cc1	103027671	FHFLGAJQDLTCKB-CUBQBAPOSA-N	575.603	2.608	5	40	KFBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)C1	108957773	HWMSUKFRLOWCFW-QLODZENZSA-N	543.602	2.667	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260918216	SPFFWISKHLPQPN-LJQANCHMSA-N	534.635	2.601	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(F)cc1	8400047	KMKDBWVKKFDQRA-ZMIGGIFCSA-N	565.627	2.597	5	40	KFBB	
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	9234625	HCHDLSARMLLYRF-ZXKWBQDJSA-N	522.514	2.577	5	40	KFBB	
O=[N+]([O-])c1ccc(/C=C(/Br)c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1	4265830	GKZGDBPAYJJFFF-LFYBBSHMSA-N	509.268	2.889	5	40	KFBB	
O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	38152241	CFZQGEVDLOVXKI-UHFFFAOYSA-N	548.565	2.587	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	101217362	ZZCVTLQPMFIIIW-QITHXXROSA-N	531.525	2.963	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)Cc1ccc(OC)c(OC)c1	103629129	WHMNQGWQZKORFV-YNLFXHEXSA-N	546.580	2.692	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225399828	BMEQFHZFLRHACM-ZWKOTPCHSA-N	550.634	2.710	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409143677	GNVJQMHUDSNQRG-IOKRJLGCSA-N	507.524	2.744	5	40	KFBB	
Cc1cc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2C[C@H]2CCCO2)n(C)n1	102006109	ALSKVSQQIJMZIS-QGZVFWFLSA-N	530.567	2.945	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccccc1N1CCOCC1	409196462	WAZPMNFZEHZLSY-KQWNVCNZSA-N	553.597	2.943	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261009248	TWZOOSMKUILCCH-IRXDYDNUSA-N	538.598	2.841	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1	408690573	VZAZXBJSOFKHIQ-JOCHJYFZSA-N	503.467	2.993	5	40	KFBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCCC2	409147673	NGTDFMIIKWGNHZ-UHFFFAOYSA-N	543.631	2.906	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	2148639	RVDOJTSPPOLOOA-FNUHDPNESA-N	539.566	2.819	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409368873	QQLJIFAYXNMSCW-PRWBYUBPSA-N	508.512	2.923	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(I)cc1C)S(C)(=O)=O	408548408	QYWPBQFYHAZXCB-UHFFFAOYSA-N	519.317	2.921	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222630235	DHFMDKLELKFAEY-OAQYLSRUSA-N	508.572	2.832	5	40	KFBB	
CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222881404	PWAYPZWEMHPBBA-HXUWFJFHSA-N	524.599	2.996	5	40	KFBB	
CCOC(=O)[C@@H]1C(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	4288162	RDMUJVWEBOAMQJ-NKPGLDSYSA-N	552.808	2.795	5	40	KFBB	
CC[C@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccc(Br)cc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@H](O)CN2CCCCC2)[C@@H]1O	104156495	FLBNPKVMSCMVDP-MYLDHPPOSA-N	547.558	2.679	5	40	KFBB	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@+](C)(C[C@H]3CO3)[C@@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c(SCCO)cc(O)c12	253488235	ZYTAXTPQNBATFV-KMLCTOIQSA-O	552.669	2.727	5	40	KFBB	
CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)c([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N=3)cc1	409176170	JITDOMANVUFPMG-RTOMEVGKSA-N	565.604	2.957	5	40	KFBB	
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc2c1CC[C@@H](C)C2	38145498	XJKJYROVZKIMJI-OAHLLOKOSA-N	536.632	2.513	5	40	KFBB	
O=C(COC(=O)[C@@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	29747825	KCNYGPBHCOZNPB-ZXUKWVLQSA-N	605.644	2.922	5	40	KFBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n21	409012517	IMGPNPJLZSSZTB-NLZIUFDSSA-N	583.619	2.749	5	40	KFBB	
CCN1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	19855848	SFZXMAUDISGHLX-UHFFFAOYSA-N	511.000	2.925	5	40	KFBB	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	103123798	DKXOGXFIKVIDNV-UHFFFAOYSA-N	545.526	2.680	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050625	XWXWHEDFUKVDJV-XFOXHJFNSA-N	723.498	2.967	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224440990	CFZYVARJYDKFJP-IBGZPJMESA-N	534.635	2.867	5	40	KFBB	
CN1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)ccc2[N+](=O)[O-])CC1	9720440	NUHNUODFSALRBR-UHFFFAOYSA-N	524.441	2.620	5	40	KFBB	
Cn1c(=O)c2c(SCC(=O)Nc3nc4ccccc4s3)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O	11758239	HUIDQAIPFZULSQ-UHFFFAOYSA-N	535.567	2.943	5	40	KFBB	
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nn12	105306724	FGETYNIRZSXHQL-UHFFFAOYSA-N	552.642	2.965	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224334777	SEIZXWCDQXJCGR-LJQANCHMSA-N	541.026	2.966	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(C)cc1	8445138	OXOUDQOULCFNEW-OWXSRONMSA-N	548.621	2.852	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc(OC)c1	11691242	CUEDCVLNQHIJFJ-RHBUKLTISA-N	502.527	2.755	5	40	KFBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260923750	UKRMIXRSRYPDFY-LJQANCHMSA-N	504.609	2.859	5	40	KFBB	
O=C(COC(=O)[C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	29747826	KCNYGPBHCOZNPB-WBUJOAAGSA-N	605.644	2.922	5	40	KFBB	
CCOCCCn1/c(=N\C(=O)c2ccc3c(c2)OCO3)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101236489	WCUPVMQVMRJZHC-OLFWJLLRSA-N	518.526	2.722	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408724847	DUWDAWZEUVMJLL-FJWZAKCXSA-N	539.566	2.732	5	40	KFBB	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOc1ccc([N+](=O)[O-])cc1OCCOCCO2	4257042	NMFBKAUQJNTTBW-UHFFFAOYSA-N	507.452	2.724	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C	95600001	XSNZEWFMBWEIDD-DNVCBOLYSA-N	545.492	2.536	5	40	KFBB	
COC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1C	103113259	HMAHGIGBKSTUQZ-UHFFFAOYSA-N	541.966	2.807	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O	105283328	YRMXOBNCLIMFJC-UHFFFAOYSA-N	540.620	2.573	5	40	KFBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4O)c(=O)n32)cc1	2139490	SMMOWCXYFPFOHB-JAORQVBISA-N	509.540	2.809	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)[C@H](C)Oc1ccccc1	101177072	ANCNKSZNYANLGB-CHPSGURJSA-N	516.554	2.900	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OCC)cc1	102631836	ZRYZKVXYDVUGBQ-ASSGYOTOSA-N	578.647	2.942	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224579947	DRWSCJNOFLJDDK-OAQYLSRUSA-N	520.608	2.621	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409097092	MYPCVOPTNLVHKE-KIHONOKQSA-N	597.606	2.643	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224298527	RYILOTIPFGLCSD-KRWDZBQOSA-N	538.598	2.698	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260730625	KAZDCVFFVMVLCJ-QGZVFWFLSA-N	508.572	2.750	5	40	KFBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl	1836170	SHHGPJFOVDNMAK-CNSVBDKNSA-N	513.959	2.986	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1	138676798	BUHIZNTVOFOUKE-NSHDSACASA-N	525.301	2.585	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1	408658196	QGYGVDOPCKENHE-HXUWFJFHSA-N	516.510	2.788	5	40	KFBB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)NCc1ccc2c(c1)OCO2	12599967	VDVHMZSCVHWQQC-UHFFFAOYSA-N	513.484	2.598	5	40	KFBB	
O=[N+]([O-])c1ccc(N2CCOCCOCCN(c3ccc([N+](=O)[O-])cc3)CCOCCOCC2)cc1	16428145	GUTPYTQTDZOLKI-UHFFFAOYSA-N	504.540	2.896	5	40	KFBB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1	103102367	CNJDIEPUGGSYOV-UHFFFAOYSA-N	518.331	2.718	5	40	KFBB	
CCOC(=O)C1=NO[C@@H]2COC3(CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)OC[C@@H]12	8762172	SGNQFVXWCDXVOD-IUODEOHRSA-N	518.401	2.799	5	40	KFBB	
O=C(NC(=S)Nc1ccc(I)cc1C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	100008719	YQOPIHKCBOFJDJ-UHFFFAOYSA-N	516.229	2.933	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OCC)cc1	100703102	ZRYZKVXYDVUGBQ-FCYPAOMHSA-N	578.647	2.942	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	604405687	UNKOSLXVROESEG-OGYMIEPQSA-N	500.555	2.986	5	40	KFBB	biogenic
CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409180465	TYRGDGHTDFGZSQ-KRWDZBQOSA-N	543.337	2.727	5	40	KFBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)NCCN1C(=O)CSC1=O	12542477	PLVSOKVDMMYKGV-UHFFFAOYSA-N	506.924	2.829	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408686671	NLRPXHGAHIGBIZ-HNBCFHINSA-N	503.511	2.803	5	40	KFBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223882675	RRUHLZATXAFGPH-KRWDZBQOSA-N	520.583	2.976	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260878541	BSUXLYJKAJXZOA-MSOLQXFVSA-N	550.634	2.710	5	40	KFBB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1C	408666837	SVOWBVMCYLVTEF-AWEZNQCLSA-N	533.335	2.649	5	40	KFBB	
CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	59331734	SMEGBGMUDNUDRC-UHFFFAOYSA-N	526.619	2.617	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	104044145	UACZHXRJBAQXAZ-JYISGYRJSA-N	527.331	2.797	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222758150	CIDXPRWTJJAZGU-CYBMUJFWSA-N	547.417	2.840	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223445921	PCCPQAUNRBHMCP-GOSISDBHSA-N	520.608	2.703	5	40	KFBB	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	604405128	XBZLCVAUSGZVAJ-ZENTWMBTSA-N	539.548	2.907	5	40	KFBB	biogenic
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1	100533291	BEQOCWKLWCFKJT-VVOOWDFBSA-N	539.566	2.732	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224764203	XDQZQJGCSQYPQT-LJQANCHMSA-N	504.609	2.921	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409116196	MAFGANYJCRVHIT-JGTYQCAFSA-N	552.609	2.735	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	223115162	RFFQNXBVGZQCCC-SFHVURJKSA-N	534.635	2.744	5	40	KFBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3cccnc3)c2=N)cc1OC	100929576	YTRPGNFADFGSGF-UHFFFAOYSA-N	524.581	2.870	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OCC	408738001	HPSVWOFZZVIFTJ-WLJFKGHSSA-N	509.540	2.811	5	40	KFBB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)CC1	11852935	KIQWERFGCKVYCX-UHFFFAOYSA-N	519.561	2.920	5	40	KFBB	
CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	112231969	IWBONHGIHZEUBY-UHFFFAOYSA-N	540.646	2.863	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222661907	NQZWWBUXWGMSSL-CYBMUJFWSA-N	547.417	2.840	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408982444	DPEALMGECPNWAY-JUTHHCEFSA-N	539.566	2.819	5	40	KFBB	
O=C(CN1C(=O)S/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)C1=O)c1ccc([N+](=O)[O-])cc1	409276256	ZNBJTLZDOVBOJN-FYJGNVAPSA-N	511.512	2.752	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	8397529	QZQCJACLQVFPCR-YGJMBROUSA-N	588.529	2.944	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)[C@@H](C)Oc1ccccc1	11691259	ANCNKSZNYANLGB-GTUOBBAPSA-N	516.554	2.900	5	40	KFBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225543929	PTZNPZGRCOHILR-MRXNPFEDSA-N	511.000	2.956	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)c(Cl)c1	408655160	LCEGMCYETVIUIO-LBPRGKRZSA-N	539.726	2.686	5	40	KFBB	
C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(S(N)(=O)=O)cc1	12590880	QPFZWEGCDFPJBO-AWEZNQCLSA-N	504.546	2.534	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1	101176794	KHRXLJLVLNBFOG-JVCXMKTPSA-N	550.568	2.629	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222787191	XGKDQQPSKYKTLX-IBGZPJMESA-N	540.598	2.962	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225089380	YZIPDUWUYAFBEO-HXUWFJFHSA-N	520.608	2.703	5	40	KFBB	
CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	105317042	VHAVTJWRBACKGT-UHFFFAOYSA-N	547.037	2.880	5	40	KFBB	
O=C(COc1ccc(Cl)cc1Cl)NC[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	98001519	WSLIXNUYFJKJIW-OYWYANMWSA-N	518.309	2.910	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C	9210521	MHKKYHPHQRAJNX-NFFVHWSESA-N	519.514	2.738	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	101176754	LCUHZQOPVDCQLB-QYQHSDTDSA-N	505.487	2.512	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638737	DFZWLNYEUDHVFG-ZNHHMURHSA-N	516.466	2.796	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409370734	DPCVZBYMYQWKCR-ZNQKWNQWSA-N	508.512	2.923	5	40	KFBB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)=O	409386141	LHJTZWYPVZZXCZ-UIOOFZCWSA-N	654.537	2.937	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408989601	UFFDASVCIRCCLN-VVOOWDFBSA-N	569.592	2.828	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225267230	IFDMTQZBQKOWCY-NRFANRHFSA-N	508.572	2.834	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260785146	LKWTZNZHYAMAAY-QGZVFWFLSA-N	520.608	2.701	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccccc1OC	409102201	DCGDXTVNZPQQDW-XKGHIZKOSA-N	591.690	2.857	5	40	KFBB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[C@@H]21	604404616	GBSXLOSSOHRFFD-WJSCTFBISA-N	599.600	2.925	5	40	KFBB	biogenic
O=C(CCC(=O)OCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104157801	HWFRYZWDUYEGSH-UHFFFAOYSA-N	536.410	2.710	5	40	KFBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223882735	RRUHLZATXAFGPH-QGZVFWFLSA-N	520.583	2.976	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260865491	CFZYVARJYDKFJP-LJQANCHMSA-N	534.635	2.867	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OCC	408737321	BSQCLZSCYPYGMO-WLJFKGHSSA-N	539.566	2.819	5	40	KFBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	100982217	IWUMFZSGJQKUIC-NDEPHWFRSA-N	628.704	2.951	5	40	KFBB	
O=C(NCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	102119171	GPBYEDUMVPXLTR-UHFFFAOYSA-N	502.396	2.602	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(F)cc1	103784784	YCJAQKKKMKBMDQ-IYMWYRQMSA-N	527.530	2.863	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222833894	QZGMMFYSULQAPG-LJQANCHMSA-N	540.598	2.962	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1	2148659	RVDOJTSPPOLOOA-AFHVAHMMSA-N	539.566	2.819	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@H]1c1ccccc1	34868406	PTIGNNFULGUZCN-JCAJYURWSA-N	509.540	2.811	5	40	KFBB	
CCOC(=O)CN1C(=O)[C@]2(OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)c2cc(Br)ccc21	98007805	KFVRYKUKFGPFRR-OAQYLSRUSA-N	517.292	2.660	5	40	KFBB	
CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224618834	GZKJYNIEBMPQIM-NRFANRHFSA-N	504.609	2.655	5	40	KFBB	
CN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	12521544	FTNHGFUFKUGYNX-UHFFFAOYSA-N	517.608	2.539	5	40	KFBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)cc3c3ccnc2c31	70708475	VJQJPGNKJCLDSW-UHFFFAOYSA-N	586.626	2.994	5	40	KFBB	biogenic
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	408732073	RMTVZBFNQLBUQQ-WLJFKGHSSA-N	509.540	2.920	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040841	UVPHLJJTFNSRBH-NRBGUCFGSA-N	641.655	2.674	5	40	KFBB	
O=C(CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O)Nc1ccccc1F	409213246	RXSIVAVUHQBEBA-MKMNVTDBSA-N	526.218	2.576	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260863320	BSRNNNKKPLPPRA-GOSISDBHSA-N	550.634	2.568	5	40	KFBB	
CS(=O)(=O)CC[C@@H](C(=O)OCc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	409181646	DNHIVFTXPRXPFX-INIZCTEOSA-N	525.333	2.500	5	40	KFBB	
CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222881459	PWAYPZWEMHPBBA-FQEVSTJZSA-N	524.599	2.996	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccccc1	408718819	MPLQKJUYRXQCKG-AFHVAHMMSA-N	509.540	2.724	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc(OC)c1OC	101176792	YLTFNZXTEVDEPP-OLFWJLLRSA-N	520.542	2.621	5	40	KFBB	
O=C(OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4921537	MRWCZWASOUTDDT-CEXWTWQISA-N	594.411	2.742	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc2c(c1)OCO2	101227705	DXSPKPCNYSHWTC-JJJNVUDDSA-N	530.537	2.783	5	40	KFBB	
Cc1c(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	112246843	BLNOTDQVKCZXEB-HSZRJFAPSA-N	544.611	2.606	5	40	KFBB	
O=C(OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4921534	MRWCZWASOUTDDT-GUDVDZBRSA-N	594.411	2.742	5	40	KFBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	138295345	HPGKSOJRYRIUPC-UHFFFAOYSA-N	514.516	2.545	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12	1547138148	UNKOSLXVROESEG-VORDJEAISA-N	500.555	2.986	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc(OC)c(OC)c1	101135518	IQAMWKSDZMUCOE-JVCXMKTPSA-N	534.569	2.929	5	40	KFBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)C1	108957770	HWMSUKFRLOWCFW-BFIDETRKSA-N	543.602	2.667	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1	408683515	IEGOHWAPZWRDIC-NBAFEDJBSA-N	541.516	2.977	5	40	KFBB	
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	4536350	MXLWQNCWIIZUQT-GHMZBOCLSA-N	534.517	2.899	5	40	KFBB	biogenic
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)C1=O	106742467	ASQKTLTXRGPKDT-BOPFTXTBSA-N	522.513	2.971	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	100703096	ZRYZKVXYDVUGBQ-KDSDTBODSA-N	578.647	2.942	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224928081	DFTGAGWTKKYELU-JOCHJYFZSA-N	564.661	2.958	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N(C)C)c(=O)n32)cc1OCC	408936085	FJGRXLSYBKUPFR-BJYRUZDYSA-N	552.609	2.790	5	40	KFBB	
CC1CCN(C(=O)COC(=O)[C@H](Cc2c[nH]c3ccccc23)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	102925344	FTXIWDBIYZYBLB-SANMLTNESA-N	613.693	2.922	5	40	KFBB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223131973	BSXSYIXNZCBXDP-SFHVURJKSA-N	526.999	2.576	5	40	KFBB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	408630940	YGLSTCFQOJOXEE-UHFFFAOYSA-N	556.597	2.989	5	40	KFBB	
C[C@@H](N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	98007404	LGFPKEPPOVZXMQ-JIXDVYFWSA-N	593.681	2.862	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2	230045326	MSILVXJYXSPKRS-FZYNUTEISA-N	551.515	2.973	5	40	KFBB	
CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224498502	OPJRDMOYOVKMFH-LJQANCHMSA-N	504.609	2.593	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(CN2CCOCC2)c1)S(C)(=O)=O	224749329	HVGXIZNMMSZWMZ-UHFFFAOYSA-N	504.609	2.598	5	40	KFBB	
COC(=O)c1ccccc1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2759253	DVBLFPHPMSNWKG-UHFFFAOYSA-N	521.485	2.874	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1ccc(O)c(OCC)c1	408731534	NLRZLLMOJLRQTO-ZRELAVNMSA-N	509.540	2.920	5	40	KFBB	
CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409182813	OSJHWHVGPQTHFH-QGZVFWFLSA-N	543.337	2.727	5	40	KFBB	
COc1cc([C@H]2CC(=O)N=C3N=CNN32)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	409383280	SYFVRDXTGYFAAO-OAHLLOKOSA-N	521.271	2.963	5	40	KFBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	25356752	LXFYMLGJRAKXJG-UHFFFAOYSA-N	509.899	2.624	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409332494	GAJQXSKIAXUFJZ-SARUNTBLSA-N	513.528	2.707	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)CCOc1ccccc1	103629141	OKFZPFQFYWJVQQ-LAQJEIFGSA-N	516.554	2.901	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1	408677596	AYYBKVKVWCBPSJ-SMYALWGKSA-N	521.526	2.728	5	40	KFBB	
Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(I)c3O)C2=O)c1	409106510	MLDIFCKEXADDET-VIZOYTHASA-N	522.255	2.745	5	40	KFBB	
O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)[C@H](/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cccs3)C(=O)N12	4213987	LLRLNYXQHGJJLB-NBEZNCCXSA-N	516.513	2.730	5	40	KFBB	in-vitro
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cc(OC)cc(OC)c1	101118539	LBUKBMBMKXIXRZ-JVCXMKTPSA-N	534.569	2.929	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(F)cc1	59600257	JJAHHLBDHXOTHP-YOGOOIESSA-N	511.487	2.574	5	40	KFBB	
C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C	97971287	AYEDZJUGKUGYOD-LBPRGKRZSA-N	512.435	2.554	5	40	KFBB	
O=C(O)c1cc(S(=O)(=O)NN2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)ccc1O	8873416	NHIHZIGHSSJEOE-UNOMPAQXSA-N	508.468	2.522	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccc(OC)c1	101177035	CUEDCVLNQHIJFJ-OAGTXPOXSA-N	502.527	2.755	5	40	KFBB	
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(N2CCOCC2)cc1[N+](=O)[O-]	3212185	HHSIBJHZGJNDHY-UHFFFAOYSA-N	519.517	2.881	5	40	KFBB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)n2N)c1	2617360	NTTBPBMQAMBZCI-UHFFFAOYSA-N	520.593	2.756	5	40	KFBB	
O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	150499199	BQEWZDBTVONFFN-UHFFFAOYSA-N	751.576	2.967	5	40	KFBB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)s1	225496755	RZQKKUCJICLJAO-UHFFFAOYSA-N	523.574	2.545	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(C)(=O)=O	408619120	MENRSPXPMNVHGK-UHFFFAOYSA-N	516.498	2.737	5	40	KFBB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223135224	BZMDMQSFKWAYQK-LJQANCHMSA-N	511.000	2.876	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccccc1OC	409099832	LVTPYCDRPTURFO-YJADQXIJSA-N	522.583	2.726	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	104044151	UACZHXRJBAQXAZ-LPSTTYAQSA-N	527.331	2.797	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(C)cc1	408832114	PXSOQUFEHRHBCQ-CYEGBWLXSA-N	524.511	2.629	5	40	KFBB	
COc1ccc(CCN2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1OC	8972100	PPEQCORZRTZMHZ-GJZUVCINSA-N	508.531	2.835	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223264614	KRPPDMQCZGHWMT-KRWDZBQOSA-N	538.598	2.842	5	40	KFBB	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N@+](C)(C[C@@H]3CO3)[C@@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c(SCCO)cc(O)c12	253488236	ZYTAXTPQNBATFV-RYKWDKDCSA-O	552.669	2.727	5	40	KFBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	106709076	SDSBSQLGWYDCDP-PDGQHHTCSA-N	500.489	2.686	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225586734	KAZDCVFFVMVLCJ-KRWDZBQOSA-N	508.572	2.750	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260911696	QJXBHUDRPVFUDX-GOSISDBHSA-N	520.608	2.559	5	40	KFBB	
COC(=O)Cn1/c(=N/C(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2cc(S(N)(=O)=O)ccc21	100876739	AWOVQHNOONMTBZ-LCUIJRPUSA-N	523.548	2.524	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223754833	OFKUULPWNYXVJR-MRXNPFEDSA-N	511.000	2.876	5	40	KFBB	
O=C(C[C@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	102909011	ZAYLFXVANSJNKJ-JOCHJYFZSA-N	536.614	2.980	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225267191	IFDMTQZBQKOWCY-OAQYLSRUSA-N	508.572	2.834	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1	408655184	LHVIBJGUSRXZJF-MRXNPFEDSA-N	512.519	2.576	5	40	KFBB	
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(OC)cc([N+](=O)[O-])cc4s3)cc2)CC1	11852939	DEHWNNLAHWXJMV-UHFFFAOYSA-N	549.587	2.928	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1	97965067	NFFFXBMQIISCJV-JVCXMKTPSA-N	550.568	2.548	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc(OC)cc1	101032532	DVVUHIJTFIOHRB-OLFWJLLRSA-N	504.543	2.921	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225511448	MHVSBRLAWXRRFK-XMMPIXPASA-N	554.625	2.756	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2cccs2)cc1	408638275	QOVINYOUWLUIQO-INIZCTEOSA-N	537.506	2.795	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409162322	UAEZLCYGPUTUIH-IDQDRXHYSA-N	524.511	2.629	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224162021	OKKIYJCSDONSGE-HXUWFJFHSA-N	520.608	2.621	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccccc1OC	409106924	PZRIVERLCVMGPT-SEXPAEGTSA-N	550.593	2.749	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)S(C)(=O)=O	44904561	VRAFXRCELNLWDX-UHFFFAOYSA-N	519.561	2.504	5	40	KFBB	
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)Nc1ccc(F)cc1[N+](=O)[O-]	102777990	QJDLWKKUXIOPEH-SFHVURJKSA-N	532.344	2.981	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260873369	FVJKCBCAOKHWHL-LJQANCHMSA-N	534.635	2.867	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	2059010	OIBOQIKCGGCJPX-AFHVAHMMSA-N	507.524	2.632	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2	230045333	MSILVXJYXSPKRS-LGZHOBANSA-N	551.515	2.973	5	40	KFBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224189872	BBXMETOXQPJWDA-IBGZPJMESA-N	504.609	2.859	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n32)cc1OCC	408932877	FJIZJIKAUWMJID-WCCCRJGXSA-N	509.540	2.724	5	40	KFBB	
CCOC(=O)COc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)c([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N=3)cc1	409176169	JITDOMANVUFPMG-NQDYMZAQSA-N	565.604	2.957	5	40	KFBB	
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(s/c(=C\C=C/c4ccc([N+](=O)[O-])o4)c3=O)=N[C@]12c1ccccc1	100085836	AOODZAXTWUHYTR-LQVNABPBSA-N	542.577	2.785	5	40	KFBB	
COc1cccc(C(=O)NCCNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2O)c1	102798986	BAOMOOVKVAJOKE-UHFFFAOYSA-N	548.961	2.923	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224206121	GVDJRRUTGJSQDB-FQEVSTJZSA-N	520.608	2.621	5	40	KFBB	
COc1c(F)c(F)c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(F)c1F	105303698	XWWIQUKFHYVERS-UHFFFAOYSA-N	557.526	2.833	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	68581423	WIYUYDWXDYFMNR-BGBDVBRQSA-N	588.529	2.944	5	40	KFBB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)C1	96021383	HWMSUKFRLOWCFW-LEHBWIKQSA-N	543.602	2.667	5	40	KFBB	
COc1cc(NC(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)cc1[N+](=O)[O-]	103066062	OWEHNAQODKBTHO-UHFFFAOYSA-N	551.574	2.704	5	40	KFBB	
CCOC(=O)COc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Cl)cc1[N+](=O)[O-]	409403168	ZBNXJFBCSITNSO-AUWJEWJLSA-N	507.839	2.663	5	40	KFBB	
CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CNS(=O)(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)ccc21	102226167	CUNHMLXGONSVNR-UHFFFAOYSA-N	587.632	2.678	5	40	KFBB	
Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12	6443704	HTVRGDOQWTYOKH-RDGATRHJSA-N	530.589	2.822	5	40	KFBB	
O=C(C[C@@H]1SC(N2CCCC2)=NC1=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	102909013	ZAYLFXVANSJNKJ-QFIPXVFZSA-N	536.614	2.980	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408638546	RRPUGIVYLMKXAD-GOSISDBHSA-N	576.474	2.642	5	40	KFBB	
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(=O)c2ccccc2)[C@H](O)[C@@H]1OC(=O)c1ccccc1	106384417	PGMLFNAQJLVCQA-LKNBFUSASA-N	550.520	2.647	5	40	KFBB	in-vitro
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409346567	OZJKSFFXGMTXOD-JGZDWKDESA-N	509.540	2.729	5	40	KFBB	
NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1	8792390	FQADDSDGUMYTAJ-UHFFFAOYSA-N	512.547	2.935	5	40	KFBB	biogenic
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222657794	LFNVRKVLEWKCML-CYBMUJFWSA-N	517.391	2.831	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	1615823198	UNKOSLXVROESEG-GJQBTRETSA-N	500.555	2.986	5	40	KFBB	biogenic
COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083083	FDQOAGWVECXAPT-DEOSSOPVSA-N	518.578	2.598	5	40	KFBB	
O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	33794435	BNRXBIPRADQBLP-UHFFFAOYSA-N	510.551	2.902	5	40	KFBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCCN4CCOCC4)cc3c3ccnc2c31	70708266	OBGRLFMDURTZRO-UHFFFAOYSA-N	530.581	2.826	5	40	KFBB	biogenic
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	101571866	VUPDUJMKQNZZHR-CYEGBWLXSA-N	529.958	2.987	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223264567	KRPPDMQCZGHWMT-QGZVFWFLSA-N	538.598	2.842	5	40	KFBB	
C[C@H](O)[C@]1(Cc2ccc([N+](=O)[O-])cc2)C(=O)[C@@]2(C)C(SC3CN(C4=NCCS4)C3)=C(C(=O)O)C[C@@H]21	1529497786	VQXNMVCVJPPTHN-POTNIYMDSA-N	517.629	2.972	5	40	KFBB	
O=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2	102778355	AZUVBQZTWMLUOV-CVDCTZTESA-N	522.535	2.716	5	40	KFBB	
CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	22860776	ZGEUCQWETFWOBZ-UHFFFAOYSA-N	526.619	2.617	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1	408571739	DWKAUIMYJVVXRK-UHFFFAOYSA-N	532.575	2.634	5	40	KFBB	
O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COc3ccc(OC[C@H](O)CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3)CC2)cc1	6444868	FLCJOSDYUGNSBJ-LOYHVIPDSA-N	636.706	2.627	5	40	KFBB	
CCOCCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102920711	VTPIQFSKASDEIB-WEMUOSSPSA-N	519.514	2.902	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	222885431	FBNUOJFKJIKWMV-INIZCTEOSA-N	538.598	2.841	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1	408731514	NETHMBPALUGPOH-ZRELAVNMSA-N	509.540	2.920	5	40	KFBB	
O=c1oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc2c2ccc(S(=O)(=O)N3CCN(c4ccccn4)CC3)cc12	97987816	CQWWVQUJOPSCJX-UHFFFAOYSA-N	646.751	2.758	5	40	KFBB	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	12546890	FKKBWSZJSVRUOL-UHFFFAOYSA-N	506.357	2.703	5	40	KFBB	
CCOC(=O)C1CCN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3C[C@@H]4C[C@H](Cn5c4cccc5=O)[C@@H]23)CC1	1547138188	ZRVGFYAEBIZLMQ-GDLBMTQOSA-N	520.586	2.723	5	40	KFBB	
COc1ccc(CCN2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)cc1OC	8972098	PPEQCORZRTZMHZ-ATIYNZHBSA-N	508.531	2.835	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	104044137	UACZHXRJBAQXAZ-HTIQSUCMSA-N	527.331	2.797	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261009250	TWZOOSMKUILCCH-SJORKVTESA-N	538.598	2.841	5	40	KFBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224284034	NXWKHNQRWCFKPT-UHFFFAOYSA-N	588.664	2.770	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)cc1OCC	408941406	VRZFZQOZJCKCCF-YBFHISRDSA-N	569.592	2.741	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224503433	DPANCUSEOSKDLD-FQEVSTJZSA-N	518.636	2.901	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(C)cc1	408832107	PXSOQUFEHRHBCQ-ACEGTKJHSA-N	524.511	2.629	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408883967	WGPAUZMIZULOMW-WLJFKGHSSA-N	524.555	2.745	5	40	KFBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccccc1Cl	1816833	SWMAQAYWIANTIH-FNGUVFISSA-N	513.959	2.986	5	40	KFBB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	13146351	FAGHLKNQDMXWTQ-UHFFFAOYSA-N	504.565	2.867	5	40	KFBB	
Cc1csc2nc(C[N+]3(Cc4cc(=O)n5c(C)csc5n4)CCN(c4ccccn4)CC3)cc(=O)n12	13117938	HEIXBGNQHKTAQZ-UHFFFAOYSA-N	520.664	2.874	5	40	KFBB	
COc1cc(NS(=O)(=O)c2ccc(Nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc(OC)n1	8425478	LQPNKDAYUKKMTH-UHFFFAOYSA-N	521.424	2.763	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1cc(C(F)(F)F)ccc1Cl	408653626	JCIQXHNZGURRIT-LBPRGKRZSA-N	528.827	2.942	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225710900	BJUBLJCPPQQDKM-FQEVSTJZSA-N	520.608	2.701	5	40	KFBB	
COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083298	RORMCUFJFXXIJM-XMMPIXPASA-N	518.578	2.598	5	40	KFBB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248319845	RDMUJVWEBOAMQJ-ZWRJDUBHSA-N	552.808	2.795	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3N[C@]12c1ccccc1	1060137	YUWYXVNKMWKBNT-COIWSGPDSA-N	526.578	2.527	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@H]1c1ccc(OC)cc1	2148654	RVDOJTSPPOLOOA-PZDOZLBDSA-N	539.566	2.819	5	40	KFBB	
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1	20152913	HYQBYYFOLFUGRN-UHFFFAOYSA-N	502.527	2.934	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1	100820948	AQPGONRBNOPMTR-KJMYOLMGSA-N	531.525	2.963	5	40	KFBB	
CCOC(=O)C1=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	150495833	DKJQHUJQZRCWJT-PLJYQOKSSA-N	634.648	2.625	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1ccc(O)c(OCC)c1	408731532	NLRZLLMOJLRQTO-AFHVAHMMSA-N	509.540	2.920	5	40	KFBB	
O=C(CCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccc2c(c1)OCO2	20152680	UXXAVTPEMPOSDU-UHFFFAOYSA-N	502.483	2.555	5	40	KFBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O)N1CCCC1	408552330	RQOMBBQZXAULLO-WUXMJOGZSA-N	503.274	2.564	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(OC)c(OC)cc4[N+](=O)[O-])c(=O)n32)cc1OCC	408941401	VRZFZQOZJCKCCF-PCZPJENVSA-N	569.592	2.741	5	40	KFBB	
CCOc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c([N+](=O)[O-])c1	12529172	VZDLZZXTZJRLAK-UHFFFAOYSA-N	503.489	2.861	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)cc1OC	105497174	OFLOKYPYGCTODX-QJWUKVPRSA-N	569.592	2.741	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O	248147245	UACZHXRJBAQXAZ-LONFEIEESA-N	527.331	2.797	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	163765085	OKQNKYSDYVSINH-RTXJXEIKSA-N	635.392	2.745	5	40	KFBB	
O=C(O)c1ccccc1NS(=O)(=O)c1ccc(NNC(=S)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	97981359	BWQVSICAPKZACJ-UHFFFAOYSA-N	545.555	2.814	5	40	KFBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	101456486	PHSPOQGQVPKFSN-MHZLTWQESA-N	598.678	2.861	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)c2)CC1=O	408653247	FJZOTWZMAIWBGW-KQXJYPEGSA-N	517.494	2.873	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4c(c3)OCO4)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409143674	GNVJQMHUDSNQRG-BJJGPXNVSA-N	507.524	2.744	5	40	KFBB	
CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2ccc3[nH]c4ccc(F)cc4c(=O)c3c2)CC1	585133929	BKDWEAULWYNYFS-UHFFFAOYSA-N	508.575	2.687	5	40	KFBB	
COc1ccc(Cl)cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	33473846	DEFAWTUOZYCANY-UHFFFAOYSA-N	520.011	2.930	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223711465	KLHDOTCXLJYJEO-INIZCTEOSA-N	511.000	2.876	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(OC)cc1	11691244	OCMVSUSTBUTUHH-RHBUKLTISA-N	502.527	2.755	5	40	KFBB	
CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225564205	BRUSBMOLYGQUMJ-MRXNPFEDSA-N	511.000	2.956	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408944444	MMELDQRZZVWGTI-CLRKVHHDSA-N	560.928	2.592	5	40	KFBB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@@H]1C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	100097061	UNKDUKFWLRRKOL-NHCUHLMSSA-N	573.612	2.807	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n32)cc1OCC	408932878	FJIZJIKAUWMJID-YRUATGHUSA-N	509.540	2.724	5	40	KFBB	
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C/C=C/c4ccccc4)C[C@@H]32)C1=O	57140625	GZHCOHGDFOZHSR-DIORSFPNSA-N	503.559	2.828	5	40	KFBB	
CCOC(=O)C1=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	150495838	DKJQHUJQZRCWJT-GTRUEHEQSA-N	634.648	2.625	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224165228	JOCSGQDIEPRFKW-NRFANRHFSA-N	504.609	2.921	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224959463	NBWUNEMSOGRGSD-QFIPXVFZSA-N	548.662	2.992	5	40	KFBB	
CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	59483260	KXQOJEPZRMPGKL-UHFFFAOYSA-N	511.579	2.677	5	40	KFBB	
CC[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224581106	MFXDWOSKOBENCG-QFIPXVFZSA-N	504.609	2.596	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c(C)cc1Br	408662832	PQWIVMOGQHGIRD-CQSZACIVSA-N	533.335	2.649	5	40	KFBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21	409020180	ZRSIVORELXZXBU-JDCXBEBJSA-N	553.593	2.740	5	40	KFBB	
COc1cc(NC(=O)COC(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-]	12542734	IGAWYHLTRFLSLH-KRWDZBQOSA-N	501.517	2.811	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br	408654609	KMICCCWADLUKQJ-OAHLLOKOSA-N	533.335	2.649	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1	408691075	YAWUWKUAAZSOKF-SMYALWGKSA-N	519.510	2.504	5	40	KFBB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	10041278	HSIUNJZIKPFFQW-UHFFFAOYSA-N	513.528	2.833	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224030828	SXPJFTOYQJJOSD-SFHVURJKSA-N	562.645	2.854	5	40	KFBB	
CCN(C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	32910185	GBHYJBBGCLAGKE-UHFFFAOYSA-N	512.573	2.830	5	40	KFBB	
O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105303882	NZLHAEOOBINCGO-UHFFFAOYSA-N	534.982	2.830	5	40	KFBB	
CS(=O)(=O)CC[C@H](C(=O)OCc1ccc(Br)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	409181650	DNHIVFTXPRXPFX-MRXNPFEDSA-N	525.333	2.500	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409388911	XYEJYNCBCYPGEP-SVBPBHIXSA-N	684.563	2.946	5	40	KFBB	
COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	6176827	SMMCEHNIQPRMOX-DHLKQENFSA-N	546.588	2.522	5	40	KFBB	
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCOCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	408630276	QXDUOQSUUGJMCV-UHFFFAOYSA-N	541.026	2.599	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224579993	DRWSCJNOFLJDDK-NRFANRHFSA-N	520.608	2.621	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	409337423	TZBFPVZWLWOUOU-WLJFKGHSSA-N	509.540	2.811	5	40	KFBB	
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	100397674	MXLWQNCWIIZUQT-QWRGUYRKSA-N	534.517	2.899	5	40	KFBB	
CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223132034	BSXSYIXNZCBXDP-GOSISDBHSA-N	526.999	2.576	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261035288	KALDPDSYTVAFGO-IRXDYDNUSA-N	538.598	2.841	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)S(C)(=O)=O	10332266	GFWKEGNHVLVRPB-UHFFFAOYSA-N	524.621	2.873	5	40	KFBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCN(C)CC4)c(=O)n32)cc1	100747375	SHPTVZXXLHJBFU-ABBNRAPFSA-N	591.690	2.855	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260878590	BTJAWAFYGOFQHY-IRXDYDNUSA-N	508.572	2.832	5	40	KFBB	
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6281895	RKZPXMXORNROOW-RCZVLFRGSA-N	530.589	2.822	5	40	KFBB	
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1	408531068	LVIXOVAJBXEUOM-GRSHGNNSSA-N	511.516	2.859	5	40	KFBB	
C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223112150	PFZANAKQOBGLHO-SFHVURJKSA-N	504.609	2.735	5	40	KFBB	
COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083645	WKTLMQBSKNHBLV-XMMPIXPASA-N	518.578	2.598	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C\c4ccc([N+](=O)[O-])cc4)c3=O)=N[C@]12c1ccccc1	33355398	YUWYXVNKMWKBNT-NREWAPBFSA-N	526.578	2.527	5	40	KFBB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	245238556	UNKDUKFWLRRKOL-MZADTFQBSA-N	573.612	2.807	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	222650943	XXOMVRHXGBLNTL-KRWDZBQOSA-N	520.608	2.701	5	40	KFBB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[C@H]21	604405482	ORPMEIKOCMYYBM-HGRMPGJJSA-N	585.573	2.534	5	40	KFBB	biogenic
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc(OC)c1OC	101177086	XEFADFTUHFXNFM-OEIRKEIJSA-N	532.553	2.763	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224413094	CEXMEVJSWGFOQX-UHFFFAOYSA-N	598.700	2.519	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225188202	PJDJUOHLHYETHU-IBGZPJMESA-N	510.572	2.953	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)N1CCN(c2ccccc2)CC1	409197790	OYTRYXYDBASVET-QJOMJCCJSA-N	537.598	2.817	5	40	KFBB	
COc1nccnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	3096990	QHNAIRCPGGCOBU-NYYWCZLTSA-N	514.545	2.721	5	40	KFBB	
COc1ccc(N2C(=O)/C(=C/NNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1OC	38146209	LMUVFRNLRFCXNK-XSFVSMFZSA-N	524.511	2.623	5	40	KFBB	
Cc1c2oc3c(C)ccc(C(=O)NCCN4CCCCC4)c3nc-2c(C(=O)NCCN2CCCCC2)c(N)c1=O	5179276	PCUREEZSFDYAGX-UHFFFAOYSA-N	548.688	2.923	5	40	KFBB	
CC1=C(C(=O)OCCNC(=O)c2cccnc2)[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCNC(=O)c2ccccc2O)=C(C)N1	101913322	GOQXPGJJKHLULM-NDEPHWFRSA-N	629.626	2.877	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224691450	GQJUVDYBTCKGRC-IBGZPJMESA-N	504.609	2.921	5	40	KFBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccc(N2CCOCC2)cc1	408606130	OLRQRJDHBYQMDC-YCRREMRBSA-N	523.502	2.829	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3N[C@]12c1ccccc1	1093954	VNKFZTBMPACPRI-COIWSGPDSA-N	526.578	2.527	5	40	KFBB	
COC(=O)CSc1nnc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1	224062697	PFYQCZUPTZYUCX-UHFFFAOYSA-N	567.627	2.862	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc(C)c1Br	408671471	YFNNTTZKQOPIPM-AWEZNQCLSA-N	533.335	2.649	5	40	KFBB	
O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)[C@@H](/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cccs3)C(=O)N12	72266941	LLRLNYXQHGJJLB-RHWUPRLVSA-N	516.513	2.730	5	40	KFBB	in-vitro
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225691690	WTSLPRJLUSFJAD-IBGZPJMESA-N	504.609	2.654	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260868261	DDLUYEXEPDNBDU-LJQANCHMSA-N	534.635	2.867	5	40	KFBB	
CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1OCC(=O)OC(C)C	409397924	ABJJOQUQKUYWSN-PXNMLYILSA-N	531.474	2.796	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	16009799	JDDQEJKQYDPUEV-IMIIHFCZSA-N	502.458	2.607	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225396864	RZOJEQKEQSVCTB-ZWKOTPCHSA-N	520.608	2.701	5	40	KFBB	
COc1ccc2c(CC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)cc(=O)oc2c1	263589419	JYCBGGJXIFZMBU-GJBCSVNNSA-N	892.920	2.641	5	40	KFBB	
CCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	13527266	NXVSODQINPLUSP-HNNXBMFYSA-N	508.936	2.672	5	40	KFBB	
C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(N)=O)C1	22827284	RNEPDADBILJXDQ-GFCCVEGCSA-N	503.606	2.843	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1cccs1	100649975	GTUIGEYUHVEIJE-PZHBDVNGSA-N	540.623	2.605	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(C(F)(F)F)ccc1Cl	408656384	NMTZTJLGJQTCEN-NSHDSACASA-N	528.827	2.942	5	40	KFBB	
O=C(COC(=O)c1cc2ccccc2oc1=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	3286092	FWNVDTBAJNFIKD-UHFFFAOYSA-N	515.481	2.786	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225188299	CCKLQAHCHVVCPV-IBGZPJMESA-N	510.572	2.953	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041778	VPPVZAJUBQXGQB-AOLPSBPOSA-N	581.603	2.657	5	40	KFBB	
COc1cc(C(=O)O[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)O)ccc1OC(C)=O	409386137	LHJTZWYPVZZXCZ-IZZNHLLZSA-N	654.537	2.937	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4018291	HNMIKOOOFXIEHP-IZLXSDGUSA-N	661.712	2.734	5	40	KFBB	
CC(=O)O[C@H]1CO[C@@H](c2ccccc2[N+](=O)[O-])O[C@@H]1[C@H]1O[C@@H](c2ccccc2[N+](=O)[O-])OC[C@H]1OC(C)=O	4353263	IPGDNDWRRZVKJI-MWIVGIEESA-N	532.458	2.895	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	260713731	DXPMUAQHGINKMO-GOSISDBHSA-N	520.608	2.620	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc(C)c1Br	408652685	GSBZQOVUHNLRJW-HNNXBMFYSA-N	533.335	2.649	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(N5CCOCC5)ccc4[N+](=O)[O-])c(=O)n32)cc1OCC	408951561	UOAWDXPEHZKMRO-HMUDIZEXSA-N	594.646	2.560	5	40	KFBB	
CCOC(=O)COc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(Br)cc1[N+](=O)[O-]	409400324	OKCLBWJGUGSDEJ-AUWJEWJLSA-N	552.290	2.772	5	40	KFBB	
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	100576011	NFOHMOFTRVCENL-LLVKDONJSA-N	539.375	2.894	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409083472	ASVQKOFOWOCCKT-HDFSHUSISA-N	634.759	2.781	5	40	KFBB	
CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	409126525	BYKOYSABNMPOEL-UHFFFAOYSA-N	515.508	2.784	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222706659	KVIABYYMVXWRGV-CYBMUJFWSA-N	517.391	2.831	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224538697	QDNLCFLOSSPWBJ-OAQYLSRUSA-N	534.635	2.949	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408989600	UFFDASVCIRCCLN-JUTHHCEFSA-N	569.592	2.828	5	40	KFBB	
CCOC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc(C(=O)OC)c1C	112231213	OZDUXJKUUYHRFD-UHFFFAOYSA-N	536.588	2.891	5	40	KFBB	
CCOC(=O)C1=NO[C@H]2COC3(CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)OC[C@@H]12	8762171	SGNQFVXWCDXVOD-DOMZBBRYSA-N	518.401	2.799	5	40	KFBB	
CCOC(=O)C1=C(COC(=O)[C@@H](CC(C)C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NC(=O)N[C@@H]1c1ccco1	102220376	PDJCAYYFHUHFBL-DYESRHJHSA-N	554.512	2.613	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)[C@H](C)Oc1ccccc1	101176787	YDAHDCJBIVWMJI-KJMYOLMGSA-N	504.543	2.757	5	40	KFBB	
O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103074376	CRJGVSYENCCYGS-UHFFFAOYSA-N	518.331	2.718	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222661961	NQZWWBUXWGMSSL-ZDUSSCGKSA-N	547.417	2.840	5	40	KFBB	
CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	224413019	AVJGPBGOOKGFIA-UHFFFAOYSA-N	568.674	2.511	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225405803	TUFGQPWYZCSHBL-JOCHJYFZSA-N	520.608	2.703	5	40	KFBB	
COc1ccc(N(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	408620652	QAYVGYLZNKPECT-UHFFFAOYSA-N	539.570	2.936	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1	408835177	MTGUTNRMBXJGNK-ZMUHTPIZSA-N	524.511	2.629	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C\C=C/c4ccc([N+](=O)[O-])o4)c3=O)=N[C@]12c1ccccc1	100085843	AOODZAXTWUHYTR-YJLFGJGMSA-N	542.577	2.785	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)cc1	224062381	DIQNULHOGSEHHR-SFHVURJKSA-N	562.645	2.854	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3O)c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	409036426	RHGHEKQFQJDARQ-QJWUKVPRSA-N	569.592	2.914	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222758217	CIDXPRWTJJAZGU-ZDUSSCGKSA-N	547.417	2.840	5	40	KFBB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248319843	RDMUJVWEBOAMQJ-VOGVJGKGSA-N	552.808	2.795	5	40	KFBB	
CC(=O)O[C@H]1CO[C@H](c2ccccc2[N+](=O)[O-])O[C@@H]1[C@H]1O[C@@H](c2ccccc2[N+](=O)[O-])OC[C@H]1OC(C)=O	4353261	IPGDNDWRRZVKJI-ZYODCECPSA-N	532.458	2.895	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223708646	JSTGNZQIZXEKTN-HNNXBMFYSA-N	526.999	2.576	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225184002	GBJVLCCEMLZJDW-KRWDZBQOSA-N	508.572	2.834	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccccc1OC	409102199	DCGDXTVNZPQQDW-NTWBUQQASA-N	591.690	2.857	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018317	IFGTUZLXIGAQOL-CLJLJLNGSA-N	691.698	2.537	5	40	KFBB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1	408650048	AHALYLYQLAVHTJ-HNNXBMFYSA-N	533.335	2.595	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260875125	BMEQFHZFLRHACM-ROUUACIJSA-N	550.634	2.710	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225710921	BJUBLJCPPQQDKM-HXUWFJFHSA-N	520.608	2.701	5	40	KFBB	
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	71788456	SNRRZRWIWHSYLU-DQEYMECFSA-N	575.626	2.819	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)N=c3s/c(=C\C=C/c4ccc([N+](=O)[O-])o4)c(=O)n3N[C@]12c1ccccc1	100085840	AOODZAXTWUHYTR-XTJDJLRFSA-N	542.577	2.785	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O	408673158	ZBNMSJOZCPFAQE-QGZVFWFLSA-N	513.503	2.951	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260804256	RFFQNXBVGZQCCC-GOSISDBHSA-N	534.635	2.744	5	40	KFBB	
CCCOc1ccccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n21	409014191	MLTBXLRZNMFKPZ-NLZIUFDSSA-N	553.593	2.827	5	40	KFBB	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c2)CC1	100128485	QOKQNNVLNNUIDM-UHFFFAOYSA-N	558.539	2.930	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224301035	BVPYYTPKFSCVCH-SFHVURJKSA-N	522.599	2.998	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4018290	HNMIKOOOFXIEHP-NSOVKSMOSA-N	661.712	2.734	5	40	KFBB	
O=C(c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c4ccccc34)CC2)c([N+](=O)[O-])c1)N1CCOCC1	98008278	RDXWRFPPDJDURM-UHFFFAOYSA-N	528.562	2.870	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225437524	LHHUZIYHYONKJH-RTBURBONSA-N	504.609	2.735	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222570302	NSNFLFFWECRQMU-XMMPIXPASA-N	572.615	2.895	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223754895	OFKUULPWNYXVJR-INIZCTEOSA-N	511.000	2.876	5	40	KFBB	
CCOC(=O)[C@H](C)Oc1c(OCC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409398209	BXIHNCKKECYRFZ-LWLPBDFMSA-N	531.474	2.796	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224159962	XXXUDBWFNBRGSF-IBGZPJMESA-N	534.635	2.867	5	40	KFBB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224411624	BUZPUDBHQWZHIK-QHCPKHFHSA-N	582.701	2.818	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1	408781581	UPCQYZBJJGQHED-OLROSQPISA-N	513.503	2.560	5	40	KFBB	
CSCC[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccccc1	97982379	SQLOGHBGZYRRGI-HXUWFJFHSA-N	537.616	2.575	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225405842	TUFGQPWYZCSHBL-QFIPXVFZSA-N	520.608	2.703	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	408732072	RMTVZBFNQLBUQQ-VLOXRPPESA-N	509.540	2.920	5	40	KFBB	
COc1cc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)=O	409386134	LHJTZWYPVZZXCZ-FTJBHMTQSA-N	654.537	2.937	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(OCC)cc1	18157760	VXCDUCNEPGWTDC-OLFWJLLRSA-N	504.543	2.921	5	40	KFBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	101455345	GTCYNSPFLUYARN-HHHXNRCGSA-N	598.678	2.942	5	40	KFBB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	408548516	IAVOFHOFANDOES-CXUHLZMHSA-N	537.266	2.844	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1	12601414	CMTTWVDWCZCJJY-LLVKDONJSA-N	518.431	2.563	5	40	KFBB	
COC(=O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1	18276806	UNDHOTWVTLTSNV-LJQANCHMSA-N	506.437	2.854	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225460384	GGCKBWLQZSUZSV-OAHLLOKOSA-N	541.424	2.595	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1	408654658	KSTQRJXHVDLRHX-LBPRGKRZSA-N	525.301	2.585	5	40	KFBB	
CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1OCC(=O)OC	409338176	FHTMUBPIPWVZDR-PLNGDYQASA-N	517.232	2.522	5	40	KFBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCOCC2)c1	224710496	FNDZEPFFUUPBBH-UHFFFAOYSA-N	524.599	2.939	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409348646	RQRAVCAHYNQWPZ-PZDOZLBDSA-N	509.540	2.729	5	40	KFBB	
Cc1c2oc3c(C)ccc(C(=O)OCCN4CCCC4)c3nc-2c(C(=O)OCCN2CCCC2)c(N)c1=O	5179273	UDBHSEJKQGDDEZ-UHFFFAOYSA-N	522.602	2.997	5	40	KFBB	
O=C(Cn1c(=O)n2nc(-c3ccccc3)c(=O)nc2c2ccccc21)N1CCN(c2ccccc2F)CC1	95469512	OMGPLVLJYMRCGU-UHFFFAOYSA-N	510.529	2.559	5	40	KFBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C	409012890	JDDYYDPRQKSKRI-XPCGLTFESA-N	553.593	2.826	5	40	KFBB	
CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2[N+](=O)[O-])CC1	103093383	QFQANGHZFAVQLV-UHFFFAOYSA-N	546.602	2.648	5	40	KFBB	
O=C(OC[C@H](O)COc1ccc(OC[C@@H](O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	104828662	UUJJYOSSRKDQIV-FGZHOGPDSA-N	556.480	2.696	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224334834	SEIZXWCDQXJCGR-IBGZPJMESA-N	541.026	2.966	5	40	KFBB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	642886970	TYHYOKXXWSTGKG-ULNSLHSMSA-N	642.669	2.783	5	40	KFBB	
COc1ccc(CCn2c(=N)c(C(=O)NC[C@H]3CCCO3)cc3c(=O)n4cccc(C)c4nc32)cc1OC	13779340	OKNNYFBGZAFSPA-LJQANCHMSA-N	517.586	2.606	5	40	KFBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1	33354067	WQUMLZMZLMEVCI-UHFFFAOYSA-N	539.375	2.895	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261038817	YJPNKGIZOFKUQF-OALUTQOASA-N	534.635	2.744	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1	9329117	RHFVKFXAIDGYOD-NFFVHWSESA-N	519.514	2.738	5	40	KFBB	
Cc1nc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1I	105313029	DBBNGFPKARTMSU-UHFFFAOYSA-N	527.344	2.866	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cc(OC)ccc1OC	105497676	AWNWIRJSGHSXNB-QJWUKVPRSA-N	569.592	2.741	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409182844	PFJOTWPYCVHDDH-FAUWUSJQSA-N	551.577	2.567	5	40	KFBB	
O=C(OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4921538	MRWCZWASOUTDDT-IPMKNSEASA-N	594.411	2.742	5	40	KFBB	
O=C(CNC(=O)c1ccco1)NCC(=O)OCC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	8861078	CYASBHPGZLDNMK-UHFFFAOYSA-N	515.862	2.906	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222861706	ZXVVIWZNPGRFLA-VWLOTQADSA-N	554.625	2.756	5	40	KFBB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	12542555	KTEQVNADKPVGKL-MASHWEEQSA-N	517.347	2.961	5	40	KFBB	
C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(S(N)(=O)=O)cc1	12590872	QPFZWEGCDFPJBO-CQSZACIVSA-N	504.546	2.534	5	40	KFBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc(Cl)ccc1=O	199404868	HHUORSHEJZHNRC-DEOSSOPVSA-N	538.944	2.907	5	40	KFBB	
C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1C	97971286	AYEDZJUGKUGYOD-GFCCVEGCSA-N	512.435	2.554	5	40	KFBB	
CCOc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)cc(OCC)c1OCC	102264461	NUMHUWPPCZFKAU-UHFFFAOYSA-N	537.591	2.946	5	40	KFBB	
Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12	6443686	HTVRGDOQWTYOKH-DHLKQENFSA-N	530.589	2.822	5	40	KFBB	
CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C)c1cccc([N+](=O)[O-])c1	6546393	XDTTXYROHYTFNH-UHFFFAOYSA-N	527.607	2.888	5	40	KFBB	
COc1cc(NC(=O)COC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-]	12542732	IGAWYHLTRFLSLH-QGZVFWFLSA-N	501.517	2.811	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225269627	CKUKEBHMZGSKQB-FQEVSTJZSA-N	538.598	2.842	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl	103628543	MVKRYJITGDZSJB-MEFGMAGPSA-N	525.905	2.775	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	100820937	MQUAMMNMWHVCPJ-WSVZGAEUSA-N	517.498	2.654	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222861633	ZXVVIWZNPGRFLA-RUZDIDTESA-N	554.625	2.756	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409083473	ASVQKOFOWOCCKT-LAUBZIAYSA-N	634.759	2.781	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	11691236	ZGCDZXXYKMVXSI-XJPPPLFUSA-N	517.498	2.654	5	40	KFBB	
O=C(CCn1c(=O)c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccc2c(c1)OCO2	20152684	MPONDXNWEGHTSY-UHFFFAOYSA-N	502.483	2.555	5	40	KFBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCCN4CCOCC4)cc3c3ccnc2c31	38140761	NQXCIGLNRGUCQV-KRWDZBQOSA-N	530.581	2.825	5	40	KFBB	biogenic
COC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])c(OC)c2)C1=O	106751844	PBYKPUJMTUIAOE-YBEGLDIGSA-N	508.486	2.580	5	40	KFBB	
CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc2ccccc2c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	409177035	BFZIYZUHYZEPHX-FQEVSTJZSA-N	524.507	2.573	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	59418416	UUGDQPHHDWZJDW-ZRELAVNMSA-N	509.540	2.724	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409105661	NUBFUJYEMYCGEG-JJEHFPDLSA-N	526.571	2.622	5	40	KFBB	
CN(c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O	409137220	UVKMENDSWUEKMH-UHFFFAOYSA-N	518.573	2.825	5	40	KFBB	
O=C(O)c1ccc(C(=O)c2c3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c3cc3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c23)cc1	8435187	ZTRXBOZGACKBGU-UHFFFAOYSA-N	606.459	2.636	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C/c4cccc([N+](=O)[O-])c4)c3=O)=N[C@]12c1ccccc1	97952613	VNKFZTBMPACPRI-KQAMPPAFSA-N	526.578	2.527	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222706720	KVIABYYMVXWRGV-ZDUSSCGKSA-N	517.391	2.831	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225408697	VAPKWNITTQKQKU-NRFANRHFSA-N	550.634	2.712	5	40	KFBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccc([N+](=O)[O-])c4O)c(=O)n32)cc1	2139495	SMMOWCXYFPFOHB-JCAJYURWSA-N	509.540	2.809	5	40	KFBB	
O=C(COC(=O)[C@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	29747828	KCNYGPBHCOZNPB-CVEIQFNMSA-N	605.644	2.922	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccccc1OC	409106927	PZRIVERLCVMGPT-XOBACGFXSA-N	550.593	2.749	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccc(N2CCOCC2)cc1	409356301	MCNQKDKSEODGGZ-JMIUGGIZSA-N	512.500	2.835	5	40	KFBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409025394	QPSHWAJGEDQCMH-UHFFFAOYSA-N	538.582	2.863	5	40	KFBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	100982216	IWUMFZSGJQKUIC-MUUNZHRXSA-N	628.704	2.951	5	40	KFBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103071225	GTVYTDYFWCUACB-UHFFFAOYSA-N	555.009	2.911	5	40	KFBB	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(C[C@H]3CO3)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c(SCCO)cc(O)c12	103547403	ZYTAXTPQNBATFV-JULNDMSKSA-O	552.669	2.727	5	40	KFBB	
CCCCn1nn/c(=N\C(=O)c2ccc(OCC)c([N+](=O)[O-])c2)n1C(=O)c1ccc(OCC)c([N+](=O)[O-])c1	97971304	DYWJXFPBIMYIGM-WCWDXBQESA-N	527.494	2.923	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12	1615823200	UNKOSLXVROESEG-SVGYJKRTSA-N	500.555	2.986	5	40	KFBB	biogenic
CC1(C)CN=C(N2CCN(C(=O)[C@H](Cc3ccc(O)c([N+](=O)[O-])c3)N3C(=O)c4ccccc4C3=O)CC2)S1	103551475	IOTWNAHFNULZRI-FQEVSTJZSA-N	537.598	2.533	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222926805	JKLJBHHHHHNJHO-NRFANRHFSA-N	534.635	2.744	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224893495	JLSJAKADYQSGFE-HSZRJFAPSA-N	534.635	2.949	5	40	KFBB	
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	22860773	XYIZGKUISYWOSU-UHFFFAOYSA-N	526.619	2.617	5	40	KFBB	
O=C(CCCCCC(=O)NCCOC(=O)c1ccc([N+](=O)[O-])cc1)NCCOC(=O)c1ccc([N+](=O)[O-])cc1	33354437	VPGZYIUGNQYMOS-UHFFFAOYSA-N	544.517	2.700	5	40	KFBB	
C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224092874	ZZWLGUIVFBUDFC-LJQANCHMSA-N	516.620	2.879	5	40	KFBB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1	59652180	BLOAYEWJNBZSGG-UHFFFAOYSA-N	524.555	2.901	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)NC(=O)N(c5ccccc5)C4=O)[C@@H]3C2)cc1	98008943	FHFLGAJQDLTCKB-RBJSKKJNSA-N	575.603	2.608	5	40	KFBB	
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CCN(S(=O)(=O)c2cccs2)CC1	3213158	CUZRURUNUSZQFN-UHFFFAOYSA-N	542.642	2.985	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)c1	5941917	QNIOTIFPRRPVMV-UHFFFAOYSA-N	590.636	2.986	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1cccs1	6487659	JNTFBQIKYNKUDM-ACEGTKJHSA-N	515.569	2.785	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222710776	VOWWMTFBBAGZET-ZDUSSCGKSA-N	547.417	2.840	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223872217	QKKJYUWDGKNONZ-KRWDZBQOSA-N	508.572	2.752	5	40	KFBB	
O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)OCC(=O)c1c[nH]c2ccccc12	12546679	OBLSUWXOYWJTHK-UHFFFAOYSA-N	512.500	2.986	5	40	KFBB	
CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224748001	GPVUCHNJAQNCIU-QFIPXVFZSA-N	504.609	2.596	5	40	KFBB	
COC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Cl	408531073	LYCFSVIJPOLQCZ-WSVATBPTSA-N	559.944	2.900	5	40	KFBB	
COC(=O)C(=O)[C@@H](C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]c1=O	1627901	CAYVAIDUPQWMTE-CQSZACIVSA-N	541.687	2.825	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224993004	BLPROHNZSJQNLO-QZTJIDSGSA-N	520.608	2.701	5	40	KFBB	
CCCCN(C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1c(N)n(CCC)c(=O)[nH]c1=O	13163481	FJUFIVYZZSWLHI-UHFFFAOYSA-N	513.507	2.687	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	101162326	UQOXAJRQBODDPF-OAGTXPOXSA-N	531.525	2.963	5	40	KFBB	
COC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	106757822	QJUCVORDOGHONH-NVMNQCDNSA-N	501.473	2.830	5	40	KFBB	
CCOCCCn1/c(=N\C(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101215305	VTPIQFSKASDEIB-NFFVHWSESA-N	519.514	2.902	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccccc1	408718820	MPLQKJUYRXQCKG-ZRELAVNMSA-N	509.540	2.724	5	40	KFBB	
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C/C=C/c4ccccc4)C[C@@H]32)C1=O	57140627	GZHCOHGDFOZHSR-DTQLRGHJSA-N	503.559	2.828	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(OC)c(OC)c1	101177088	QOZCZSUZMSAWMY-JJJNVUDDSA-N	532.553	2.763	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-]	103628537	SMDKIKHEVAZIGR-MEFGMAGPSA-N	525.905	2.775	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1	12601416	CMTTWVDWCZCJJY-NSHDSACASA-N	518.431	2.563	5	40	KFBB	
CCOC(=O)CN1C(=O)[C@@]2(OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)c2cc(Br)ccc21	98007807	KFVRYKUKFGPFRR-NRFANRHFSA-N	517.292	2.660	5	40	KFBB	
COc1ccc(N(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	100089000	ORGWTACQWQTINU-UHFFFAOYSA-N	602.691	2.949	5	40	KFBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n21	408969260	KFQCLIWUKKWJNH-MGSPXPDISA-N	613.645	2.758	5	40	KFBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1cccc(I)c1	110142554	QQYXVYWQPAPNPU-UHFFFAOYSA-N	581.436	2.873	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225440283	YJPNKGIZOFKUQF-RBUKOAKNSA-N	534.635	2.744	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409029444	AYUWKQNJTYDPIJ-GGARDQMFSA-N	641.655	2.674	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)cc3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	2059012	OIBOQIKCGGCJPX-ZRELAVNMSA-N	507.524	2.632	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C	108325941	XSNZEWFMBWEIDD-KXBFYZLASA-N	545.492	2.536	5	40	KFBB	
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4O)c(=O)n32)cc1	8400132	SMMOWCXYFPFOHB-PRWBYUBPSA-N	509.540	2.809	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2ccccc2)cc1	408639777	ZCYGLYWCTWHOFM-LJQANCHMSA-N	531.477	2.733	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	101176756	PDJUKEMFHABMEK-QYQHSDTDSA-N	505.487	2.512	5	40	KFBB	
O=C(O)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	71788468	ZAXQJAQQADKISV-KCHLEUMXSA-N	629.670	2.844	5	40	KFBB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2ccccc2)(C(=O)O)N[C@H]3c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1	245284688	UACFPAJHSHRPFJ-WYNJNVBPSA-N	545.504	2.818	5	40	KFBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c2=O)=N1	409032234	LVSWCFBVKNNZLM-FVIVVMBBSA-N	534.594	2.543	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040621	SZRMZULOBNQMKH-KLKBWYFJSA-N	624.672	2.723	5	40	KFBB	
COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)nn23)cc1	9578612	FECGQFDSBFFOKF-UHFFFAOYSA-N	507.532	2.744	5	40	KFBB	
Cc1nc(N(CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c(C)n1N	12523671	KURLUAIWVHFAEK-QMIHWGKISA-N	522.628	2.903	5	40	KFBB	
COc1ccc(N2C(=O)/C(=C/NNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1OC	59874285	XYEPPNLYJKMVIO-XSFVSMFZSA-N	538.538	2.931	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	6487643	SMEIUHFNFXMOQN-SEXPAEGTSA-N	569.592	2.741	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223061729	FMXDYIOAEYBWGG-HNNXBMFYSA-N	571.450	2.685	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225060493	SKHKUYOAXQBCFT-LJQANCHMSA-N	504.609	2.655	5	40	KFBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1	408684162	MWTWYMUQPWTPAM-UHFFFAOYSA-N	519.382	2.948	5	40	KFBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	409028120	KGLSVGHZHPDGRA-UHFFFAOYSA-N	538.582	2.863	5	40	KFBB	
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6281680	RKZPXMXORNROOW-RDGATRHJSA-N	530.589	2.822	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222787125	XGKDQQPSKYKTLX-LJQANCHMSA-N	540.598	2.962	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408834593	VNXFKTKXDPELQD-JAORQVBISA-N	554.537	2.719	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1	9906200	LSXVPMMPLWFASA-UHFFFAOYSA-N	525.562	2.529	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12	1615823199	UNKOSLXVROESEG-RKDUSPMCSA-N	500.555	2.986	5	40	KFBB	biogenic
Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3CCCN3CCOCC3)c(=O)n2c1	16750844	YCKWXXQOSIUOIA-HXUWFJFHSA-N	500.603	2.650	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225438164	RDUUOUFDKUUZGB-QFIPXVFZSA-N	504.609	2.737	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408991301	ZSVUXNITOZNADH-QCHPHUCNSA-N	539.566	2.819	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224956903	QVSIAPDUFGWFCV-HSZRJFAPSA-N	518.636	2.983	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CCC(N)=O)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409359371	OAZHGJLESQTRED-ZKZBLMLZSA-N	573.631	2.845	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	408728716	RXDDEUZJFLAZKG-IMEWXKHHSA-N	509.540	2.724	5	40	KFBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3cccnc3)c2=N)cc1OC	100752446	VAXAEORIMVLGOR-UHFFFAOYSA-N	510.554	2.562	5	40	KFBB	biogenic
COc1ccc(/C=C\C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NC[C@@H]1CCCO1	33525119	HPQSPYJOJJVMIL-DESYSQHQSA-N	504.517	2.500	5	40	KFBB	
O=C1NC(=S)N(c2ccccc2)C(=O)[C@H]1C(c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	100097068	UNKDUKFWLRRKOL-SFTDATJTSA-N	573.612	2.807	5	40	KFBB	
Cc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260860907	BBXMETOXQPJWDA-LJQANCHMSA-N	504.609	2.859	5	40	KFBB	
CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	11758233	ZPOXVWKITWAOHX-UHFFFAOYSA-N	550.553	2.510	5	40	KFBB	
COCCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc21	101075432	XAKIUMFRPHLKLE-UHFFFAOYSA-N	503.378	2.760	5	40	KFBB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	103912466	OIQIFDLYVCUMEC-AUSIDOKSSA-N	531.481	2.701	5	40	KFBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224686208	WGACBEMQIWCDPK-KRWDZBQOSA-N	520.583	2.976	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1OCC	408943766	LZTHKYWDAKHKMA-PKVQIGPHSA-N	594.646	2.560	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(C)cc1	409005548	FDDCLBUGLUKVGM-FCYPAOMHSA-N	561.664	2.767	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409182848	PFJOTWPYCVHDDH-YXFINDDBSA-N	551.577	2.567	5	40	KFBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccncc3)c2=N)cc1OC	100929500	AAGVQEYKOAENGJ-UHFFFAOYSA-N	524.581	2.870	5	40	KFBB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	103912471	OIQIFDLYVCUMEC-XXBNENTESA-N	531.481	2.701	5	40	KFBB	
O=C(c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc(Cl)ccc1=O	199404890	HHUORSHEJZHNRC-XMMPIXPASA-N	538.944	2.907	5	40	KFBB	
O=C1[C@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	104156715	MSILVXJYXSPKRS-VONISOPNSA-N	551.515	2.973	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222566059	JGDRYRSTSLZFNK-XMMPIXPASA-N	542.589	2.886	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222915428	VDAXUAXKSBUURJ-HNNXBMFYSA-N	526.999	2.576	5	40	KFBB	
O=C(OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[nH]c2=O)C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	4921543	MRWCZWASOUTDDT-GBESFXJTSA-N	594.411	2.742	5	40	KFBB	
Cc1cc(C(=O)COC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1	14357923	JTNWSUDRJDWBAO-INIZCTEOSA-N	500.537	2.907	5	40	KFBB	
O=C(COC(=O)CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408684156	OGNPOLHJYNMNAM-CVQXOBEKSA-N	511.490	2.969	5	40	KFBB	
CCOC(=O)C1=NO[C@H]2COC3(CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)OC[C@H]12	8762169	SGNQFVXWCDXVOD-WFASDCNBSA-N	518.401	2.799	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)[C@@H](C)Oc1ccccc1	101176786	YDAHDCJBIVWMJI-PPPCSUNHSA-N	504.543	2.757	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408974500	APEIWFVPSGRBED-VLOXRPPESA-N	539.566	2.819	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225526664	YBFMMQZNASDYOV-SFHVURJKSA-N	520.608	2.620	5	40	KFBB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223179278	JCSYPMZSVLFVKA-LJQANCHMSA-N	511.000	2.876	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224206075	GVDJRRUTGJSQDB-HXUWFJFHSA-N	520.608	2.621	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	225687022	ZQEIBLICFOCRHJ-SFHVURJKSA-N	522.599	2.998	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225506515	LIPLXPSFCDVZLB-SFHVURJKSA-N	520.608	2.620	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)OC)C2=O)o1	409398598	FAGLSNFGXWIPJQ-IXIHQHOXSA-N	552.290	2.770	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1Cl	408663443	YGCKQKRJTFZMIX-LBPRGKRZSA-N	539.726	2.686	5	40	KFBB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	642886968	TYHYOKXXWSTGKG-NHKHRBQYSA-N	642.669	2.783	5	40	KFBB	
CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21	409016631	QYFUEQNRYRAVPU-JDCXBEBJSA-N	553.593	2.740	5	40	KFBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n21	409020182	ZRSIVORELXZXBU-QFVBLGFASA-N	553.593	2.740	5	40	KFBB	
Cc1nn([C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O2)c(O)nc1=O	256695262	MIFXJGYIGLJNNL-QYOOZWMWSA-N	720.560	2.973	5	40	KFBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1	409315261	IEHBVGSVFXGBNX-UHFFFAOYSA-N	524.555	2.901	5	40	KFBB	
CCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	13527262	NXVSODQINPLUSP-OAHLLOKOSA-N	508.936	2.672	5	40	KFBB	
CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1[N+](=O)[O-]	103128468	LIFANODHWSJICS-UHFFFAOYSA-N	560.006	2.622	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409116205	MAFGANYJCRVHIT-LYRGBEMXSA-N	552.609	2.735	5	40	KFBB	
COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1	13138179	CTQLTRLEIQVGAV-UHFFFAOYSA-N	504.565	2.867	5	40	KFBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc([N+](=O)[O-])c1O	409197438	FKNUZMSEJZETKH-XDHOZWIPSA-N	514.516	2.821	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409348044	OMZXTFAQDMFOPY-KIHONOKQSA-N	568.564	2.940	5	40	KFBB	
Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C	260777263	YYRFFUOJJUYLQB-LJQANCHMSA-N	504.609	2.920	5	40	KFBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](NC[C@@H]1COc2ccccc2O1)C(Cl)(Cl)Cl	20813106	IFJDDTPJAAHQFJ-WBMJQRKESA-N	508.746	2.952	5	40	KFBB	
O=[N+]([O-])c1ccc(N=P(c2ccc(N3CCOCC3)cc2N2CCOCC2)(N2CCOCC2)N2CCOCC2)cc1	102935999	IMQAFJGJEJMJEF-UHFFFAOYSA-N	586.630	2.921	5	40	KFBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1cccc(CN2CCOCC2)c1	224710561	CVQINOQXNJVFRQ-UHFFFAOYSA-N	524.599	2.939	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	1902168	HCPGUQAJTUTBJG-VLOXRPPESA-N	509.540	2.724	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225186562	ARGONIDTJWFQGF-KRWDZBQOSA-N	538.598	2.842	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408948392	RJVQZZGMJVFWMW-RWTNITNYSA-N	585.038	2.815	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408677592	AYYBKVKVWCBPSJ-DFOTYWCWSA-N	521.526	2.728	5	40	KFBB	
CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1[N+](=O)[O-]	103124060	OJCKDTWJSYCHBR-UHFFFAOYSA-N	524.861	2.769	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224292421	XKXFZYSBZHGFOM-LJQANCHMSA-N	541.026	2.966	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260868711	DPANCUSEOSKDLD-HXUWFJFHSA-N	518.636	2.901	5	40	KFBB	
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)cc1	15934661	OKNOJLQVOKLYLN-UHFFFAOYSA-N	502.593	2.702	5	40	KFBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2=O)=N1	409037505	CVNOAILKCHUSGP-FVIVVMBBSA-N	534.594	2.543	5	40	KFBB	
CCCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n21	409013553	KSMKVCPKZKPKDT-WLGHQHAYSA-N	583.619	2.836	5	40	KFBB	
Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](CCS(C)(=O)=O)C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)C3=O)cc1[N+](=O)[O-]	409175322	ZHAZEJPBJAYSDH-XMMPIXPASA-N	709.642	2.985	5	40	KFBB	
C[C@H](N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	98007403	LGFPKEPPOVZXMQ-LXNFZLTFSA-N	593.681	2.862	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)c1	138676677	BUHIZNTVOFOUKE-LLVKDONJSA-N	525.301	2.585	5	40	KFBB	
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6281879	RKZPXMXORNROOW-WIOPSUGQSA-N	530.589	2.822	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccccc1	59418571	WHUQVPNDJAKKQO-AFHVAHMMSA-N	509.540	2.724	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	103487925	HNZINZSKDACTJL-KMBIYUNPSA-N	594.646	2.560	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc(N2CCOCC2)cc1	409143728	HJOYHPNCAFTAMK-KQWNVCNZSA-N	553.597	2.943	5	40	KFBB	
CC(=O)O[C@@H]1CO[C@H](c2ccccc2[N+](=O)[O-])O[C@@H]1[C@H]1O[C@H](c2ccccc2[N+](=O)[O-])OC[C@H]1OC(C)=O	4353262	IPGDNDWRRZVKJI-VXAMWORUSA-N	532.458	2.895	5	40	KFBB	
COc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1	102820293	ADBIETPQKJAGQY-UHFFFAOYSA-N	526.571	2.609	5	40	KFBB	
Cc1c(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-]	112246841	BLNOTDQVKCZXEB-QHCPKHFHSA-N	544.611	2.606	5	40	KFBB	
COCCn1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20082783	IHTIGEFPQACZLZ-DEOSSOPVSA-N	518.578	2.598	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224436574	OGTHESZYONJZRP-SFHVURJKSA-N	520.608	2.559	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCN3c4ccc([N+](=O)[O-])cc4C[C@@]4(C(=O)NC(=O)N(Cc5ccccc5)C4=O)[C@@H]3C2)cc1	103027667	VAGGUHDHAWCTHH-SVEHJYQDSA-N	589.630	2.604	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224538645	QDNLCFLOSSPWBJ-NRFANRHFSA-N	534.635	2.949	5	40	KFBB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	16009798	JDDQEJKQYDPUEV-CQAGSAPUSA-N	502.458	2.607	5	40	KFBB	
O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)[C@H](/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cccs3)C(=O)N12	299888484	LLRLNYXQHGJJLB-JVHSWEFMSA-N	516.513	2.730	5	40	KFBB	
Cc1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)ccc(Br)c1Cl	408659377	SGPULZMDLWLIRM-CYBMUJFWSA-N	553.753	2.994	5	40	KFBB	
CCOc1ccc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	11758225	DFIGGPMRIGCYHF-UHFFFAOYSA-N	522.543	2.732	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	16009797	JDDQEJKQYDPUEV-MSZDEVHKSA-N	502.458	2.607	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cc(OC)cc(OC)c3)CC2)c([N+](=O)[O-])c1	408575209	STITZIYVQWDTBA-UHFFFAOYSA-N	502.549	2.626	5	40	KFBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	409012886	JDDYYDPRQKSKRI-MGSPXPDISA-N	553.593	2.826	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223823520	HKVHMGLXADCRNM-INIZCTEOSA-N	541.026	2.966	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225565898	AYYSMFHZVAZLKX-INIZCTEOSA-N	541.026	2.965	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc2c(c1)OCCO2	409197046	UTBIUJVWYGAHGK-MTJSOVHGSA-N	526.527	2.878	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(CN2CCOCC2)cc1)S(C)(=O)=O	224582535	VGOHYXGWNBNVAW-UHFFFAOYSA-N	504.609	2.598	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260962779	LHHUZIYHYONKJH-OALUTQOASA-N	504.609	2.735	5	40	KFBB	
O=c1cc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc2scc(-c3ccccc3)n12	25391139	LPSCPIUWDUAOTC-UHFFFAOYSA-N	511.585	2.838	5	40	KFBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(=O)N1CCOCC1	59652319	FODCJUXLMWFNOO-UHFFFAOYSA-N	524.555	2.901	5	40	KFBB	
COc1ccc2nc(C)c3c(c2c1)C(=O)N(CCC[N+]1([O-])CC[N+]([O-])(CCCN2C(=O)c4c(c5cc(OC)ccc5[n+]([O-])c4C)C2=O)CC1)C3=O	150404357	IOSLCUNTPMXPFC-UHFFFAOYSA-N	698.733	2.971	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(C)cc1	59427881	KRWAOMZVAVTTQH-OFHGOEMBSA-N	507.524	2.744	5	40	KFBB	
O=C(NC(=S)Nc1ncc([N+](=O)[O-])s1)c1ccccc1C(=O)NC(=S)Nc1ncc([N+](=O)[O-])s1	5851935	PQUQHKQNWWVHAA-UHFFFAOYSA-N	538.574	2.670	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	225685884	RBYHKYDXOYOMFC-KRWDZBQOSA-N	538.598	2.698	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224829386	OYSZCSZQOFURIE-MRXNPFEDSA-N	511.000	2.958	5	40	KFBB	
Cc1ccc2nc3c(cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n3CCCN3CCOCC3)c(=O)n2c1	2356519	GIEBUZGMBOANOZ-UHFFFAOYSA-N	528.034	2.646	5	40	KFBB	
COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c1	408646160	TVPDCBLUCHZTEL-MAMHMVEESA-N	501.495	2.897	5	40	KFBB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1	408656353	NKVQTOPOWZYILU-ZDUSSCGKSA-N	553.753	2.994	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c(C)cc1Br	408662830	PQWIVMOGQHGIRD-AWEZNQCLSA-N	533.335	2.649	5	40	KFBB	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCOCCOCCOCCO2	100497953	XRKHTODZPIRIFS-UHFFFAOYSA-N	626.612	2.832	5	40	KFBB	
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCOC(C)C)c2=N)cc1OC	101238137	BRLNHECNPHRQQE-UHFFFAOYSA-N	519.602	2.933	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1	101601999	HIXVBRFUDSGWCL-UIHGZKEASA-N	575.983	2.788	5	40	KFBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224295542	NPAUQGDSPRWZLM-QGZVFWFLSA-N	508.572	2.689	5	40	KFBB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1	100811085	LZPVCIHTKCUPBG-UHFFFAOYSA-N	524.577	2.749	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222824842	RSNUTSJBPYAOFZ-QFIPXVFZSA-N	520.608	2.701	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223751513	XMHPDFQXMLRABP-OAHLLOKOSA-N	526.999	2.576	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225228788	TWZOOSMKUILCCH-IAGOWNOFSA-N	538.598	2.841	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225509137	QBQVEBLCVNRQBF-XMMPIXPASA-N	524.599	2.747	5	40	KFBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2	103059956	CFNRSPPEJQHOPI-MRXNPFEDSA-N	521.935	2.857	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1	408827967	VMCNHCNAHCWUTD-SRKIZSPNSA-N	509.540	2.729	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	2188456	YXLOQUYNXXWBLB-JUTHHCEFSA-N	539.566	2.732	5	40	KFBB	
CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C(=O)OC)c1C	105306575	KHBJRPKUSSGWRH-UHFFFAOYSA-N	536.588	2.891	5	40	KFBB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	103912475	OIQIFDLYVCUMEC-WMZHIEFXSA-N	531.481	2.701	5	40	KFBB	
COc1ccc(Cl)cc1N(CC(=O)NCCCN1CCN(C)CC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	113631994	CGSHINIQRKBRRG-UHFFFAOYSA-N	554.069	2.514	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409162095	RMPIFPXTJUQREW-YLVTVWEBSA-N	568.564	2.940	5	40	KFBB	
O=C(c1ccccc1I)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	9720443	RWZRDTLXJDUZOK-UHFFFAOYSA-N	522.343	2.998	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501007	GBLBBXPOSOEGLN-FFMVHGEESA-N	588.392	2.903	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222630155	DHFMDKLELKFAEY-NRFANRHFSA-N	508.572	2.832	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409105664	NUBFUJYEMYCGEG-OOIVEFLKSA-N	526.571	2.622	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cc(OC)cc(OC)c1	101177079	ABBJISMWYQMFRU-JJJNVUDDSA-N	532.553	2.763	5	40	KFBB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	103010474	UTUQPXRBJXNUDF-UHFFFAOYSA-N	553.037	2.775	5	40	KFBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccccc1I	109646658	IDRNLYOOBZHJCE-UHFFFAOYSA-N	581.436	2.873	5	40	KFBB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	642886969	TYHYOKXXWSTGKG-NLDZOOGBSA-N	642.669	2.783	5	40	KFBB	
COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@H]3CC(=O)N(NC(=O)c4ccccc4[N+](=O)[O-])C3)cc2)c1	408637023	FMRUPFPGEBQBNO-IBGZPJMESA-N	561.503	2.742	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408648529	WPSPKKSLDCFDAL-PWCQDKJGSA-N	516.466	2.796	5	40	KFBB	
Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](CCS(C)(=O)=O)C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)C3=O)cc1[N+](=O)[O-]	409175321	ZHAZEJPBJAYSDH-DEOSSOPVSA-N	709.642	2.985	5	40	KFBB	
COC(=O)CN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O	106745027	SYCDKOKXLTXORK-NVMNQCDNSA-N	522.513	2.889	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(F)cc1	100649987	ARTJIWSWYFZYNC-DLBLZJNESA-N	552.584	2.682	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409143950	XAQWAGGCVIEVCH-WYWXSHKMSA-N	538.538	2.932	5	40	KFBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	101455348	GTCYNSPFLUYARN-MHZLTWQESA-N	598.678	2.942	5	40	KFBB	
CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc2c1CC[C@@H](C)C2	1917172	GSLPRWDHXWGZPI-GFCCVEGCSA-N	529.527	2.736	5	40	KFBB	
O=c1c2ccc3c(=O)n(-c4cccc([N+](=O)[O-])c4)c(=O)c4ccc(c(=O)n1-c1cccc([N+](=O)[O-])c1)c2c34	3142791	DETMTEXQFPJBPZ-UHFFFAOYSA-N	508.402	2.860	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	2654828	FXMMAAPHNIIOKB-CQSZACIVSA-N	503.489	2.859	5	40	KFBB	
NS(=O)(=O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	6142079	VUMPXWWFFSDGGZ-UHFFFAOYSA-N	500.518	2.730	5	40	KFBB	
CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4cccc(C(F)(F)F)c4)C3=O)[C@@H]2C1	9128774	ASLXUDMFQWJRRL-WMZHIEFXSA-N	517.464	2.950	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225437565	LHHUZIYHYONKJH-RBUKOAKNSA-N	504.609	2.735	5	40	KFBB	
CCOc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	15634900	WSUHMPLFEVPRMK-SFHVURJKSA-N	511.940	2.982	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	225188253	CCKLQAHCHVVCPV-LJQANCHMSA-N	510.572	2.953	5	40	KFBB	
CCc1ccc(O[C@@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)cc1	143125653	NVSMQSIHBXFEJR-AWEZNQCLSA-N	514.564	2.806	5	40	KFBB	
O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1	12640078	XJISPBZLQOKZJM-UHFFFAOYSA-N	511.512	2.843	5	40	KFBB	
CCOC(=O)C1=C(COC(=O)[C@@H](CC(C)C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NC(=O)N[C@H]1c1ccco1	102220380	PDJCAYYFHUHFBL-UTKZUKDTSA-N	554.512	2.613	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)CC1=O	408653249	FJZOTWZMAIWBGW-KTQBVNFSSA-N	517.494	2.873	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(OCC)cc1	408976371	QVVAYKBZKJQHAS-RZXXJPOTSA-N	554.537	2.719	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccccc1	100306013	QTPOAAYVIQCZEF-GOOXQAOHSA-N	534.594	2.543	5	40	KFBB	
C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1	8896688	DQMSRLFSQIMNHA-LBPRGKRZSA-N	503.606	2.843	5	40	KFBB	
Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-]	103013618	RQPJKDPSPHPPCL-UHFFFAOYSA-N	538.995	2.801	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260737259	LSMZHPZGWPKTNG-MRXNPFEDSA-N	541.026	2.965	5	40	KFBB	
O=C(OCC(=O)N1CCc2ccccc2C1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1	12555470	XODWOMMVYUYFTH-UHFFFAOYSA-N	521.979	2.777	5	40	KFBB	
O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	103099872	WUUTVBKRZOOPJX-UHFFFAOYSA-N	545.492	2.749	5	40	KFBB	
O=C(COC(=O)CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1	408684161	OGNPOLHJYNMNAM-TXFWVUOCSA-N	511.490	2.969	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c3)C2=O)o1	409399768	LPMSGKVIISJUEO-IXIHQHOXSA-N	507.839	2.661	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223541127	CRJATDSNSPYSTH-IBGZPJMESA-N	534.635	2.746	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224209183	DASPGDOASCGCTD-OAQYLSRUSA-N	504.609	2.921	5	40	KFBB	
NS(=O)(=O)c1ccc(CCNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1	70708424	PVRILUIPCAVXBW-UHFFFAOYSA-N	526.574	2.977	5	40	KFBB	biogenic
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	101138552	LXAUETWASMBDSM-NFFVHWSESA-N	519.514	2.820	5	40	KFBB	
O=C(CN1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br	16043649	MACZXUWYIYOTGE-MDWZMJQESA-N	509.382	2.914	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223711406	KLHDOTCXLJYJEO-MRXNPFEDSA-N	511.000	2.876	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl	408835596	OJKKSAFRPAOIHK-DDYRAIOVSA-N	544.929	2.974	5	40	KFBB	
Cc1ccc(C(=O)NCCNc2ncnc(NCCNC(=O)c3ccc(C)c(F)c3)c2[N+](=O)[O-])cc1F	32913807	BLWRGQXCOFADSH-UHFFFAOYSA-N	513.505	2.964	5	40	KFBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223179215	JCSYPMZSVLFVKA-IBGZPJMESA-N	511.000	2.876	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	100820936	BWYBOLOGFDYRSZ-DFYKEDFYSA-N	517.498	2.654	5	40	KFBB	
O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc(I)cc1C(=O)O	16450528	VEYCCEZPZREGKW-UHFFFAOYSA-N	501.258	2.790	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1[N+](=O)[O-]	408686672	NLRPXHGAHIGBIZ-NZKJHGSESA-N	503.511	2.803	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408956248	ZFLFRCWCDJUZMY-BFHGZXLWSA-N	515.931	2.684	5	40	KFBB	
Nc1c(N(Cc2ccccc2)C(=O)COc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c(=O)n1Cc1ccccc1	12923455	OSIPLTVIWLWTCC-UHFFFAOYSA-N	501.499	2.688	5	40	KFBB	
CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225684379	JSHMQGUZPWIUDZ-KRWDZBQOSA-N	508.572	2.689	5	40	KFBB	
COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	6176880	SMMCEHNIQPRMOX-RCZVLFRGSA-N	546.588	2.522	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1cc(Cl)c(O)c(OC)c1	101579973	YYTFYGXYAYLOAF-CYEGBWLXSA-N	545.957	2.780	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1ccccc1OC	408727417	RYNQUEOSGWXODM-IMEWXKHHSA-N	509.540	2.724	5	40	KFBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1Cl	1836172	SHHGPJFOVDNMAK-FNGUVFISSA-N	513.959	2.986	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cc(OC)cc(OC)c1	9346394	NZKNTKKYEKDMOT-OLFWJLLRSA-N	520.542	2.539	5	40	KFBB	
O=C(OC[C@@H](O)COc1ccc(OC[C@@H](O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	104828654	UUJJYOSSRKDQIV-SZPZYZBQSA-N	556.480	2.696	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224868661	PRMPELQHBGBODJ-KRWDZBQOSA-N	508.572	2.752	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	68581431	WIYUYDWXDYFMNR-CMFUILSCSA-N	588.529	2.944	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222922891	FQHRSCFBDLQESE-QFIPXVFZSA-N	504.609	2.735	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1	4018292	HNMIKOOOFXIEHP-WUFINQPMSA-N	661.712	2.734	5	40	KFBB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	96022332	NNENMJQTBHICKB-UHFFFAOYSA-N	559.645	2.695	5	40	KFBB	
CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1	112229147	UHRPCBUEOKZILM-UHFFFAOYSA-N	547.037	2.880	5	40	KFBB	
COc1ccc(-c2nnc(CN(C)C(=O)C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)o2)cc1OC	408714373	PQAOOTZBEVHYPV-UHFFFAOYSA-N	545.574	2.721	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1	100533298	BEQOCWKLWCFKJT-JUTHHCEFSA-N	539.566	2.732	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408648534	WPSPKKSLDCFDAL-ZNHHMURHSA-N	516.466	2.796	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409268443	ZUAHMZJAQPUBAZ-HSZRJFAPSA-N	544.611	2.606	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224896551	FVHPZZJZUWCIJN-JOCHJYFZSA-N	564.661	2.958	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	6488910	VIEHOKZRIBLSAW-PZDOZLBDSA-N	509.540	2.724	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408912332	PUKSSYGDOMZRAS-WVWKGNOCSA-N	539.566	2.819	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	102631831	ZRYZKVXYDVUGBQ-OGRZUZBBSA-N	578.647	2.942	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224725625	GAFMBPLDRBKQFB-GOSISDBHSA-N	520.608	2.621	5	40	KFBB	
O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cc(I)c(O)c(I)c1	409306330	ZNOCFFFUWPYONT-UPHRSURJSA-N	527.012	2.881	5	40	KFBB	
C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224092822	ZZWLGUIVFBUDFC-IBGZPJMESA-N	516.620	2.879	5	40	KFBB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C(=O)O)cc4)N[C@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)c([N+](=O)[O-])c1	229978344	UACFPAJHSHRPFJ-AMZZYFJHSA-N	545.504	2.818	5	40	KFBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1	408592232	LWKFXKYHSUKKGZ-VIZOYTHASA-N	553.265	2.764	5	40	KFBB	
COc1cc(/C=C/C(=O)OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)ccc1O	3332303	XEXZLIVPBTWAOO-YCRREMRBSA-N	519.513	2.793	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	100820935	ZGCDZXXYKMVXSI-DFYKEDFYSA-N	517.498	2.654	5	40	KFBB	
O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NCc1ccc2c(c1)OCO2	20152743	KVQNZFODXZCEFH-UHFFFAOYSA-N	516.510	2.945	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)COc1ccccc1	103629179	LEHDCBYZNJWMMP-URSHTZAISA-N	502.527	2.511	5	40	KFBB	
O=C(COC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2	104414491	GSYFBZSUVHQPPL-UHFFFAOYSA-N	546.602	2.706	5	40	KFBB	
Cc1nc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1I	112234474	FRVZLUOIXQQWAM-UHFFFAOYSA-N	527.344	2.866	5	40	KFBB	
O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1	102799135	FTAAMBISDHDZFE-UHFFFAOYSA-N	578.600	2.777	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225028656	PFFTVLUJDBWFOQ-GOSISDBHSA-N	520.608	2.621	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-]	408652232	FZDDPDIOFJJKDL-CYBMUJFWSA-N	509.302	2.885	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)cc(C)c1Br	408652686	GSBZQOVUHNLRJW-OAHLLOKOSA-N	533.335	2.649	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037766	NMJLJYHEMLFJGE-RLFCKUQXSA-N	611.629	2.666	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409089946	NTGWPVSGGYMLAE-XQNWCSQWSA-N	621.716	2.866	5	40	KFBB	
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	12581298	HBWLOARGVIAJDW-UHFFFAOYSA-N	502.549	2.775	5	40	KFBB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1	108928941	UQBXWIWUORPTQY-UHFFFAOYSA-N	541.538	2.516	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260878543	BSUXLYJKAJXZOA-ROUUACIJSA-N	550.634	2.710	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(Cl)cc1	408752966	MPZYSKXYQNCTCS-BYHQVZLYSA-N	529.958	2.987	5	40	KFBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Cl)cc4)c(=N)n(CCCN4CCOCC4)c3nc12	2198125	XGDXVCAFKMFZBI-UHFFFAOYSA-N	528.034	2.646	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018316	IFGTUZLXIGAQOL-IZZNHLLZSA-N	691.698	2.537	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224997977	QJGQGCGJKYYUPZ-GOSISDBHSA-N	520.608	2.621	5	40	KFBB	
COC(=O)[C@](NC(=O)c1ccco1)(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F	2357303	SQSVRVYJBNGBEX-KRWDZBQOSA-N	534.450	2.751	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	108287170	DLTQKQNPSWGBRI-IDQDRXHYSA-N	554.537	2.637	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	108287177	DLTQKQNPSWGBRI-KEBMYNNESA-N	554.537	2.637	5	40	KFBB	
CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	6015066	HLSAOZOCGWFKIZ-QHCPKHFHSA-N	532.561	2.818	5	40	KFBB	
Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12	6443855	HTVRGDOQWTYOKH-RCZVLFRGSA-N	530.589	2.822	5	40	KFBB	
CCOC(=O)/C=c1\s/c(=C/c2cccc(Cl)c2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2	97993908	ZJPPLTKLUANSHO-UAHVXYDKSA-N	502.932	2.559	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225511478	MHVSBRLAWXRRFK-DEOSSOPVSA-N	554.625	2.756	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260756123	FCGAOEJZGBSYDY-QGZVFWFLSA-N	550.634	2.710	5	40	KFBB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1	16942628	YVNUQRRATCYQLF-UHFFFAOYSA-N	521.577	2.649	5	40	KFBB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224411759	VADWUHSSATUUAW-QFIPXVFZSA-N	598.700	2.518	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)Nc1ccc2c(c1)OCO2	409162589	GFDJPYJWOFMDLN-JMIUGGIZSA-N	512.500	2.835	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224764248	XDQZQJGCSQYPQT-IBGZPJMESA-N	504.609	2.921	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	101165413	UACZHXRJBAQXAZ-NSNOHRKYSA-N	527.331	2.797	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)Cc1ccc(OC)cc1	103628643	PQASXVZPTFBJFI-GNVQSUKOSA-N	504.543	2.541	5	40	KFBB	
CSCC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)NCc1ccc(C)cc1	12655564	KWRNBZGSDSXQOC-NRFANRHFSA-N	522.649	2.774	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccccc1OC	409098560	QJYIAUQMASBNNF-PZDOZLBDSA-N	567.580	2.634	5	40	KFBB	
CS(=O)(=O)CC[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409182811	OSJHWHVGPQTHFH-KRWDZBQOSA-N	543.337	2.727	5	40	KFBB	
CC1=C(C(=O)OCCNC(=O)c2ccccc2O)[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCN(C)C)=C(C)N1	102667669	XBHZWOBQSMZSGW-RUZDIDTESA-N	552.584	2.613	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)c(O)c(OC)c1	101602005	HIXVBRFUDSGWCL-DMGNWNAPSA-N	575.983	2.788	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223013238	CFQBBOLSXSEYQO-HNNXBMFYSA-N	571.450	2.685	5	40	KFBB	
COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C(=O)O)cc4)N[C@@](Cc4ccccc4)(C(=O)O)[C@@H]3C2=O)c([N+](=O)[O-])c1	101491883	UACFPAJHSHRPFJ-KKQCDPINSA-N	545.504	2.818	5	40	KFBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	103127687	XMNFHYLPIAANFO-CYBMUJFWSA-N	544.542	2.702	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260877816	GZWIRKDNINNDRS-LJQANCHMSA-N	504.609	2.859	5	40	KFBB	
COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c1	408646158	TVPDCBLUCHZTEL-IFQWMDHTSA-N	501.495	2.897	5	40	KFBB	
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(Sc4ncn[nH]4)c([N+](=O)[O-])c3)CC2)c1	2647448	BFGZGFYYNMGMFK-UHFFFAOYSA-N	502.578	2.628	5	40	KFBB	
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COc3ccc(OC[C@@H](O)CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3)CC2)cc1	35999812	FLCJOSDYUGNSBJ-KYJUHHDHSA-N	636.706	2.627	5	40	KFBB	
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(s/c(=C/c4cccc([N+](=O)[O-])c4)c3=O)=N[C@]12c1ccccc1	97952611	VNKFZTBMPACPRI-UBNMZGFOSA-N	526.578	2.527	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(OC(C)=O)c([N+](=O)[O-])c3)C2=O)o1	409403202	ZFSZVPHTGASJNK-MLPAPPSSSA-N	508.237	2.755	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(OC)cc1OC	98000765	NYXGOQLSMQMXEQ-OLFWJLLRSA-N	520.542	2.621	5	40	KFBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	33761819	PAYFUFIRTVVEAN-LJQANCHMSA-N	514.564	2.717	5	40	KFBB	
CN(CC(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)S(=O)(=O)c1ccc(Cl)cc1	103021762	IGIPMURXOBCQDE-LDADJPATSA-N	538.991	2.721	5	40	KFBB	
COC(=O)[C@@](NC(=O)c1ccco1)(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F	2357304	SQSVRVYJBNGBEX-QGZVFWFLSA-N	534.450	2.751	5	40	KFBB	
CCOC(=O)Cn1/c(=N/C(=O)c2cc3c(ccc4ccccc43)oc2=O)sc2cc(S(N)(=O)=O)ccc21	100877582	GZDWRGUIZRXPMS-RFBIWTDZSA-N	537.575	2.914	5	40	KFBB	
COc1ccc(/C=C\C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NC[C@H]1CCCO1	33525121	HPQSPYJOJJVMIL-SWRMPZFOSA-N	504.517	2.500	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408991303	ZSVUXNITOZNADH-VZIOXZNFSA-N	539.566	2.819	5	40	KFBB	
O=C(NCCCc1nnc2ccccn12)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12	1547138175	DIRDZBCANHOTSU-MWNMUAJNSA-N	539.596	2.713	5	40	KFBB	
CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222881295	SCEINOMOQCUDLV-FQEVSTJZSA-N	524.599	2.996	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260761473	DIQNULHOGSEHHR-GOSISDBHSA-N	562.645	2.854	5	40	KFBB	
CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223176061	WCJGZXZNYSHRDK-SFHVURJKSA-N	526.999	2.576	5	40	KFBB	
CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225684350	JSHMQGUZPWIUDZ-QGZVFWFLSA-N	508.572	2.689	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	408907877	PTKRAHDJBMCMJZ-WVWKGNOCSA-N	569.592	2.828	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cccc(Br)c1	101176696	GQSBZACKRXDAAP-MEFGMAGPSA-N	525.359	2.976	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	408883961	WGPAUZMIZULOMW-VLOXRPPESA-N	524.555	2.745	5	40	KFBB	
NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1	102997751	LDAUICWMQKPESH-UHFFFAOYSA-N	538.991	2.669	5	40	KFBB	
CC[C@@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccc(Br)cc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@H](O)CN2CCCCC2)[C@@H]1O	104156499	FLBNPKVMSCMVDP-NVXCVRIRSA-N	547.558	2.679	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261003347	RZOJEQKEQSVCTB-MSOLQXFVSA-N	520.608	2.701	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409162092	RMPIFPXTJUQREW-KIHONOKQSA-N	568.564	2.940	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223013173	CFQBBOLSXSEYQO-OAHLLOKOSA-N	571.450	2.685	5	40	KFBB	
CCCOC(=O)c1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1	409143466	CCSGKPGKMHDARQ-UHFFFAOYSA-N	512.548	2.951	5	40	KFBB	
CCOC(=O)/C=c1\s/c(=C\c2cccc(Cl)c2)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2	13017497	ZJPPLTKLUANSHO-ZNZOEAELSA-N	502.932	2.559	5	40	KFBB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)c1C	408666838	SVOWBVMCYLVTEF-CQSZACIVSA-N	533.335	2.649	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(OC)c(OC)c1	9501371	WKVFCQBRNGMDFR-OLFWJLLRSA-N	520.542	2.539	5	40	KFBB	
CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223135167	BZMDMQSFKWAYQK-IBGZPJMESA-N	511.000	2.876	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)[C@@H](C)Oc1ccccc1	101177071	ANCNKSZNYANLGB-IMZODVFFSA-N	516.554	2.900	5	40	KFBB	
O=C(Nc1cc(C(=O)NN2C(=O)c3ccccc3C2=O)cc(C(=O)NN2C(=O)c3ccccc3C2=O)c1)c1ccc([N+](=O)[O-])cc1	150354445	ACIZOIHDAAEAIL-UHFFFAOYSA-N	618.518	2.729	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1	408649015	XBAIMBFOZWBHLB-UHFFFAOYSA-N	519.382	2.948	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	408724849	DUWDAWZEUVMJLL-RQLGBQGVSA-N	539.566	2.732	5	40	KFBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(OC)c3OC)c(=O)n21	408969261	KFQCLIWUKKWJNH-XPCGLTFESA-N	613.645	2.758	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260861125	BLPROHNZSJQNLO-ROUUACIJSA-N	520.608	2.701	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(O)cc3O)c(=O)n2[C@@H]1c1ccccc1OC(C)C	408830628	PROJQWOMGAROLK-YLVTVWEBSA-N	539.566	2.905	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408942019	KXDDTWSHGGBKKW-BYHQVZLYSA-N	529.958	2.987	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C/c4cccc([N+](=O)[O-])c4)c3=O)=N[C@@]12c1ccccc1	97952614	VNKFZTBMPACPRI-XPKIUNLXSA-N	526.578	2.527	5	40	KFBB	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCOCCOCCO2	100479848	GQAWJSROGWFFHA-UHFFFAOYSA-N	538.506	2.798	5	40	KFBB	
Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4[N+](=O)[O-])C3)cc2)cc1	408639806	ZTUBCVBTJLPTHQ-LJQANCHMSA-N	581.559	2.590	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039485	RDUUZXPJXASNIO-XQAWFANUSA-N	595.630	2.965	5	40	KFBB	
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1	12428805	GCNKICLPVGUDRU-UHFFFAOYSA-N	513.422	2.817	5	40	KFBB	biogenic
COC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc2c1CC[C@H](C)C2	38145499	XJKJYROVZKIMJI-HNNXBMFYSA-N	536.632	2.513	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c3)C2=O)o1	409399769	LPMSGKVIISJUEO-QOUOVQQFSA-N	507.839	2.661	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224535423	KIQOYPPKMHENAJ-JOCHJYFZSA-N	504.609	2.940	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409388913	XYEJYNCBCYPGEP-SXOMAYOGSA-N	684.563	2.946	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@@H](C)C(=O)O)c([N+](=O)[O-])c3)C2=O)o1	409400309	ODNLEINIBRUITJ-FVNYMESBSA-N	538.263	2.682	5	40	KFBB	
O=[N+]([O-])c1ccc(NS(=O)(=O)c2csc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1	97982966	WGLYYLVKSJUKSS-UHFFFAOYSA-N	575.471	2.949	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223450028	NDWLMJQLCRKFAZ-SFHVURJKSA-N	550.634	2.712	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260817982	WXSFIPNUTNQWJU-GOSISDBHSA-N	532.619	2.846	5	40	KFBB	
O=C(NCc1ccc(Cl)cc1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	12563754	YIHQCPHERUODAC-UHFFFAOYSA-N	523.011	2.802	5	40	KFBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c2=O)=N1	409032496	JDTYDGZNWFBSIO-AFHVAHMMSA-N	509.540	2.724	5	40	KFBB	
COc1ccc(CCNC(=O)COC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1OC	103113236	PKYLHUGRCKEDJS-UHFFFAOYSA-N	570.020	2.568	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n32)cc1OCC	408943761	LZTHKYWDAKHKMA-HMUDIZEXSA-N	594.646	2.560	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408987912	PMRYRPLSQGKLHC-VMOHIOPYSA-N	584.563	2.728	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	261035290	KALDPDSYTVAFGO-SJORKVTESA-N	538.598	2.841	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	408571732	DQVAZQVZGZYHQF-UHFFFAOYSA-N	531.547	2.915	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)c(Cl)c1	408655159	LCEGMCYETVIUIO-GFCCVEGCSA-N	539.726	2.686	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408677597	AYYBKVKVWCBPSJ-XUUBECAPSA-N	521.526	2.728	5	40	KFBB	
O=C(CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCc2ccccc21	3237504	OQSYHLLJWGPIPI-UHFFFAOYSA-N	520.567	2.764	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222634646	NKGKUSBYYRIPQC-HXUWFJFHSA-N	538.598	2.841	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)c1	260902049	OGTHESZYONJZRP-GOSISDBHSA-N	520.608	2.559	5	40	KFBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1	106709287	FDPBNABBSPKASH-MTJSOVHGSA-N	556.553	2.516	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223109852	CLRXAJKBPPJTHZ-DLBZAZTESA-N	508.572	2.832	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018315	IFGTUZLXIGAQOL-FTJBHMTQSA-N	691.698	2.537	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1cccs1	100649974	GTUIGEYUHVEIJE-FBHQFGEZSA-N	540.623	2.605	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1[N+](=O)[O-]	408655748	LZNKGRWVQISLBD-GFCCVEGCSA-N	509.302	2.885	5	40	KFBB	
C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223736133	PGRVPNDKHJKVDC-SFHVURJKSA-N	502.593	2.837	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)CCOc1ccccc1	103629145	OKFZPFQFYWJVQQ-MHAQBYNZSA-N	516.554	2.901	5	40	KFBB	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCOCCO2	100479817	XMOQOCCSHDPHBA-UHFFFAOYSA-N	538.506	2.798	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)[C@H](C)Oc1ccccc1	101177069	ANCNKSZNYANLGB-PNHJUPDTSA-N	516.554	2.900	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223823452	HKVHMGLXADCRNM-MRXNPFEDSA-N	541.026	2.966	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Br)cc1Cl	408666794	SNAYHUNQNMCJTM-NSHDSACASA-N	539.726	2.686	5	40	KFBB	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C(=O)N1c1cccc2ccccc12	98005897	KPVDIQMEAITLNG-VAVYLYDRSA-N	557.563	2.615	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408691076	YAWUWKUAAZSOKF-XUUBECAPSA-N	519.510	2.504	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OCC	408737318	BSQCLZSCYPYGMO-VLOXRPPESA-N	539.566	2.819	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408638547	RRPUGIVYLMKXAD-SFHVURJKSA-N	576.474	2.642	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3O)c(=O)n2[C@@H]1c1ccccc1OC	409106219	MYZDPIFREYPMHP-QCHPHUCNSA-N	552.609	2.735	5	40	KFBB	
CCOC(=O)C1=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	8448552	SBGLTOPCKXAEAI-UAPYWLNTSA-N	634.648	2.625	5	40	KFBB	
Cn1c(N)c(C(=O)CSc2nc3cc([N+](=O)[O-])ccc3n2-c2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O	51103515	MGSYSCCUUFZORA-UHFFFAOYSA-N	534.476	2.907	5	40	KFBB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	19856024	ZYNYWQUDKNVGQD-UHFFFAOYSA-N	512.544	2.805	5	40	KFBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	103127684	XMNFHYLPIAANFO-ZDUSSCGKSA-N	544.542	2.702	5	40	KFBB	
CCCCCN(C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	12903214	IGIRUVYMSMOULR-UHFFFAOYSA-N	521.596	2.686	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224691403	GQJUVDYBTCKGRC-LJQANCHMSA-N	504.609	2.921	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222520465	MPCOVWNBKXPDBA-XMMPIXPASA-N	572.615	2.895	5	40	KFBB	
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1)NC[C@@H]1CCCO1	8855206	UNWCYWRBSBSXGG-QHCPKHFHSA-N	514.538	2.947	5	40	KFBB	
CCCCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	59483262	DWRWEYSVGYSJPM-UHFFFAOYSA-N	511.579	2.677	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224250086	PGVXFNSBIKYILG-HXUWFJFHSA-N	520.608	2.621	5	40	KFBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	408596431	ZBGQRTSVDOVZHC-VIZOYTHASA-N	553.265	2.764	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	103487928	HNZINZSKDACTJL-GVMLUORFSA-N	594.646	2.560	5	40	KFBB	
CC1(C)CN=C(N2CCN(C(=O)[C@@H](Cc3ccc(O)c([N+](=O)[O-])c3)N3C(=O)c4ccccc4C3=O)CC2)S1	103551469	IOTWNAHFNULZRI-HXUWFJFHSA-N	537.598	2.533	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223708596	JSTGNZQIZXEKTN-OAHLLOKOSA-N	526.999	2.576	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224688735	NJVAFTPVVJIWGK-GOSISDBHSA-N	520.608	2.621	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223800487	JMXSKATYCNQNJY-INIZCTEOSA-N	511.000	2.958	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)Cc1ccc(OC)c(OC)c1	103629126	WHMNQGWQZKORFV-WHWHEOOGSA-N	546.580	2.692	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	138102751	JDDQEJKQYDPUEV-BOCITWAFSA-N	502.458	2.607	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409177341	DWJQPLCCVRYFQY-ZNQKWNQWSA-N	524.511	2.629	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1	408655224	LQYOYLHMYKWPKH-HXUWFJFHSA-N	546.536	2.797	5	40	KFBB	
C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	100576012	NFOHMOFTRVCENL-NSHDSACASA-N	539.375	2.894	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409388907	XYEJYNCBCYPGEP-KAYWLYCHSA-N	684.563	2.946	5	40	KFBB	
O=C1[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	101385141	MSILVXJYXSPKRS-KMGQHQDOSA-N	551.515	2.973	5	40	KFBB	
O=C(OC[C@@H](O)COc1ccc(OC[C@H](O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	104828658	UUJJYOSSRKDQIV-VXKWHMMOSA-N	556.480	2.696	5	40	KFBB	
Cc1nc(N(CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c(C)n1N	110545986	KURLUAIWVHFAEK-ADLFWFRXSA-N	522.628	2.903	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc2c(c1)OCO2	101227708	DXSPKPCNYSHWTC-UXCNEVMTSA-N	530.537	2.783	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3O)c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	409036437	RHGHEKQFQJDARQ-ZYDFGXJWSA-N	569.592	2.914	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	2060537	SORSKYVQARPXFP-WLJFKGHSSA-N	507.524	2.632	5	40	KFBB	
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N(CCO)S(=O)(=O)c2ccc(OC)cc2)cc1	59663345	NQPPUYOCEWAJQG-UHFFFAOYSA-N	537.572	2.600	5	40	KFBB	
O=C(OCC(=O)N1CCCCC1)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	102924524	WYEWMRYOYMYVRR-VWLOTQADSA-N	599.666	2.676	5	40	KFBB	
CC[C@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccc(Br)cc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@H](O)CN2CCCCC2)[C@@H]1O	104156504	FLBNPKVMSCMVDP-SXSBDCHGSA-N	547.558	2.679	5	40	KFBB	
CC[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224411483	YXILHHYIAXPTPU-QHCPKHFHSA-N	568.674	2.509	5	40	KFBB	
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	59331708	XFCQCXQEBVPHOG-UHFFFAOYSA-N	526.619	2.617	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1	101579966	YYTFYGXYAYLOAF-ACEGTKJHSA-N	545.957	2.780	5	40	KFBB	
COc1cc2cc(CN(C[C@H]3CCCO3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2cc1OC	918978	STVOESJGQPFJSH-QGZVFWFLSA-N	503.533	2.823	5	40	KFBB	
COc1ccc(C(=O)N[C@@H](CO)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	33379036	CPDZRJRERWGVLX-KRWDZBQOSA-N	520.955	2.580	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409368190	OSHSXXKWGYEAQE-ZNQKWNQWSA-N	508.512	2.923	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409368874	QQLJIFAYXNMSCW-SRKIZSPNSA-N	508.512	2.923	5	40	KFBB	
O=C(NC(=S)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105303799	FABMXCHWQAKBOV-UHFFFAOYSA-N	545.490	2.964	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	8425934	SORSKYVQARPXFP-IMEWXKHHSA-N	507.524	2.632	5	40	KFBB	
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O)N1CCN(c2ccccc2)CC1	409014716	YGAQELAVNOUHMU-WOJGMQOQSA-N	513.488	2.594	5	40	KFBB	
CC[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224581159	MFXDWOSKOBENCG-JOCHJYFZSA-N	504.609	2.596	5	40	KFBB	
O=C(CN1C(=O)c2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	409183902	WFDQHPQWWKFGQU-UHFFFAOYSA-N	575.442	2.565	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@H](C)C(=O)OC)c([N+](=O)[O-])c3)C2=O)o1	409398765	GKKKPHDOYFBMFV-QOUOVQQFSA-N	552.290	2.770	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223040816	NXSAAMVALCBAEM-KRWDZBQOSA-N	520.608	2.701	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc(I)c2O)C1=O)N1CCCCC1	409378956	SUPGFAHAIPXSDH-QPEQYQDCSA-N	517.301	2.954	5	40	KFBB	
CCOC(=O)N1CCN(C(=O)/C(=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])NC(=O)c2ccccc2)CC1	8426503	HOZZZEUANHSRFR-XMHGGMMESA-N	512.519	2.684	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260875122	BMEQFHZFLRHACM-MSOLQXFVSA-N	550.634	2.710	5	40	KFBB	
Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nn12	105306729	VGCOUGAKANSJED-UHFFFAOYSA-N	538.615	2.711	5	40	KFBB	
Cc1nn([C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O2)c(O)nc1=O	256695250	MIFXJGYIGLJNNL-ASDGIDEWSA-N	720.560	2.973	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260962777	LHHUZIYHYONKJH-MOPGFXCFSA-N	504.609	2.735	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3O)c(=O)n2[C@H]1c1ccccc1OC	409106222	MYZDPIFREYPMHP-VZIOXZNFSA-N	552.609	2.735	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(C)cc1	59427879	KRWAOMZVAVTTQH-HSELDNCXSA-N	507.524	2.744	5	40	KFBB	
O=C(O)C1=CCS[C@@H]2[C@H](NC(=O)[C@@H](/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cccs3)C(=O)N12	299888485	LLRLNYXQHGJJLB-OWBXUSSFSA-N	516.513	2.730	5	40	KFBB	
COc1ccc(Cl)cc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1	103123468	JDROTBRFZRVKIP-UHFFFAOYSA-N	552.949	2.922	5	40	KFBB	
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2cccc([N+](=O)[O-])c2)cc1	59652609	BPKSWOAJZRHQER-UHFFFAOYSA-N	574.637	2.758	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)CC1	102917474	XXURUUSXVKGNFI-UHFFFAOYSA-N	533.566	2.749	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)cc1	408827959	VMCNHCNAHCWUTD-PRWBYUBPSA-N	509.540	2.729	5	40	KFBB	
CCOC(=O)C1=NO[C@@H]2COC3(CCN(c4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])CC3)OC[C@H]12	8762170	SGNQFVXWCDXVOD-SWLSCSKDSA-N	518.401	2.799	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	101385158	MSILVXJYXSPKRS-CVRJGYJLSA-N	551.515	2.973	5	40	KFBB	
Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225507809	LRRYLZCZGNILIN-IBGZPJMESA-N	504.609	2.920	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12	618251093	UNKOSLXVROESEG-QDUXBBHCSA-N	500.555	2.986	5	40	KFBB	
COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1	20152916	IIHHIDRDZFTESK-UHFFFAOYSA-N	502.527	2.934	5	40	KFBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	408591210	JBNYKLFLCJEETF-VIZOYTHASA-N	506.265	2.922	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1	408638063	BTBICKKXSLMYRP-UHFFFAOYSA-N	519.382	2.948	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])c(OC)cc4OC)c(=O)n32)cc1OCC	408933443	JQPQOOPTNQOTKU-YBFHISRDSA-N	569.592	2.741	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C	100820947	PIRDNQFXEZMXHH-QITHXXROSA-N	531.525	2.963	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409370727	DPCVZBYMYQWKCR-MRCZTLKWSA-N	508.512	2.923	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3c[nH]c4ccccc34)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	101385148	MSILVXJYXSPKRS-PXMCIRSJSA-N	551.515	2.973	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225228827	TWZOOSMKUILCCH-DLBZAZTESA-N	538.598	2.841	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	261074245	QCFLJUCPDLOZMG-MRXNPFEDSA-N	538.598	2.841	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408948390	RJVQZZGMJVFWMW-MFUBYVTQSA-N	585.038	2.815	5	40	KFBB	
NS(=O)(=O)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	6089033	BBECLNISPGRBMN-UHFFFAOYSA-N	500.518	2.730	5	40	KFBB	
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOc1ccc([N+](=O)[O-])cc1OCCOCCOCCO2	100479148	GPYBLEBQPNBUOG-UHFFFAOYSA-N	538.506	2.798	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224165173	JOCSGQDIEPRFKW-OAQYLSRUSA-N	504.609	2.921	5	40	KFBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2	102754503	HBIUPKDYUWEDAQ-HNNXBMFYSA-N	555.034	2.931	5	40	KFBB	
Cc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1	260737256	LRRYLZCZGNILIN-LJQANCHMSA-N	504.609	2.920	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222828908	MWZLXRAJPZGWPT-OAQYLSRUSA-N	550.634	2.710	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222865701	RRJACAUJJRTYKC-RUZDIDTESA-N	584.651	2.764	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)O	409388910	XYEJYNCBCYPGEP-RRPNLBNLSA-N	684.563	2.946	5	40	KFBB	
CCOC(=O)COc1c(Br)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409399156	ICYGFGWSKLXRPT-AUWJEWJLSA-N	552.290	2.772	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(Cl)cc1	408752967	MPZYSKXYQNCTCS-LYFUXTGPSA-N	529.958	2.987	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032247	MCHCPAXFQRMOIJ-GLSAMTQTSA-N	581.603	2.657	5	40	KFBB	
O=C(c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1	101103872	DCPUMUGOZCARDQ-UHFFFAOYSA-N	529.402	2.885	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222754214	XVCRATKZTOQWFK-ZDUSSCGKSA-N	517.391	2.831	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408991262	ZMKMNFTXNRGIFJ-ZYDFGXJWSA-N	567.576	2.843	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	11691240	MQUAMMNMWHVCPJ-VDVYRTJISA-N	517.498	2.654	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(Br)c3O)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	105501002	GBLBBXPOSOEGLN-RTXJXEIKSA-N	588.392	2.903	5	40	KFBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)c(OC)c1	109023322	CWLSIUGVVZJABA-UHFFFAOYSA-N	594.624	2.826	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222516374	KLVTUQXEWXPVPX-DEOSSOPVSA-N	542.589	2.886	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC	6488906	VIEHOKZRIBLSAW-FNUHDPNESA-N	509.540	2.724	5	40	KFBB	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	9720903	OASUOPZFLOBMBW-UHFFFAOYSA-N	517.442	2.991	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222787041	HHJFATDRQBFCPC-IBGZPJMESA-N	540.598	2.962	5	40	KFBB	
COc1ccc(N2C(=O)/C(=C\NNS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1OC	17576665	LMUVFRNLRFCXNK-ZHZULCJRSA-N	524.511	2.623	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccccc1	100306015	QTPOAAYVIQCZEF-KZVLXBEFSA-N	534.594	2.543	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccccc1OCC	408739580	YACSYLCTYHKANL-GSOQPGDSSA-N	537.550	2.834	5	40	KFBB	
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	96021705	VLAITBVYVFMAFO-VZZQTLFRSA-N	547.467	2.978	5	40	KFBB	
CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224748036	GPVUCHNJAQNCIU-JOCHJYFZSA-N	504.609	2.596	5	40	KFBB	
O=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)-c1ccccc1C2	3310302	AZUVBQZTWMLUOV-XXBNENTESA-N	522.535	2.716	5	40	KFBB	
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-]	21595977	KCWLLXUEQAIXII-UHFFFAOYSA-N	501.565	2.659	5	40	KFBB	
O=C(OCC(=O)N1CCCCC1)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	102924526	WYEWMRYOYMYVRR-RUZDIDTESA-N	599.666	2.676	5	40	KFBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C	260936399	YOOKNUSBJQJRLZ-LJQANCHMSA-N	504.609	2.859	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1ccc(O)c(OCC)c1	408732306	UDQYAFUENZIBLF-ZRELAVNMSA-N	509.540	2.920	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cc(OC)ccc1OC	105497678	AWNWIRJSGHSXNB-ZYDFGXJWSA-N	569.592	2.741	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260813686	SXPJFTOYQJJOSD-GOSISDBHSA-N	562.645	2.854	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1	408677595	AYYBKVKVWCBPSJ-MVIOJFJMSA-N	521.526	2.728	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225028695	PFFTVLUJDBWFOQ-SFHVURJKSA-N	520.608	2.621	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260990101	CLRXAJKBPPJTHZ-IRXDYDNUSA-N	508.572	2.832	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)CC1=O	408653244	FJZOTWZMAIWBGW-ISAJOVNSSA-N	517.494	2.873	5	40	KFBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)N1CCOCC1	409270309	PCBMBVCSMCCLBC-XKZIYDEJSA-N	541.538	2.760	5	40	KFBB	
CN1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2Cl)CC1	22843778	PMSFDONIGHRCRI-UHFFFAOYSA-N	519.027	2.963	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223016765	GKILBMZVHCYRBM-MRXNPFEDSA-N	555.451	2.985	5	40	KFBB	
COc1cccc(C(=O)Oc2ccc(C(=O)COC(=O)[C@@H]3CC(=O)N(NC(=O)c4ccccc4[N+](=O)[O-])C3)cc2)c1	408637024	FMRUPFPGEBQBNO-LJQANCHMSA-N	561.503	2.742	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccccc1OCC	408739582	YACSYLCTYHKANL-YOURIZNBSA-N	537.550	2.834	5	40	KFBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c2=O)=N1	409032233	LVSWCFBVKNNZLM-FOOJEKODSA-N	534.594	2.543	5	40	KFBB	
O=C(COc1ccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br)N1CCOCC1	409385675	JBCAUHHTMBOGRA-UNOMPAQXSA-N	545.346	2.688	5	40	KFBB	
O=c1c2ccc3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c4ccc(c(=O)n1-c1ccccc1[N+](=O)[O-])c2c34	13563399	FOCBRDPCXHXIQX-UHFFFAOYSA-N	508.402	2.860	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	101162329	UQOXAJRQBODDPF-RHBUKLTISA-N	531.525	2.963	5	40	KFBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	108135849	MGXCTAMKKYCWFF-UHFFFAOYSA-N	569.644	2.777	5	40	KFBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3n[nH]c(-c4cc(Br)ccc4O)n3)cc21	408544673	WNKLBYTYIOXIKK-UHFFFAOYSA-N	534.352	2.769	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1OCC	408932876	FIUMDYRJDCYHHR-ZAAFRKLLSA-N	509.540	2.724	5	40	KFBB	
CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222516305	KLVTUQXEWXPVPX-XMMPIXPASA-N	542.589	2.886	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408932304	BZNGBBOSENYNKI-BYUJNSPJSA-N	509.540	2.724	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OC)c(OC)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	101571874	VUPDUJMKQNZZHR-ACEGTKJHSA-N	529.958	2.987	5	40	KFBB	
CCCCN(C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O	103019242	ZJJNIVGRSXYOIC-UHFFFAOYSA-N	585.083	2.570	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260771644	WTSLPRJLUSFJAD-LJQANCHMSA-N	504.609	2.654	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260948076	RBYHKYDXOYOMFC-QGZVFWFLSA-N	538.598	2.698	5	40	KFBB	
CCCOc1ccccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n21	409014193	MLTBXLRZNMFKPZ-WLGHQHAYSA-N	553.593	2.827	5	40	KFBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(=O)c3ccco3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	628972	LKDOFCWIIAOWEA-XMMPIXPASA-N	538.557	2.597	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1	101176790	FVXGISBKEDDZOR-NFFVHWSESA-N	519.514	2.820	5	40	KFBB	
COCCn1c(=N)c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3cccc(C)c3nc21	101161893	IZQHVYWNWXQGCN-UHFFFAOYSA-N	503.378	2.679	5	40	KFBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([N+](=O)[O-])cc1	408682528	JNMCFIIGMDOCCK-UHFFFAOYSA-N	519.382	2.948	5	40	KFBB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O	408549412	SKCHTTRPOPKAJB-LZYBPNLTSA-N	567.292	2.853	5	40	KFBB	
Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(Br)cc4)c(=N)n(CCCN4CCOCC4)c3nc12	6184394	HHRXARLMWVFPGO-UHFFFAOYSA-N	572.485	2.755	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)cc1	260782612	LBVQUSKVRCMVNX-QGZVFWFLSA-N	550.634	2.710	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408991257	ZMKMNFTXNRGIFJ-QJWUKVPRSA-N	567.576	2.843	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223077630	LBVQUSKVRCMVNX-KRWDZBQOSA-N	550.634	2.710	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)O)C2=O)o1	409399931	MCIRFAKNQGZQFS-FVNYMESBSA-N	538.263	2.682	5	40	KFBB	
N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	2234154	WACCYUUOSGOZMP-HNNXBMFYSA-N	515.389	2.903	5	40	KFBB	
CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1	11852984	FFSQVPCYWVZPGG-UHFFFAOYSA-N	540.576	2.548	5	40	KFBB	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)n1	12562344	CJUGABQTQCXASY-UHFFFAOYSA-N	512.548	2.891	5	40	KFBB	
O=C(C1CCN(S(=O)(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1)N1CCc2sccc2C1	24970689	QEBAZUAPTBPOIY-UHFFFAOYSA-N	501.590	2.828	5	40	KFBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2	102754504	HBIUPKDYUWEDAQ-OAHLLOKOSA-N	555.034	2.931	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222918994	IDFIERJHZXJWGU-INIZCTEOSA-N	511.000	2.876	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223016835	GKILBMZVHCYRBM-INIZCTEOSA-N	555.451	2.985	5	40	KFBB	
CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	59331814	OGEQKSGUVYWTPY-UHFFFAOYSA-N	519.027	2.963	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	8452223	CVSHPIYEMUBYQW-KZFLWGQDSA-N	513.528	2.707	5	40	KFBB	
O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	10035335	ALTCKINKDHYADR-UHFFFAOYSA-N	501.590	2.640	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224725673	GAFMBPLDRBKQFB-SFHVURJKSA-N	520.608	2.621	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260910299	XTGNESMSWAWAEN-QGZVFWFLSA-N	508.572	2.750	5	40	KFBB	
COc1ccc(CCNC(=O)c2ccccc2NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1OC	408619111	MDFAWCOFCCJBCP-UHFFFAOYSA-N	586.623	2.998	5	40	KFBB	
COc1c(O)c2c(=O)cc3c4c5c(cc(=O)c6c(O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	4536345	MXLWQNCWIIZUQT-PHIMTYICSA-N	534.517	2.899	5	40	KFBB	biogenic
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)cc1	260800256	OVHOJNSUGOVUPY-GOSISDBHSA-N	532.619	2.846	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409332493	GAJQXSKIAXUFJZ-CNEDASOKSA-N	513.528	2.707	5	40	KFBB	
COc1cc(-c2nnc(COC(=O)CNC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)o2)cc(OC)c1OC	2653532	CUFFVBVEXDMIDK-UHFFFAOYSA-N	506.855	2.797	5	40	KFBB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1[N+](=O)[O-]	103031791	OVNVXIXYMBUZMM-SFHVURJKSA-N	551.021	2.642	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)c1	223043518	FCGAOEJZGBSYDY-KRWDZBQOSA-N	550.634	2.710	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224925389	BHJDMBGKXXAFKR-QHCPKHFHSA-N	534.635	2.949	5	40	KFBB	
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1	3183141	DITGZSYQPALQOF-UHFFFAOYSA-N	522.586	2.921	5	40	KFBB	
CCOC(=O)C(Cl)(Cc1cc(CC(Cl)(C(=O)OCC)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCC	4265811	IOKLYKHMLAEHHE-UHFFFAOYSA-N	581.358	2.796	5	40	KFBB	biogenic
COc1c2c(cc3c1[C@@H]([C@H]1OC(=O)c4c1c([N+](=O)[O-])c(OC)c(OC)c4[N+](=O)[O-])N(C)CC3)OCO2	4805048	GKBIQXFRLNCSPW-KSSFIOAISA-N	503.420	2.698	5	40	KFBB	
COc1ccc(/C=C/C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1	14273746	HTHPSNCQSWXIGZ-RUDMXATFSA-N	511.604	2.677	5	40	KFBB	
CC(=O)Oc1ccc(C(=O)OCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC(C)=O	102930997	GQTTZYRIIXWBOH-UHFFFAOYSA-N	563.522	2.530	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223449974	NDWLMJQLCRKFAZ-GOSISDBHSA-N	550.634	2.712	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)S(C)(=O)=O	409410222	UAYQUBKBBOORBJ-UHFFFAOYSA-N	552.562	2.948	5	40	KFBB	
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1Cl	1816831	SWMAQAYWIANTIH-CNSVBDKNSA-N	513.959	2.986	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)cc1	8443159	YXLOQUYNXXWBLB-NWKGEQBZSA-N	539.566	2.732	5	40	KFBB	
O=C(Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1)NC[C@H]1CCCO1	8855207	UNWCYWRBSBSXGG-HSZRJFAPSA-N	514.538	2.947	5	40	KFBB	
CCOC(=O)C1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2C=C1	33923317	VWLJFKIZDRKISN-XXTHSBEZSA-N	517.494	2.662	5	40	KFBB	biogenic
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(C[C@H]3CO3)[C@@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c(SCCO)cc(O)c12	103547399	ZYTAXTPQNBATFV-LUNJXMNISA-O	552.669	2.727	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222824906	RSNUTSJBPYAOFZ-JOCHJYFZSA-N	520.608	2.701	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222974822	UFJBTNZXRJJIIY-GOSISDBHSA-N	520.608	2.703	5	40	KFBB	
COC(=O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	408548551	IOFUOKLAAKYKJX-CXUHLZMHSA-N	537.266	2.844	5	40	KFBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	408594540	TZEXRKWDXZGOKH-GIDUJCDVSA-N	506.265	2.922	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(C)cc1	409005550	FDDCLBUGLUKVGM-KDSDTBODSA-N	561.664	2.767	5	40	KFBB	
CS(=O)(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1	105318762	SCTQJAUPVMHKAT-UHFFFAOYSA-N	546.675	2.794	5	40	KFBB	
COc1ccc(N(CC(=O)NCCOc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	224211611	LPJABEKCQIOUSB-UHFFFAOYSA-N	606.679	2.553	5	40	KFBB	
N=c1c(S(=O)(=O)c2ccc(Br)cc2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	2234152	WACCYUUOSGOZMP-OAHLLOKOSA-N	515.389	2.903	5	40	KFBB	
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	106711351	SMRHPHBPAXQHMU-MTJSOVHGSA-N	577.593	2.575	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408974501	APEIWFVPSGRBED-WLJFKGHSSA-N	539.566	2.819	5	40	KFBB	
COCCCn1c(=O)c2cc(Br)c3c(=O)n(CCCOC)c(=O)c4cc(Br)c(c1=O)c2c43	6904382	RLOUYKOZFPGFMR-UHFFFAOYSA-N	568.218	2.664	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409089943	NTGWPVSGGYMLAE-RGFRMHDHSA-N	621.716	2.866	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)cc3Cl)C2)cc1[N+](=O)[O-]	408655750	LZNKGRWVQISLBD-LBPRGKRZSA-N	509.302	2.885	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CCC(N)=O)c4ccccc34)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409359367	OAZHGJLESQTRED-QTQKINJDSA-N	573.631	2.845	5	40	KFBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	33458794	GJMPWRRSBOJJQE-GOSISDBHSA-N	514.564	2.717	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223739124	WXSFIPNUTNQWJU-SFHVURJKSA-N	532.619	2.846	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC2CCCC2)c1	260778687	ILIORDKEHZTYKU-GOSISDBHSA-N	532.619	2.846	5	40	KFBB	
Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(I)c3O)C2=O)cc1	409022510	QWDALRVXJSTVHT-VIZOYTHASA-N	522.255	2.745	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222915361	VDAXUAXKSBUURJ-OAHLLOKOSA-N	526.999	2.576	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224471538	FVJKCBCAOKHWHL-IBGZPJMESA-N	534.635	2.867	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225375898	APVQTMWPUXHWNB-JOCHJYFZSA-N	520.608	2.703	5	40	KFBB	
COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nc(OC)n1	2551573	PINWLINENYZZKY-UHFFFAOYSA-N	552.978	2.983	5	40	KFBB	
CSCC[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccccc1	97982378	SQLOGHBGZYRRGI-FQEVSTJZSA-N	537.616	2.575	5	40	KFBB	
O=C(NCCCN1CCN(CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1)Nc1cccc([N+](=O)[O-])c1	4934237	QPAYFADGJLVFHC-UHFFFAOYSA-N	528.570	2.844	5	40	KFBB	
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(I)cc1C(=O)O	16429255	FODSSHPLCQWWLG-UHFFFAOYSA-N	501.258	2.790	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)cc1OC	105497176	OFLOKYPYGCTODX-ZYDFGXJWSA-N	569.592	2.741	5	40	KFBB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	248319844	RDMUJVWEBOAMQJ-ZSBSYDTGSA-N	552.808	2.795	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260774694	YBFMMQZNASDYOV-GOSISDBHSA-N	520.608	2.620	5	40	KFBB	
O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	103113925	CTTJQCHEQIAPAZ-UHFFFAOYSA-N	535.428	2.569	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3O)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409106092	MIKHYYOBBMZCHC-IZBTWGKQSA-N	582.635	2.743	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)CCOc1ccccc1	103628600	UGIVJRUGJQTJCN-GNVQSUKOSA-N	504.543	2.759	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224331135	YOBKPMZUUFCRRV-HXUWFJFHSA-N	511.000	2.958	5	40	KFBB	
CCOC(=O)[C@H]1[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@]1(O)C(F)(F)F	248319842	RDMUJVWEBOAMQJ-RAZVHJQOSA-N	552.808	2.795	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)c1	408654655	KSTQRJXHVDLRHX-GFCCVEGCSA-N	525.301	2.585	5	40	KFBB	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOc1cc(NC(C)=O)c([N+](=O)[O-])cc1OCCO2	4257043	UXRIKYFEZAYMGY-UHFFFAOYSA-N	520.451	2.665	5	40	KFBB	
COc1ccc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1	12601292	OIRXQUUHUPTSEO-UHFFFAOYSA-N	511.940	2.839	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(I)cc1)S(C)(=O)=O	108066782	PYSMMESKLJQBET-UHFFFAOYSA-N	505.290	2.613	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222754154	XVCRATKZTOQWFK-CYBMUJFWSA-N	517.391	2.831	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260964257	ZQEIBLICFOCRHJ-GOSISDBHSA-N	522.599	2.998	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC	408935192	MWYNROTWCCERBA-TYBHGIAWSA-N	539.566	2.732	5	40	KFBB	
CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	14274386	KURCKVRHURJWLO-UHFFFAOYSA-N	505.578	2.537	5	40	KFBB	
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	33704916	JGTSJNORUYQRQV-LJQANCHMSA-N	514.564	2.717	5	40	KFBB	
CCOC(=O)C1=C(COC(=O)[C@H](CC(C)C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NC(=O)N[C@@H]1c1ccco1	102220384	PDJCAYYFHUHFBL-LAUBAEHRSA-N	554.512	2.613	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223260649	BZYCIDSFFKDIEW-QGZVFWFLSA-N	508.572	2.834	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225378161	GOPNVDPVMQEKOZ-NRFANRHFSA-N	550.634	2.712	5	40	KFBB	
O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COc3ccc(OC[C@H](O)CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3)CC2)cc1	6444865	FLCJOSDYUGNSBJ-RNPORBBMSA-N	636.706	2.627	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccccc1Br	101176697	LOVSYOCCLSLMOB-MEFGMAGPSA-N	525.359	2.976	5	40	KFBB	
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1	103086432	PHTADUKBCUKYRI-UHFFFAOYSA-N	548.603	2.701	5	40	KFBB	
COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	106185715	DRHXBQDEQUQLSC-UHFFFAOYSA-N	604.663	2.767	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	261035776	XXOMVRHXGBLNTL-QGZVFWFLSA-N	520.608	2.701	5	40	KFBB	
COc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)c([N+](=O)[O-])c1	12312000	DRMDFOPYRUFBBV-UHFFFAOYSA-N	507.502	2.967	5	40	KFBB	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O	14183322	MSFTXCWPMYDUNK-MFOYZWKCSA-N	514.903	2.697	5	40	KFBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	150487632	MAPOAFKWJMAXMB-UHFFFAOYSA-N	696.720	2.826	5	40	KFBB	
O=[N+]([O-])c1ccc2c(c1)O[Sn](I)(I)O2	196000612	IDACIYXDBORBPF-UHFFFAOYSA-J	525.612	2.672	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040840	UVPHLJJTFNSRBH-GGARDQMFSA-N	641.655	2.674	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	224662661	XTGNESMSWAWAEN-KRWDZBQOSA-N	508.572	2.750	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(OC)ccc1OC	408725678	IMTVABTYUOTFBG-PZDOZLBDSA-N	509.540	2.724	5	40	KFBB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1	10041072	OOKLYQHIEZDCRJ-UHFFFAOYSA-N	513.528	2.833	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224288823	WCSNMPBYMSJVHI-HXUWFJFHSA-N	511.000	2.958	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224998017	QJGQGCGJKYYUPZ-SFHVURJKSA-N	520.608	2.621	5	40	KFBB	
Cc1ccccc1CN(C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C	225488575	YYRFFUOJJUYLQB-IBGZPJMESA-N	504.609	2.920	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408686670	NLRPXHGAHIGBIZ-CYELZPNWSA-N	503.511	2.803	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260804834	QEDGJMMEQIRUBO-LJQANCHMSA-N	546.646	2.888	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1	102548908	LOAOKLPCDMXHOV-ZXPTYKNPSA-N	564.595	2.938	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	408725676	IMTVABTYUOTFBG-FNUHDPNESA-N	509.540	2.724	5	40	KFBB	
Cn1nnnc1Sc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-]	2625003	HRWNLURXGRCXJA-UHFFFAOYSA-N	518.562	2.779	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1OC	59418417	UUGDQPHHDWZJDW-AFHVAHMMSA-N	509.540	2.724	5	40	KFBB	
O=C(O)c1ccc(C(=O)c2c3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c3cc3c(=O)n(-c4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1	100055341	OZABTFWOAAAYPB-UHFFFAOYSA-N	606.459	2.636	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224501183	SPFFWISKHLPQPN-IBGZPJMESA-N	534.635	2.601	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1	408781585	UPCQYZBJJGQHED-ZMUHTPIZSA-N	513.503	2.560	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225487282	KYYURYDTTDEFNA-SFHVURJKSA-N	520.608	2.620	5	40	KFBB	
CC1CCN(C(=O)COC(=O)[C@@H](Cc2c[nH]c3ccccc23)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	102925338	FTXIWDBIYZYBLB-AREMUKBSSA-N	613.693	2.922	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(F)cc1	103784780	YCJAQKKKMKBMDQ-VMOHIOPYSA-N	527.530	2.863	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(C)(=O)=O	113622336	BDHGOZLOBQPOHC-UHFFFAOYSA-N	525.590	2.565	5	40	KFBB	
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	3220141	LAAGDZQIKAPMKO-UHFFFAOYSA-N	532.556	2.535	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(OC)cc1OC	38139213	POUCTFMCIYADGA-UXCNEVMTSA-N	532.553	2.763	5	40	KFBB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1	103096100	ZFJYLKCISWSLCC-UHFFFAOYSA-N	556.553	2.939	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223057556	FQTAMHFRFDKVQS-HNNXBMFYSA-N	541.424	2.677	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409050624	XWXWHEDFUKVDJV-AXADVEHHSA-N	723.498	2.967	5	40	KFBB	
O=c1oc2cc(S(=O)(=O)NCc3cccnc3)ccc2c2ccc(S(=O)(=O)NCc3cccnc3)cc12	102415330	CFOXFPXIRSSJBS-UHFFFAOYSA-N	536.591	2.693	5	40	KFBB	
O=C1[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	16009800	JDDQEJKQYDPUEV-ZUVQJFRASA-N	502.458	2.607	5	40	KFBB	
CCOc1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCC(=O)N1CCOCC1	95946514	DVFVBOKUEQWJIS-UHFFFAOYSA-N	521.910	2.680	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225186518	ARGONIDTJWFQGF-QGZVFWFLSA-N	538.598	2.842	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225440246	YJPNKGIZOFKUQF-RTBURBONSA-N	534.635	2.744	5	40	KFBB	
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1S(=O)(=O)N1CCCCC1	12528049	FEBHZTPJRGGVRM-UHFFFAOYSA-N	504.565	2.867	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224794375	LBTLGPRXNJXEOU-MRXNPFEDSA-N	511.000	2.958	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408912328	PUKSSYGDOMZRAS-IMEWXKHHSA-N	539.566	2.819	5	40	KFBB	
C[C@H](N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	98007405	LGFPKEPPOVZXMQ-DGJHXPQASA-N	593.681	2.862	5	40	KFBB	
Cc1sc2ncnc(N3CCC(C(=O)N4CCN(S(=O)(=O)c5cccc([N+](=O)[O-])c5)CC4)CC3)c2c1C	102911165	SCWDQKFONHZOTQ-UHFFFAOYSA-N	544.659	2.966	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)CC2)cc1	408715107	PWMPQLDAUWSSAD-UHFFFAOYSA-N	558.638	2.632	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	101035837	VGYSZWVLKAUQPP-NFFVHWSESA-N	519.514	2.820	5	40	KFBB	
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)CC2)cc1[N+](=O)[O-]	103031788	OVNVXIXYMBUZMM-GOSISDBHSA-N	551.021	2.642	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224728318	QIYBDBHNRDKATA-IBGZPJMESA-N	504.609	2.921	5	40	KFBB	
C[C@@H](N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C1=O)C12CC3CC(CC(C3)C1)C2	98007402	LGFPKEPPOVZXMQ-FKQNGXSZSA-N	593.681	2.862	5	40	KFBB	
COc1cc(C(=O)N[C@@H](CCSC)C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1OC	101378050	LCVLURFDIYGCJN-INIZCTEOSA-N	539.538	2.793	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225089417	YZIPDUWUYAFBEO-FQEVSTJZSA-N	520.608	2.703	5	40	KFBB	
O=[N+]([O-])c1ccc(CN2CCOCCOCCN(Cc3ccc([N+](=O)[O-])cc3)CCOCCOCC2)cc1	55124443	OZUVFJQSSKWTQU-UHFFFAOYSA-N	532.594	2.887	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222520531	MPCOVWNBKXPDBA-DEOSSOPVSA-N	572.615	2.895	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC	408944443	MMELDQRZZVWGTI-CJIFTPGHSA-N	560.928	2.592	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	103628546	TZPBXQOHNTXNLO-MEFGMAGPSA-N	525.905	2.775	5	40	KFBB	
Cc1cc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)n2C[C@@H]2CCCO2)n(C)n1	102006105	ALSKVSQQIJMZIS-KRWDZBQOSA-N	530.567	2.945	5	40	KFBB	
CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	409023918	FHECKQHZVVZCHX-UHFFFAOYSA-N	519.576	2.909	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409141128	MCIUCNRGGQGSMS-HMEHKCSNSA-N	552.521	2.652	5	40	KFBB	
Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	32991114	GNKCXJPVBQOXCS-UHFFFAOYSA-N	500.533	2.925	5	40	KFBB	
CN(CC(=O)NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)S(=O)(=O)c1ccc(Cl)cc1	103021763	IGIPMURXOBCQDE-PDGQHHTCSA-N	538.991	2.721	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224925428	BHJDMBGKXXAFKR-HSZRJFAPSA-N	534.635	2.949	5	40	KFBB	
CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224959507	NBWUNEMSOGRGSD-JOCHJYFZSA-N	548.662	2.992	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408691074	YAWUWKUAAZSOKF-MVIOJFJMSA-N	519.510	2.504	5	40	KFBB	
COc1ccc(N(CC(=O)Nc2ccc(C(N)=O)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	20461216	VMIHQXWNJGCTNZ-UHFFFAOYSA-N	514.516	2.545	5	40	KFBB	
Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nn12	112231640	XCHRRROEXUAULT-UHFFFAOYSA-N	538.615	2.711	5	40	KFBB	
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	71788453	QFSQXEZZCBIDKW-SPEDKVCISA-N	527.578	2.884	5	40	KFBB	
CC(C)(C)C(=O)/C=c1\s/c(=C/c2ccc3c(c2)OCCO3)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2	102959146	HIVZIPTZMGQYBR-KJPRXGBQSA-N	538.578	2.729	5	40	KFBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223736193	PGRVPNDKHJKVDC-GOSISDBHSA-N	502.593	2.837	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C\c4cccc([N+](=O)[O-])c4)c3=O)=N[C@@]12c1ccccc1	102688466	VNKFZTBMPACPRI-LUXHZTLPSA-N	526.578	2.527	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	163765216	OKQNKYSDYVSINH-FFMVHGEESA-N	635.392	2.745	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224541395	CGORJYKCWOLJBF-NRFANRHFSA-N	520.608	2.621	5	40	KFBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224068509	AKDBANRAMJCKCQ-INIZCTEOSA-N	508.572	2.832	5	40	KFBB	
C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)oc(=O)c2cc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)ccc23)C[C@@H](C)O1	59608060	JNHBVTAYNIZUBV-TVFCKZIOSA-N	550.655	2.542	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	101176755	DBDKBFJCCGHJDJ-QYQHSDTDSA-N	505.487	2.512	5	40	KFBB	
O=C(COc1ccc(Cl)cc1Cl)NC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	169683665	WSLIXNUYFJKJIW-GXJJEBCYSA-N	518.309	2.910	5	40	KFBB	
COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409331290	NUISVGQSLUXYQN-VMPITWQZSA-N	504.433	2.959	5	40	KFBB	
O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O	408587930	APVGJIHAAPDHHU-OVCLIPMQSA-N	523.239	2.756	5	40	KFBB	
C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C(N)=O)C1	8896679	DQMSRLFSQIMNHA-GFCCVEGCSA-N	503.606	2.843	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409368189	OSHSXXKWGYEAQE-MRCZTLKWSA-N	508.512	2.923	5	40	KFBB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1	19856530	TXZNZAUDYXAULR-UHFFFAOYSA-N	512.544	2.805	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409348049	OMZXTFAQDMFOPY-YLVTVWEBSA-N	568.564	2.940	5	40	KFBB	
O=C(OC[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O)c1ccccc1	96077819	CTPGKZRJMUOBTP-FRUIXIINSA-N	509.467	2.503	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223872168	QKKJYUWDGKNONZ-QGZVFWFLSA-N	508.572	2.752	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225396827	RZOJEQKEQSVCTB-QZTJIDSGSA-N	520.608	2.701	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc(N5CCOCC5)ccc4[N+](=O)[O-])c(=O)n32)cc1OCC	408951563	UOAWDXPEHZKMRO-PKVQIGPHSA-N	594.646	2.560	5	40	KFBB	
COc1ccc(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	6163666	GQDSQVGXTOEBOT-QFIPXVFZSA-N	503.467	2.993	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224469699	AZPYXRGAZITDCU-SFHVURJKSA-N	550.634	2.568	5	40	KFBB	
O=C(O)c1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	3142993	ZVIRSIQVRXOGGL-UHFFFAOYSA-N	502.351	2.802	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225183963	GBJVLCCEMLZJDW-QGZVFWFLSA-N	508.572	2.834	5	40	KFBB	
CN(c1cccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1)S(C)(=O)=O	409119370	UBPQZBYXTQXWLI-UHFFFAOYSA-N	518.573	2.825	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	101096727	VRNZHFLSLOVXDA-RHBUKLTISA-N	531.525	2.963	5	40	KFBB	
O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103076699	VKLYQQXXEYOLBI-UHFFFAOYSA-N	518.331	2.718	5	40	KFBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccc(I)cc1	105542176	YJPCDQLQHKRJPU-UHFFFAOYSA-N	581.436	2.873	5	40	KFBB	
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	57328300	QXCXZMUBCYAZJT-UHFFFAOYSA-N	513.576	2.945	5	40	KFBB	
CC(C)C(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1	105316354	FRPURRITPCAIQH-UHFFFAOYSA-N	540.646	2.863	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224094255	QJXBHUDRPVFUDX-SFHVURJKSA-N	520.608	2.559	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260704537	AYYSMFHZVAZLKX-MRXNPFEDSA-N	541.026	2.965	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	408648531	WPSPKKSLDCFDAL-UCHKQQSZSA-N	516.466	2.796	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260952002	FODGUULROMDNMZ-QGZVFWFLSA-N	550.609	2.985	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C	95600002	XSNZEWFMBWEIDD-HNAYVOBHSA-N	545.492	2.536	5	40	KFBB	
O=C1[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2	101385152	MSILVXJYXSPKRS-XOSJJEKJSA-N	551.515	2.973	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	260861121	BLPROHNZSJQNLO-MSOLQXFVSA-N	520.608	2.701	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@@H]1c1cccc(OC)c1OCC	8452222	CVSHPIYEMUBYQW-KEWOFRHOSA-N	513.528	2.707	5	40	KFBB	
O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O	408593096	OZWRAGKUHKUKHF-OVCLIPMQSA-N	523.239	2.756	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260865977	CYQYCOJOYHNHIZ-GOSISDBHSA-N	520.608	2.559	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)c1	408655183	LHVIBJGUSRXZJF-INIZCTEOSA-N	512.519	2.576	5	40	KFBB	
O=[N+]([O-])c1c(O)nc(/C=C\c2cc(I)c(O)c(I)c2)nc1O	409352051	VWJHXPYHHBOWCB-UPHRSURJSA-N	527.012	2.881	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(F)cc1	59600253	JJAHHLBDHXOTHP-WQLLJXGDSA-N	511.487	2.574	5	40	KFBB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	138904288	CBIJTTHOPRBYAB-AWEZNQCLSA-N	533.335	2.595	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)Cc1ccc(OC)cc1	103629186	KQIFJIDDTYFYAW-MHAQBYNZSA-N	516.554	2.684	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)c1	225659920	YBLVFOYCXFXZAO-SFHVURJKSA-N	520.608	2.620	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408942024	KXDDTWSHGGBKKW-LYFUXTGPSA-N	529.958	2.987	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409098692	OSTYIOWPELZJMS-FLWFWKMMSA-N	580.619	2.758	5	40	KFBB	
O=[N+]([O-])c1ccccc1CN1CCOCCOCCN(Cc2ccccc2[N+](=O)[O-])CCOCCOCC1	16449575	QROHHPRMYNVAPH-UHFFFAOYSA-N	532.594	2.887	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)COc1ccccc1	103629175	LEHDCBYZNJWMMP-WIHWPTRJSA-N	502.527	2.511	5	40	KFBB	
CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NO[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	103912479	OIQIFDLYVCUMEC-CVDCTZTESA-N	531.481	2.701	5	40	KFBB	
CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1	11758234	SSACDEMTWIUAQM-UHFFFAOYSA-N	520.527	2.536	5	40	KFBB	
CC(C)(C)C(=O)/C=c1\s/c(=C\c2ccc3c(c2)OCCO3)c(=O)n1Cc1cc([N+](=O)[O-])cc2c1OCOC2	97982266	HIVZIPTZMGQYBR-IKCKOHNRSA-N	538.578	2.729	5	40	KFBB	
COc1c(C[C@@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43	100074424	DGAZLNHJYDOWLG-GHMZBOCLSA-N	534.517	2.899	5	40	KFBB	biogenic
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)n1	139709003	VBDGHORVHYCVLN-UHFFFAOYSA-N	548.603	2.516	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224896511	FVHPZZJZUWCIJN-QFIPXVFZSA-N	564.661	2.958	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3OC(C)=O)C2=O)o1	409400869	RLSNCVKNCUMSHG-MLPAPPSSSA-N	508.237	2.755	5	40	KFBB	
COc1ccc(Cn2cc(Br)c(=O)n(Cc3ccc(OC)c([N+](=O)[O-])c3)c2=O)cc1[N+](=O)[O-]	2317114	ADTZNIXMKXVFCL-UHFFFAOYSA-N	521.280	2.703	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)COc1ccc(Cl)cc1	31937350	RMFSHKOQPDQSRW-NFFVHWSESA-N	510.934	2.632	5	40	KFBB	
CCOC(=O)/C=c1\s/c(=C\c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c(=O)n1CC(=O)Nc1cccc(Br)c1	150461005	WLBCIYAQKTWAFS-NOGZTDIOSA-N	645.517	2.671	5	40	KFBB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)C(C)C)c1	102778564	REQPDWOVCWIYDA-QFIPXVFZSA-N	549.602	2.990	5	40	KFBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224068563	AKDBANRAMJCKCQ-MRXNPFEDSA-N	508.572	2.832	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225460424	GGCKBWLQZSUZSV-HNNXBMFYSA-N	541.424	2.595	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n32)cc1OCC	408932305	BZNGBBOSENYNKI-ZAAFRKLLSA-N	509.540	2.724	5	40	KFBB	
CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O	32991119	KVQMVRLBTFVAMP-OALUTQOASA-N	514.604	2.994	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	222833959	QZGMMFYSULQAPG-IBGZPJMESA-N	540.598	2.962	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	260756115	FBNUOJFKJIKWMV-MRXNPFEDSA-N	538.598	2.841	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222833743	GTZLLCGMTBHEHK-LJQANCHMSA-N	540.598	2.962	5	40	KFBB	
CN(C)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-]	103124036	QASPJAASZOBPLI-UHFFFAOYSA-N	538.888	2.793	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)c1	260774698	YBLVFOYCXFXZAO-GOSISDBHSA-N	520.608	2.620	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224288875	WCSNMPBYMSJVHI-FQEVSTJZSA-N	511.000	2.958	5	40	KFBB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	408651419	AXUNWNJFNAQBJU-LBPRGKRZSA-N	553.753	2.994	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC2CCCC2)c1	224028450	ILIORDKEHZTYKU-SFHVURJKSA-N	532.619	2.846	5	40	KFBB	
CCOC(=O)[C@H]1C(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	4288158	RDMUJVWEBOAMQJ-KYQOMENCSA-N	552.808	2.795	5	40	KFBB	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(C[C@@H]3CO3)[C@@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c(SCCO)cc(O)c12	103547391	ZYTAXTPQNBATFV-SSVYSABNSA-O	552.669	2.727	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224252844	STUBEWZAVOZGMK-OAQYLSRUSA-N	504.609	2.921	5	40	KFBB	
COC(=O)c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1	100129418	UNDHOTWVTLTSNV-IBGZPJMESA-N	506.437	2.854	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223537125	SPCKXNRVGVNHGH-IBGZPJMESA-N	504.609	2.737	5	40	KFBB	
CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1	103116338	SGMGETSCGCVDSR-MRXNPFEDSA-N	533.559	2.743	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)C(c2ccccc2)c2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1	408658194	QGYGVDOPCKENHE-FQEVSTJZSA-N	516.510	2.788	5	40	KFBB	
CCOC(=O)Cn1/c(=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2cc(S(N)(=O)=O)ccc21	100877564	MTSZIENJTHHZNL-XDOYNYLZSA-N	520.570	2.777	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222570369	NSNFLFFWECRQMU-DEOSSOPVSA-N	572.615	2.895	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)N=c3s/c(=C\c4ccc([N+](=O)[O-])o4)c(=O)n32)cc1OCC	16692926	LNLWRQUPWIVXFQ-SARUNTBLSA-N	513.528	2.707	5	40	KFBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCCN4CCOCC4)cc3c3ccnc2c31	38140762	NQXCIGLNRGUCQV-QGZVFWFLSA-N	530.581	2.825	5	40	KFBB	biogenic
CCOCCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3cccc(C)c3nc21	101128780	NUCSPEAYODSWMR-UHFFFAOYSA-N	519.602	2.853	5	40	KFBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)c(F)c4F)C3=O)cc21	408536197	YOTYCMPXENZPBZ-UUASQNMZSA-N	521.433	2.878	5	40	KFBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)nn1	3096988	CRFGFNCQUOKTOJ-UUILKARUSA-N	514.545	2.721	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@@H]1c1ccc(OC)cc1	2148646	RVDOJTSPPOLOOA-ZRELAVNMSA-N	539.566	2.819	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222974875	UFJBTNZXRJJIIY-SFHVURJKSA-N	520.608	2.703	5	40	KFBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](NC[C@H]1COc2ccccc2O1)C(Cl)(Cl)Cl	20813112	IFJDDTPJAAHQFJ-LRDDRELGSA-N	508.746	2.952	5	40	KFBB	
Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22838045	JSDXDYMBGKGFSJ-UHFFFAOYSA-N	513.605	2.882	5	40	KFBB	
COc1ccc(C(=O)N[C@H](CO)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	33379037	CPDZRJRERWGVLX-QGZVFWFLSA-N	520.955	2.580	5	40	KFBB	
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	71788450	YRRJPHPISGAFSU-FIKGOQFSSA-N	527.578	2.679	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224250131	PGVXFNSBIKYILG-FQEVSTJZSA-N	520.608	2.621	5	40	KFBB	
COc1cc2cc(CN(C[C@@H]3CCCO3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2cc1OC	918981	STVOESJGQPFJSH-KRWDZBQOSA-N	503.533	2.823	5	40	KFBB	
O=C(Cc1cccs1)N[C@H]1C(=O)N2C(C(=O)O)=C(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CS[C@@H]12	95636346	LHNIIDJCEODSHA-LADOFLMKSA-N	516.513	2.559	5	40	KFBB	in-vitro
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2ccccc2)cc1	408639776	ZCYGLYWCTWHOFM-IBGZPJMESA-N	531.477	2.733	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223113787	KALDPDSYTVAFGO-IAGOWNOFSA-N	538.598	2.841	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225440722	QEHRKYWLWSLFTO-OAQYLSRUSA-N	534.635	2.746	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225509175	QBQVEBLCVNRQBF-DEOSSOPVSA-N	524.599	2.747	5	40	KFBB	
O=C(NC12CC3CC(CC(C3)C1)C2)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	14358709	GCRBHPSKLZTOPG-UHFFFAOYSA-N	532.663	2.917	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)S(C)(=O)=O	20456486	SOVPIIQMDKTSKO-UHFFFAOYSA-N	519.561	2.504	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1[N+](=O)[O-]	408652233	FZDDPDIOFJJKDL-ZDUSSCGKSA-N	509.302	2.885	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Br)cc1Cl	408663441	YGCKQKRJTFZMIX-GFCCVEGCSA-N	539.726	2.686	5	40	KFBB	
CCOc1ccc(NC(=O)COC(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1	103066054	JFSVDQHGQBTPCC-UHFFFAOYSA-N	551.574	2.785	5	40	KFBB	
COC(=O)CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)s1	224447827	KSEJQTLRBXHOGW-UHFFFAOYSA-N	523.574	2.545	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222828843	MWZLXRAJPZGWPT-NRFANRHFSA-N	550.634	2.710	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260878593	BTJAWAFYGOFQHY-SJORKVTESA-N	508.572	2.832	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)cc(C)c1Br	408671473	YFNNTTZKQOPIPM-CQSZACIVSA-N	533.335	2.649	5	40	KFBB	
COCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	33540534	RDILEFJDELMYSK-UHFFFAOYSA-N	508.509	2.955	5	40	KFBB	
CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224541347	CGORJYKCWOLJBF-OAQYLSRUSA-N	520.608	2.621	5	40	KFBB	
CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225060542	SKHKUYOAXQBCFT-IBGZPJMESA-N	504.609	2.655	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Br)cc1Cl	408666793	SNAYHUNQNMCJTM-LLVKDONJSA-N	539.726	2.686	5	40	KFBB	
CC(=O)O[C@@H]1CO[C@H](c2ccccc2[N+](=O)[O-])O[C@@H]1[C@H]1O[C@@H](c2ccccc2[N+](=O)[O-])OC[C@H]1OC(C)=O	4353260	IPGDNDWRRZVKJI-PPOWDTIZSA-N	532.458	2.895	5	40	KFBB	
COc1cc(C(=O)N[C@H](CCSC)C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(OC)c1OC	101378054	LCVLURFDIYGCJN-MRXNPFEDSA-N	539.538	2.793	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224928032	DFTGAGWTKKYELU-QFIPXVFZSA-N	564.661	2.958	5	40	KFBB	
O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1	408683678	LZACWKFLXHQKNJ-UHFFFAOYSA-N	519.382	2.948	5	40	KFBB	
CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223176130	WCJGZXZNYSHRDK-GOSISDBHSA-N	526.999	2.576	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224761594	ADFHELQGVOQJQL-GOSISDBHSA-N	520.608	2.621	5	40	KFBB	
COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)sc3nc2=O)cc1OC	1859995	VGZSLCNMZAPNIS-XKZIYDEJSA-N	518.507	2.835	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1	408691073	YAWUWKUAAZSOKF-DFOTYWCWSA-N	519.510	2.504	5	40	KFBB	
CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	33761820	PAYFUFIRTVVEAN-IBGZPJMESA-N	514.564	2.717	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@@H]1c1ccccc1	34868409	PTIGNNFULGUZCN-PRWBYUBPSA-N	509.540	2.811	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260737160	LIPLXPSFCDVZLB-GOSISDBHSA-N	520.608	2.620	5	40	KFBB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1	408650050	AHALYLYQLAVHTJ-OAHLLOKOSA-N	533.335	2.595	5	40	KFBB	
COc1c2c(cc3c1[C@H]([C@H]1OC(=O)c4c1c([N+](=O)[O-])c(OC)c(OC)c4[N+](=O)[O-])N(C)CC3)OCO2	4805047	GKBIQXFRLNCSPW-KDOFPFPSSA-N	503.420	2.698	5	40	KFBB	
COc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)c([N+](=O)[O-])c1	103090812	PSODMRCMEUUJKW-UHFFFAOYSA-N	543.510	2.971	5	40	KFBB	
O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	105303859	UVPUQEFPSLQSOV-UHFFFAOYSA-N	534.982	2.830	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)CC2)c([N+](=O)[O-])c1	408576920	YVKOJEICYSRIQH-UHFFFAOYSA-N	501.521	2.825	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccc([N+](=O)[O-])cc1	408638729	DFZWLNYEUDHVFG-AEZRXPCCSA-N	516.466	2.796	5	40	KFBB	
CCc1cc(Br)ccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	138904172	CBIJTTHOPRBYAB-CQSZACIVSA-N	533.335	2.595	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224380014	CKRRPFOLHUMBCC-FQEVSTJZSA-N	508.572	2.752	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224797384	OSGLDOBJLIIAER-MRXNPFEDSA-N	541.026	2.966	5	40	KFBB	
Cc1nc(N(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c(C)n1N	110545981	KURLUAIWVHFAEK-HEFCMCLBSA-N	522.628	2.903	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222873321	FQZNVGBLQKLQJW-QFIPXVFZSA-N	520.608	2.701	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224292476	XKXFZYSBZHGFOM-IBGZPJMESA-N	541.026	2.966	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224797435	OSGLDOBJLIIAER-INIZCTEOSA-N	541.026	2.966	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260863374	BVPYYTPKFSCVCH-GOSISDBHSA-N	522.599	2.998	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@@H]1c1cccc([N+](=O)[O-])c1	1816067	DUXZFFJAAGFXQY-ZRELAVNMSA-N	507.524	2.632	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1	11691238	BWYBOLOGFDYRSZ-XJPPPLFUSA-N	517.498	2.654	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	408574553	RXVWCFLWANNWNC-UHFFFAOYSA-N	501.521	2.825	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccc(OCC)cc1	409008554	XTTOQLVAAQRGBW-WHNPURCTSA-N	591.690	2.857	5	40	KFBB	
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	604405126	XBZLCVAUSGZVAJ-FIAZIHOUSA-N	539.548	2.907	5	40	KFBB	biogenic
CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	26275413	ZIBIVIRBYMBEHZ-NDEPHWFRSA-N	682.873	2.938	5	40	KFBB	in-vitro
CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	33704917	JGTSJNORUYQRQV-IBGZPJMESA-N	514.564	2.717	5	40	KFBB	
COc1ccc2c3c1O[C@@H]1[C@]34CC[N+](C)(C[C@@H]3CO3)[C@H](C2)[C@]42C=C[C@@]1(OC)c1c(O)c(SCCO)cc(O)c12	103547396	ZYTAXTPQNBATFV-ADBPFZCOSA-O	552.669	2.727	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)C(c3ccccc3)c3ccccc3)C2)c1	408655223	LQYOYLHMYKWPKH-FQEVSTJZSA-N	546.536	2.797	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	2060539	SORSKYVQARPXFP-VLOXRPPESA-N	507.524	2.632	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)CC1=O	408673155	ZBNMSJOZCPFAQE-KRWDZBQOSA-N	513.503	2.951	5	40	KFBB	
Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O	224413169	YDSNRFHDQXZPLU-UHFFFAOYSA-N	582.701	2.819	5	40	KFBB	
Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	6281651	RKZPXMXORNROOW-DHLKQENFSA-N	530.589	2.822	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1	101177093	DCTRJUNJSYOXTB-QAPAXVHSSA-N	562.579	2.772	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccccc1OC	409099828	LVTPYCDRPTURFO-XOYGFPHKSA-N	522.583	2.726	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1	8425935	HCPGUQAJTUTBJG-WVWKGNOCSA-N	509.540	2.724	5	40	KFBB	
COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083642	WKTLMQBSKNHBLV-DEOSSOPVSA-N	518.578	2.598	5	40	KFBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	112232030	CEEMWLZQIQMYHN-UHFFFAOYSA-N	540.646	2.863	5	40	KFBB	
CCOC(=O)C1=C[C@H]2[C@@H]3C(=O)N(c4ccccc4OC)C(=O)[C@@H]3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N2C=C1	15953437	VWLJFKIZDRKISN-UDIDDNNKSA-N	517.494	2.662	5	40	KFBB	biogenic
CCOC(=O)C1=C(C(F)(F)F)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	96021703	VLAITBVYVFMAFO-IISPMBILSA-N	547.467	2.978	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224832544	ODOJWRWXHRULBB-INIZCTEOSA-N	541.026	2.966	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260733884	KYYURYDTTDEFNA-GOSISDBHSA-N	520.608	2.620	5	40	KFBB	
Cc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	408686673	NLRPXHGAHIGBIZ-RAGBBULCSA-N	503.511	2.803	5	40	KFBB	
COCCn1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20082787	IHTIGEFPQACZLZ-XMMPIXPASA-N	518.578	2.598	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225226197	BTJAWAFYGOFQHY-DLBZAZTESA-N	508.572	2.832	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409337413	TZBFPVZWLWOUOU-VLOXRPPESA-N	509.540	2.811	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccccc1OCC	50590392	YJXXZPBCOKLUHH-OLFWJLLRSA-N	504.543	2.921	5	40	KFBB	
Cc1cc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c(C)cc1Br	408654607	KMICCCWADLUKQJ-HNNXBMFYSA-N	533.335	2.649	5	40	KFBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCN(C)CC4)c(=O)n32)cc1	100747372	SHPTVZXXLHJBFU-CSJROMOCSA-N	591.690	2.855	5	40	KFBB	
COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083518	MSFZMTHQYISESO-DEOSSOPVSA-N	518.578	2.598	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(C)c([N+](=O)[O-])c1	100820949	AQPGONRBNOPMTR-PPPCSUNHSA-N	531.525	2.963	5	40	KFBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1	224284120	MJOMMYRBFQLCTG-UHFFFAOYSA-N	588.664	2.770	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	8443158	YXLOQUYNXXWBLB-YOKWNPFVSA-N	539.566	2.732	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(Br)cc1	100820876	DJMMSRKSMQLUCK-MEFGMAGPSA-N	525.359	2.976	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224438978	BSRNNNKKPLPPRA-SFHVURJKSA-N	550.634	2.568	5	40	KFBB	
Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@H](C)C(=O)NC(C)C)cc1	260774411	XCAGXWVHCYSPNL-LJQANCHMSA-N	504.609	2.920	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224209244	DASPGDOASCGCTD-NRFANRHFSA-N	504.609	2.921	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)ccc3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409348644	RQRAVCAHYNQWPZ-FNUHDPNESA-N	509.540	2.729	5	40	KFBB	
COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Br)cc1	9446201	AKEAAOIKQBCZOM-UHFFFAOYSA-N	516.370	2.893	5	40	KFBB	
COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	6176833	SMMCEHNIQPRMOX-RDGATRHJSA-N	546.588	2.522	5	40	KFBB	
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1Cl	59331392	UNBFCXYZTHBYNF-UHFFFAOYSA-N	520.011	2.930	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccc2c(c1)OCO2	100820917	ABXSCXYNROPWKN-OLFWJLLRSA-N	512.478	2.937	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224252903	STUBEWZAVOZGMK-NRFANRHFSA-N	504.609	2.921	5	40	KFBB	
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	12522738	DJUHNKOWVVDWOF-UHFFFAOYSA-N	504.565	2.867	5	40	KFBB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	12542557	KTEQVNADKPVGKL-LQPUYASZSA-N	517.347	2.961	5	40	KFBB	
CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	409024404	KVJRBGVANKAGRL-UHFFFAOYSA-N	535.575	2.609	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409037767	NMJLJYHEMLFJGE-XQAWFANUSA-N	611.629	2.666	5	40	KFBB	
O=C(c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	103022075	SLNRYAYGMZMYHV-UHFFFAOYSA-N	522.543	2.528	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1	101096723	VRNZHFLSLOVXDA-OAGTXPOXSA-N	531.525	2.963	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1	101177091	DCTRJUNJSYOXTB-NZULSMBVSA-N	562.579	2.772	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225487159	LPRWCGOVQQUXHG-OAHLLOKOSA-N	541.424	2.595	5	40	KFBB	
CC(C)C(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	105316405	IYXKPCLBWPIPSE-UHFFFAOYSA-N	540.646	2.863	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	223885604	NAYDAQLJAHHEDC-KRWDZBQOSA-N	550.609	2.985	5	40	KFBB	
Cn1c(=O)c2c(SCC(=O)Nc3ccc(F)cc3F)nc(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O	9411419	YUJWEWKWEAYGHJ-UHFFFAOYSA-N	514.470	2.611	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225408647	VAPKWNITTQKQKU-OAQYLSRUSA-N	550.634	2.712	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1ccc(OC)c(OC)c1	1902166	HCPGUQAJTUTBJG-WLJFKGHSSA-N	509.540	2.724	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224868616	PRMPELQHBGBODJ-QGZVFWFLSA-N	508.572	2.752	5	40	KFBB	
Cc1c(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)ccc(Br)c1Cl	408656021	IGELWEAJBBBIOP-GFCCVEGCSA-N	553.753	2.994	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224688777	NJVAFTPVVJIWGK-SFHVURJKSA-N	520.608	2.621	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260917936	RYILOTIPFGLCSD-QGZVFWFLSA-N	538.598	2.698	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccc2c(c1)OCO2	101252367	HRIHLGKBIWVLAT-OLFWJLLRSA-N	518.526	2.641	5	40	KFBB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(oc(=O)c4ccccc43)c2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70681102	SBHLOPJFMRUCQH-HOZVGSINSA-N	556.520	2.717	5	40	KFBB	biogenic
COc1ccc(Cn2c(=N)c(C(=O)NCc3ccc4c(c3)OCO4)cc3c(=O)n4ccccc4nc32)cc1	101039805	RRGWZXAHIFZIGT-UHFFFAOYSA-N	509.522	2.844	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225378126	GOPNVDPVMQEKOZ-OAQYLSRUSA-N	550.634	2.712	5	40	KFBB	
Cc1nc(N(CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c(C)n1N	12523669	KURLUAIWVHFAEK-DJKXOVBDSA-N	522.628	2.903	5	40	KFBB	
CCOCCCn1/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	101150472	QDUREUNHYQPSLS-NFFVHWSESA-N	519.514	2.902	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OCC	408738000	HPSVWOFZZVIFTJ-VLOXRPPESA-N	509.540	2.811	5	40	KFBB	
CCOc1ccccc1NC(=O)CSc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	11758224	KUSTUJAPVHDOIS-UHFFFAOYSA-N	522.543	2.732	5	40	KFBB	
CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O	409180466	TYRGDGHTDFGZSQ-QGZVFWFLSA-N	543.337	2.727	5	40	KFBB	
Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3CCCN3CCOCC3)c(=O)n2c1	16750847	YCKWXXQOSIUOIA-FQEVSTJZSA-N	500.603	2.650	5	40	KFBB	
Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)ccc(Br)c1Cl	408659379	SGPULZMDLWLIRM-ZDUSSCGKSA-N	553.753	2.994	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OC)c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409106088	MIKHYYOBBMZCHC-DKOMQPSQSA-N	582.635	2.743	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223445979	PCCPQAUNRBHMCP-SFHVURJKSA-N	520.608	2.703	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O	225545669	LSMZHPZGWPKTNG-INIZCTEOSA-N	541.026	2.965	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408683514	IEGOHWAPZWRDIC-LEABRGHYSA-N	541.516	2.977	5	40	KFBB	
CCCCOC(=O)CNC(=O)c1c2nc3c(C(=O)NCC(=O)OCCCC)ccc(C)c3oc-2c(C)c(=O)c1N	5049490	KNGJYJSYAUOKEH-UHFFFAOYSA-N	554.600	2.638	5	40	KFBB	
CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	6088637	QCWHKNPQPUFINQ-JOCHJYFZSA-N	628.664	2.820	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1cc(OC)ccc1OC	409097098	MYPCVOPTNLVHKE-YLVTVWEBSA-N	597.606	2.643	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409162323	UAEZLCYGPUTUIH-KEBMYNNESA-N	524.511	2.629	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(C)cc1	8445142	OXOUDQOULCFNEW-ZMIGGIFCSA-N	548.621	2.852	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222710715	VOWWMTFBBAGZET-CYBMUJFWSA-N	547.417	2.840	5	40	KFBB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCOCC2)cc1	224544712	UBAJHDCANVZWNL-UHFFFAOYSA-N	524.599	2.939	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1C	108325938	XSNZEWFMBWEIDD-BEFAXECRSA-N	545.492	2.536	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(OCC)cc1	409008553	XTTOQLVAAQRGBW-HPFVHPJRSA-N	591.690	2.857	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)S(C)(=O)=O	409412058	QPMQPRGFRHBOBO-UHFFFAOYSA-N	534.572	2.809	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225364874	BSUXLYJKAJXZOA-QZTJIDSGSA-N	550.634	2.710	5	40	KFBB	
O=C([C@H](Cc1ccc(O)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)N1CCN(C2CCCCC2)CC1	9479709	UQYNXLVHDUJOED-QHCPKHFHSA-N	506.559	2.985	5	40	KFBB	
CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1[N+](=O)[O-]	105303652	BVCQXQDYMZTGNO-UHFFFAOYSA-N	544.590	2.575	5	40	KFBB	
Cc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225527872	XCAGXWVHCYSPNL-IBGZPJMESA-N	504.609	2.920	5	40	KFBB	
CCOC(=O)C1=C(COC(=O)[C@H](CC(C)C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NC(=O)N[C@H]1c1ccco1	102220387	PDJCAYYFHUHFBL-UWJYYQICSA-N	554.512	2.613	5	40	KFBB	
COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	59652378	LCEKGTFZIVFVRC-UHFFFAOYSA-N	584.607	2.918	5	40	KFBB	
CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nn12	112239874	LTLZOQXHSPKGBL-UHFFFAOYSA-N	552.642	2.965	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	225188162	PJDJUOHLHYETHU-LJQANCHMSA-N	510.572	2.953	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O[C@H](C)C(=O)OC)C2=O)o1	409399664	KMQAWPKSUBCNET-QOUOVQQFSA-N	507.839	2.661	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223109796	CLRXAJKBPPJTHZ-IAGOWNOFSA-N	508.572	2.832	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223537070	SPCKXNRVGVNHGH-LJQANCHMSA-N	504.609	2.737	5	40	KFBB	
COC(=O)CN1C(=O)N/C(=C/c2cc(I)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O	408549251	RKHWUSNAIIQKJK-LZYBPNLTSA-N	567.292	2.853	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccc(O)c(OCC)c1	408732305	UDQYAFUENZIBLF-AFHVAHMMSA-N	509.540	2.920	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408942829	LJMRTCONXMIBON-KKGUTSHJSA-N	543.941	2.707	5	40	KFBB	
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(S(=O)(=O)N2CCCC2)c1	3269554	HQMXJQZSKIYAKB-UHFFFAOYSA-N	522.586	2.921	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	105501024	UNQBWZNSLQZNDO-FFMVHGEESA-N	588.392	2.903	5	40	KFBB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCOCC4)C3=O)cc2)cc1[N+](=O)[O-]	106710940	KCPMMCDIYWNBIZ-NDENLUEZSA-N	547.567	2.566	5	40	KFBB	
COc1ccc(NC(=O)COC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	6163662	GQDSQVGXTOEBOT-JOCHJYFZSA-N	503.467	2.993	5	40	KFBB	
COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409025466	VJBOSGJTAJRPQO-UHFFFAOYSA-N	598.634	2.880	5	40	KFBB	
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4O)c(=O)n32)cc1	8400129	SMMOWCXYFPFOHB-SRKIZSPNSA-N	509.540	2.809	5	40	KFBB	
CCOC(=O)C1=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2C(N)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	8448553	SBGLTOPCKXAEAI-AMCKHAKVSA-N	634.648	2.625	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224993041	BLPROHNZSJQNLO-ZWKOTPCHSA-N	520.608	2.701	5	40	KFBB	
O=C(OCCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	100809624	RPQXFOMUXOXMLK-UHFFFAOYSA-N	520.454	2.946	5	40	KFBB	
O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Br)c(Cl)c1	138792200	IMCRIZQDVXTYBW-NSHDSACASA-N	539.726	2.686	5	40	KFBB	
O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1N1CCOCC1	409353447	LBXODBMTBYWFKF-JMIUGGIZSA-N	512.500	2.835	5	40	KFBB	
CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2	103059968	ACXPIZIRTZXNBA-QGZVFWFLSA-N	523.951	2.688	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1	408573281	NMUSMGZMFFFVAI-UHFFFAOYSA-N	517.520	2.525	5	40	KFBB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1)Nc1ccc([N+](=O)[O-])cc1	12591526	RBUXWDVSQYLLDX-UHFFFAOYSA-N	513.484	2.962	5	40	KFBB	
COc1ccc(CCNC(=O)Cn2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC	101319238	OLFUTRPTBOMWTJ-UHFFFAOYSA-N	524.555	2.557	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223008975	GLXFSVAWDBNFBC-OAHLLOKOSA-N	541.424	2.677	5	40	KFBB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1	408651416	AXUNWNJFNAQBJU-GFCCVEGCSA-N	553.753	2.994	5	40	KFBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c2=O)=N1	409034964	IPEOJVQATJPYFM-AFHVAHMMSA-N	509.540	2.724	5	40	KFBB	
O=C(COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1O)NCc1ccco1	25392168	IPSHKQUYFKKXCZ-UHFFFAOYSA-N	509.880	2.821	5	40	KFBB	
C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(N)=O)C1	22827288	RNEPDADBILJXDQ-LBPRGKRZSA-N	503.606	2.843	5	40	KFBB	
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	38152230	AWHIEUJBELLPEF-UHFFFAOYSA-N	529.402	2.885	5	40	KFBB	
COc1ccc(C(=O)OCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-]	13148336	FMSWHZGOFVMHPU-UHFFFAOYSA-N	507.521	2.582	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccc(OC)c1OC	101177085	XEFADFTUHFXNFM-BXLUMZSYSA-N	532.553	2.763	5	40	KFBB	
C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222882163	QQDITFFFCDUAEI-MRXNPFEDSA-N	508.572	2.832	5	40	KFBB	
CCOCCCn1/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102880297	GKCVIUXOSVLAKQ-NFFVHWSESA-N	519.514	2.902	5	40	KFBB	
COC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1cc(Cl)ccc1OC	408956250	ZFLFRCWCDJUZMY-FUJWGRRUSA-N	515.931	2.684	5	40	KFBB	
CS(=O)(=O)CC[C@H](C(=O)OCC(=O)c1ccc2ccccc2c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	409177036	BFZIYZUHYZEPHX-HXUWFJFHSA-N	524.507	2.573	5	40	KFBB	
CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	13097571	QDRUPKIXLZLKRN-UHFFFAOYSA-N	502.471	2.800	5	40	KFBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1	101456488	PHSPOQGQVPKFSN-HHHXNRCGSA-N	598.678	2.861	5	40	KFBB	
CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	222786990	HHJFATDRQBFCPC-LJQANCHMSA-N	540.598	2.962	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C\C=C/c4ccc([N+](=O)[O-])o4)c3=O)=N[C@@]12c1ccccc1	100085848	AOODZAXTWUHYTR-TWIDMLKUSA-N	542.577	2.785	5	40	KFBB	
CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225543958	PTZNPZGRCOHILR-INIZCTEOSA-N	511.000	2.956	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260929961	HNHDGUWTYGCGFW-MSOLQXFVSA-N	520.608	2.701	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2)CC1=O	408653252	FJZOTWZMAIWBGW-WFZQVPDDSA-N	517.494	2.873	5	40	KFBB	
O=C(COC(=O)[C@@H](CCCCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1	29747827	KCNYGPBHCOZNPB-JRMVVZADSA-N	605.644	2.922	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	68581433	WIYUYDWXDYFMNR-YFIVPJIISA-N	588.529	2.944	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)[C@H](C)C(=O)NCC(C)C)cc1	260860850	AZPYXRGAZITDCU-GOSISDBHSA-N	550.634	2.568	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1	408690574	VZAZXBJSOFKHIQ-QFIPXVFZSA-N	503.467	2.993	5	40	KFBB	
CCOC(=O)[C@H]1C(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C(=O)OCC)[C@@](O)(C(F)(F)F)N[C@@]1(O)C(F)(F)F	4288161	RDMUJVWEBOAMQJ-HJUPKNEGSA-N	552.808	2.795	5	40	KFBB	
COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	409322860	LTYUFCKMEXSAGK-QPJJXVBHSA-N	504.433	2.959	5	40	KFBB	
CCOC(=O)[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	9234627	HCHDLSARMLLYRF-KCMSVQPVSA-N	522.514	2.577	5	40	KFBB	
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c3nc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1	2968979	ZEGKSIZBDZDRCA-UHFFFAOYSA-N	563.621	2.951	5	40	KFBB	
Cc1ccccc1CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C	224125699	YOOKNUSBJQJRLZ-IBGZPJMESA-N	504.609	2.859	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Br)c(Cl)c1	138792071	IMCRIZQDVXTYBW-LLVKDONJSA-N	539.726	2.686	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C\c4ccc([N+](=O)[O-])cc4)c3=O)=N[C@@]12c1ccccc1	33355400	YUWYXVNKMWKBNT-LUXHZTLPSA-N	526.578	2.527	5	40	KFBB	
CC12CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC(C)(CN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C1)C2=O	102620352	GRMCBZFRPDVUBZ-UHFFFAOYSA-N	556.444	2.513	5	40	KFBB	
CCN(CC)S(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C2=O	95742920	GETHGANAOCCINF-UHFFFAOYSA-N	540.576	2.775	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)(C)C)cc1	223075070	LKWTZNZHYAMAAY-KRWDZBQOSA-N	520.608	2.701	5	40	KFBB	
Cc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1	224157617	UKRMIXRSRYPDFY-IBGZPJMESA-N	504.609	2.859	5	40	KFBB	
Cc1nn([C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O2)c(O)nc1=O	256695269	MIFXJGYIGLJNNL-ROXDYWFKSA-N	720.560	2.973	5	40	KFBB	
O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	20529056	XTYBWPVERQCGFE-UHFFFAOYSA-N	507.469	2.895	5	40	KFBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	408595635	XNOCWIAAMFLZNU-GIDUJCDVSA-N	506.265	2.922	5	40	KFBB	
COC(=O)c1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C(=O)OC)c(=O)c4ccc(c1=O)c2c34	828303	VOKDUQWJIWEZTB-UHFFFAOYSA-N	534.480	2.617	5	40	KFBB	
Cn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1cc(Br)ccc1O	408544300	VEOYAZRYCDFRQJ-UHFFFAOYSA-N	548.379	2.780	5	40	KFBB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1C	138629287	BBSWKAVUUZJLQE-OAHLLOKOSA-N	533.335	2.649	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409041781	VPPVZAJUBQXGQB-QDNAUZDWSA-N	581.603	2.657	5	40	KFBB	
COC(=O)C1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1	13671696	HVZALXMKEFQBPW-UHFFFAOYSA-N	505.549	2.519	5	40	KFBB	
CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O	32991121	KVQMVRLBTFVAMP-RTBURBONSA-N	514.604	2.994	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)c1ccc(OC(=O)c2cccs2)cc1	408638276	QOVINYOUWLUIQO-MRXNPFEDSA-N	537.506	2.795	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(OCC)cc1	408976374	QVVAYKBZKJQHAS-XQJRBFNUSA-N	554.537	2.719	5	40	KFBB	
C[C@H](OC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	3297777	ZZHGMJPFAQWSKR-ZDUSSCGKSA-N	525.499	2.749	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)Cc1ccc(OC)cc1	103629181	KQIFJIDDTYFYAW-LAQJEIFGSA-N	516.554	2.684	5	40	KFBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c2=O)=N1	409034969	IPEOJVQATJPYFM-ZRELAVNMSA-N	509.540	2.724	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	224095686	QEDGJMMEQIRUBO-IBGZPJMESA-N	546.646	2.888	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224794423	LBTLGPRXNJXEOU-INIZCTEOSA-N	511.000	2.958	5	40	KFBB	
COc1cc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(C)=O	409386130	LHJTZWYPVZZXCZ-CLJLJLNGSA-N	654.537	2.937	5	40	KFBB	
Cc1nc(N(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2N)c(C)n1N	110545977	KURLUAIWVHFAEK-BOUXLOLZSA-N	522.628	2.903	5	40	KFBB	
CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224728270	QIYBDBHNRDKATA-LJQANCHMSA-N	504.609	2.921	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3c(OC)cccc3OC)CC2)c([N+](=O)[O-])c1	408572291	ILMJOVOTAGEVAG-UHFFFAOYSA-N	502.549	2.626	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O[C@H](C)C(=O)OC)C2=O)o1	409398602	FAGLSNFGXWIPJQ-QOUOVQQFSA-N	552.290	2.770	5	40	KFBB	
CCOCCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	102920817	WCUPVMQVMRJZHC-RMLRFSFXSA-N	518.526	2.722	5	40	KFBB	
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1	6176871	SMMCEHNIQPRMOX-WIOPSUGQSA-N	546.588	2.522	5	40	KFBB	
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1	408572560	KAPLPJTXGVEDCY-UHFFFAOYSA-N	526.619	2.860	5	40	KFBB	
CCOC(=O)COc1c(I)cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1OC	409312105	JYJWJBNBAXATHL-PLNGDYQASA-N	517.232	2.522	5	40	KFBB	
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1	8774688	FHQUJVMKMOSFAH-UHFFFAOYSA-N	552.993	2.643	5	40	KFBB	aggregator
CN(C)S(=O)(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1	103012566	DUPXRZGCQWWUTK-UHFFFAOYSA-N	531.012	2.538	5	40	KFBB	
C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223112205	PFZANAKQOBGLHO-GOSISDBHSA-N	504.609	2.735	5	40	KFBB	
O=C(COc1ccc(Cl)cc1Cl)NC[C@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	169683664	WSLIXNUYFJKJIW-JWRIFHQMSA-N	518.309	2.910	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C)S(C)(=O)=O	260882382	JGXRDFVLEDUGHR-LJQANCHMSA-N	534.635	2.867	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409042581	YLFDJBAUDTUPHK-QDNAUZDWSA-N	581.603	2.657	5	40	KFBB	
NCCCN(CCCN)CCCNCc1c2ccccc2c(CNCCCN(CCCN)CCCN)c2ccccc12	5808225	BOEKXSBACLDMJQ-UHFFFAOYSA-N	578.894	2.952	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC(C)=O)c3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1	1816065	DUXZFFJAAGFXQY-AFHVAHMMSA-N	507.524	2.632	5	40	KFBB	
CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccc(Br)cc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@H](O)CN2CCCCC2)[C@@H]1O	104156492	FLBNPKVMSCMVDP-MHYAHKCPSA-N	547.558	2.679	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N(C)C)c(=O)n2[C@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409040624	SZRMZULOBNQMKH-LKWZWFHSSA-N	624.672	2.723	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409354972	AXZWJYMFSVALRS-KEBMYNNESA-N	554.537	2.637	5	40	KFBB	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](NC[C@H]1COc2ccccc2O1)C(Cl)(Cl)Cl	20813109	IFJDDTPJAAHQFJ-BLLLJJGKSA-N	508.746	2.952	5	40	KFBB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2=O)=N1	409037502	CVNOAILKCHUSGP-FOOJEKODSA-N	534.594	2.543	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C	100820877	BEJDOYHHMDODOQ-NFFVHWSESA-N	519.514	2.820	5	40	KFBB	
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)no1	9635852	BAJOPBPKFJPOQX-UHFFFAOYSA-N	506.478	2.727	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	408982448	DPEALMGECPNWAY-VVOOWDFBSA-N	539.566	2.819	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@H](C)C(=O)O)c([N+](=O)[O-])c3)C2=O)o1	409400310	ODNLEINIBRUITJ-JHFYRWCBSA-N	538.263	2.682	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccc([N+](=O)[O-])c1C	100820946	PIRDNQFXEZMXHH-DPQBRJOUSA-N	531.525	2.963	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccc(F)cc1	8400045	KMKDBWVKKFDQRA-OWXSRONMSA-N	565.627	2.597	5	40	KFBB	
COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083294	RORMCUFJFXXIJM-DEOSSOPVSA-N	518.578	2.598	5	40	KFBB	
CC1=C(C(=O)OCCNC(=O)c2ccccc2O)[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCN(C)C)=C(C)N1	102667667	XBHZWOBQSMZSGW-VWLOTQADSA-N	552.584	2.613	5	40	KFBB	
Cc1nn([C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O	195767668	MIFXJGYIGLJNNL-CQJMVLFOSA-N	720.560	2.560	5	40	KFBB	
CC(=O)S[C@H]1C[C](CN(C(=O)OC(C)(C)C)S(N)(=O)=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1	1560411844	VELSLBCFRMPDRT-KRWDZBQOSA-N	531.589	2.558	5	40	KFBB	
CCN(CC)CCNC(=O)c1c2nc3c(C(=O)NCCN(CC)CC)ccc(C)c3oc-2c(C)c(=O)c1N	5066696	KELVHZGFGBRPMQ-UHFFFAOYSA-N	524.666	2.635	5	40	KFBB	
NS(=O)(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	12600424	YCMZDSUIIHFDEF-UHFFFAOYSA-N	510.937	2.949	5	40	KFBB	
Cn1c(=O)n(C)c2cc(N3CCN(c4ccccc4)CC3)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21	408529856	IDHFHLYYXFVFNA-UHFFFAOYSA-N	522.587	2.913	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc([N+](=O)[O-])c3O[C@@H](C)C(=O)OC)C2=O)o1	409399657	KMQAWPKSUBCNET-IXIHQHOXSA-N	507.839	2.661	5	40	KFBB	
COc1ccc(N(CC(=O)NCCNC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	197886410	DBKVEGSKKLPTFZ-UHFFFAOYSA-N	816.824	2.861	5	40	KFBB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1	409028893	SOTIANDICDHOHA-UHFFFAOYSA-N	538.582	2.863	5	40	KFBB	
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1	19972924	LXJBVZQEFWOBNR-XMMPIXPASA-N	518.578	2.543	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@H]2C1=O	248147242	UACZHXRJBAQXAZ-LEWJJULVSA-N	527.331	2.797	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	8397535	QZQCJACLQVFPCR-CMFUILSCSA-N	588.529	2.944	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409354968	AXZWJYMFSVALRS-IDQDRXHYSA-N	554.537	2.637	5	40	KFBB	
O=C(NC(=S)Nc1ccc(I)cn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	8835392	RFGAMTZSPUCCJR-UHFFFAOYSA-N	513.317	2.558	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222865768	RRJACAUJJRTYKC-VWLOTQADSA-N	584.651	2.764	5	40	KFBB	
CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225440762	QEHRKYWLWSLFTO-NRFANRHFSA-N	534.635	2.746	5	40	KFBB	
CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1	6088639	QCWHKNPQPUFINQ-QFIPXVFZSA-N	628.664	2.820	5	40	KFBB	
COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c1	408683507	IEGOHWAPZWRDIC-ATEVHTGXSA-N	541.516	2.977	5	40	KFBB	
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4018314	IFGTUZLXIGAQOL-UIOOFZCWSA-N	691.698	2.537	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C\c4cccc([N+](=O)[O-])c4)c3=O)=N[C@]12c1ccccc1	102688463	VNKFZTBMPACPRI-NREWAPBFSA-N	526.578	2.527	5	40	KFBB	
COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1	10935926	JKKZPGBLFZSSEY-UHFFFAOYSA-N	504.956	2.975	5	40	KFBB	
Cc1c(Br)ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2)c1C	138629436	BBSWKAVUUZJLQE-HNNXBMFYSA-N	533.335	2.649	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223751560	XMHPDFQXMLRABP-HNNXBMFYSA-N	526.999	2.576	5	40	KFBB	
CCOC(=O)c1sc(NC(=O)COC(=O)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C	103081227	VPLZYTPSZGAISY-UHFFFAOYSA-N	555.949	2.883	5	40	KFBB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1	150339468	TYHYOKXXWSTGKG-AWCRTANDSA-N	642.669	2.783	5	40	KFBB	
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	102784450	WJAOEJLUKWIAFO-DVECYGJZSA-N	527.921	2.721	5	40	KFBB	
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNS(=O)(=O)c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)c1C	103123482	ZMYWCOGPAOWJDE-UHFFFAOYSA-N	562.557	2.626	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	408728717	RXDDEUZJFLAZKG-WVWKGNOCSA-N	509.540	2.724	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	101214853	LFGCBVYJRUJZBJ-NFFVHWSESA-N	519.514	2.820	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OC)c([N+](=O)[O-])c4)c(=O)n32)cc1OCC	408935191	MWYNROTWCCERBA-HIFDDZRDSA-N	539.566	2.732	5	40	KFBB	
O=C(CCCSc1ccccc1)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	103010481	FWSSUOGIKVYMQB-UHFFFAOYSA-N	534.660	2.837	5	40	KFBB	
CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1	408731511	NETHMBPALUGPOH-AFHVAHMMSA-N	509.540	2.920	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])ccc4N(C)C)c(=O)n32)cc1OCC	408936086	FJGRXLSYBKUPFR-JXCKLXDISA-N	552.609	2.790	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1	224467555	CYQYCOJOYHNHIZ-SFHVURJKSA-N	520.608	2.559	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	409337881	YPKFIMSYHLADIZ-IYMWYRQMSA-N	584.563	2.728	5	40	KFBB	
O=C1[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	138102963	JDDQEJKQYDPUEV-AVJFOWIRSA-N	502.458	2.607	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223057492	FQTAMHFRFDKVQS-OAHLLOKOSA-N	541.424	2.677	5	40	KFBB	
O=c1oc(=O)c2c(Br)c(Br)c3c(=O)oc(=O)c4c(Br)cc1c2c43	100487069	BGTVGGYWQKOWMZ-UHFFFAOYSA-N	504.868	2.936	5	40	KFBB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	103075546	IJFYARHHCLQQCX-UHFFFAOYSA-N	518.331	2.718	5	40	KFBB	
CCCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n21	409013551	KSMKVCPKZKPKDT-NLZIUFDSSA-N	583.619	2.836	5	40	KFBB	
CCOC(=O)COc1c(I)cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OC	409335406	ZQWLKURAIRKCOK-PLNGDYQASA-N	517.232	2.522	5	40	KFBB	
COc1ccc(CCn2c(=N)c(C(=O)NC[C@@H]3CCCO3)cc3c(=O)n4cccc(C)c4nc32)cc1OC	13779338	OKNNYFBGZAFSPA-IBGZPJMESA-N	517.586	2.606	5	40	KFBB	
CCOC(=O)COc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409402932	XRVYLWBGJYSLDM-AUWJEWJLSA-N	507.839	2.663	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@H]1c1ccccc1	34868407	PTIGNNFULGUZCN-SRKIZSPNSA-N	509.540	2.811	5	40	KFBB	
O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	109396089	UGJKOECNQALFRZ-UHFFFAOYSA-N	534.982	2.830	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cc(OC)cc(OC)c1	101177082	ABBJISMWYQMFRU-UXCNEVMTSA-N	532.553	2.763	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	225487193	LPRWCGOVQQUXHG-HNNXBMFYSA-N	541.424	2.595	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409039481	RDUUZXPJXASNIO-RLFCKUQXSA-N	595.630	2.965	5	40	KFBB	
O=C(NCCc1ccc(O)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12	1547208883	UNKOSLXVROESEG-LVKNLMQBSA-N	500.555	2.986	5	40	KFBB	biogenic
O=C(COc1ccc(Cl)cc1Cl)NC[C@@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	100041627	WSLIXNUYFJKJIW-QUZFRVLNSA-N	518.309	2.910	5	40	KFBB	
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	102777919	KZOMUSVFNCJMEZ-FQEVSTJZSA-N	527.939	2.504	5	40	KFBB	
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	102959168	RMRFWFUZNNWRON-UHFFFAOYSA-N	534.425	2.717	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225362429	HNHDGUWTYGCGFW-QZTJIDSGSA-N	520.608	2.701	5	40	KFBB	
CC(=O)Nc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(NC(C)=O)cc5)c(=O)c5ccc(c2=O)c3c45)cc1	29747361	MLAVYWOLBBATHF-UHFFFAOYSA-N	532.512	2.961	5	40	KFBB	
O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	103015859	PPCGJYNNFCSCQA-UHFFFAOYSA-N	519.517	2.881	5	40	KFBB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224411810	VADWUHSSATUUAW-JOCHJYFZSA-N	598.700	2.518	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(OC)cc1	100307060	KMMGYJQREGHYGH-ZMIGGIFCSA-N	564.620	2.552	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223491526	ISQBTGYLMFJYQF-GOSISDBHSA-N	520.608	2.703	5	40	KFBB	
O=C(CCCn1c(=O)c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)NCc1ccc2c(c1)OCO2	20152745	FXTFBCWSHJMKDT-UHFFFAOYSA-N	516.510	2.945	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O	224071447	QCFLJUCPDLOZMG-INIZCTEOSA-N	538.598	2.841	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	261003349	RZOJEQKEQSVCTB-ROUUACIJSA-N	520.608	2.701	5	40	KFBB	
CCOCCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3ccccc3nc21	101094339	KJHRTLUYEXGIHO-UHFFFAOYSA-N	505.575	2.545	5	40	KFBB	
COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083088	FDQOAGWVECXAPT-XMMPIXPASA-N	518.578	2.598	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	68581421	WIYUYDWXDYFMNR-YGJMBROUSA-N	588.529	2.944	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	223065215	IWVBCIFPUKOWHC-INIZCTEOSA-N	555.451	2.985	5	40	KFBB	
O=C(OC[C@H]1O[C@H](Oc2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@H]1O)c1ccccc1	22064907	CTPGKZRJMUOBTP-AALNHBIMSA-N	509.467	2.503	5	40	KFBB	in-vitro
CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223800427	JMXSKATYCNQNJY-MRXNPFEDSA-N	511.000	2.958	5	40	KFBB	
COc1ccc(CN(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)[C@@H](C)C(=O)NC(C)C)cc1	225676008	DXPMUAQHGINKMO-SFHVURJKSA-N	520.608	2.620	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C)cc1	408835176	MTGUTNRMBXJGNK-OLROSQPISA-N	524.511	2.629	5	40	KFBB	
CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1	408576190	VQBFITHWXDHYKN-UHFFFAOYSA-N	502.549	2.626	5	40	KFBB	
CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n21	409016632	QYFUEQNRYRAVPU-QFVBLGFASA-N	553.593	2.740	5	40	KFBB	
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[C@H]21	604404617	GBSXLOSSOHRFFD-YAHRNXAISA-N	599.600	2.925	5	40	KFBB	biogenic
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](NC[C@@H]1COc2ccccc2O1)C(Cl)(Cl)Cl	20813103	IFJDDTPJAAHQFJ-MLGOLLRUSA-N	508.746	2.952	5	40	KFBB	
CC(C)(C)NS(=O)(=O)c1cc2c(c([N+](=O)[O-])c1)-c1c(cc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C2=O	95742850	GCXZUQALYUVHDP-UHFFFAOYSA-N	540.576	2.868	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222634590	NKGKUSBYYRIPQC-FQEVSTJZSA-N	538.598	2.841	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1	2188458	YXLOQUYNXXWBLB-VVOOWDFBSA-N	539.566	2.732	5	40	KFBB	
CN1C(=O)N(C)[C@]2(c3ccccc3)N=c3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3N[C@]12c1ccccc1	97952612	VNKFZTBMPACPRI-IPDKQNQHSA-N	526.578	2.527	5	40	KFBB	
CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222566112	JGDRYRSTSLZFNK-DEOSSOPVSA-N	542.589	2.886	5	40	KFBB	
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1	101454560	XMWKQNSKDLRIDM-UHFFFAOYSA-N	525.348	2.505	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223260701	BZYCIDSFFKDIEW-KRWDZBQOSA-N	508.572	2.834	5	40	KFBB	
COc1cccc(CN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)[C@H](C)C(=O)NC(C)(C)C)c1	260792276	NXSAAMVALCBAEM-QGZVFWFLSA-N	520.608	2.701	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccccc1	59418570	WHUQVPNDJAKKQO-ZRELAVNMSA-N	509.540	2.724	5	40	KFBB	
CCc1ccc(O[C@H](C)C(=O)NCc2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)cc1	143125882	NVSMQSIHBXFEJR-CQSZACIVSA-N	514.564	2.806	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224331189	YOBKPMZUUFCRRV-FQEVSTJZSA-N	511.000	2.958	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638735	DFZWLNYEUDHVFG-UCHKQQSZSA-N	516.466	2.796	5	40	KFBB	
CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	33458795	GJMPWRRSBOJJQE-SFHVURJKSA-N	514.564	2.717	5	40	KFBB	
CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	224162073	OKKIYJCSDONSGE-FQEVSTJZSA-N	520.608	2.621	5	40	KFBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nnc(CN4CCOCC4)n3-c3ccc(Cl)cc3)cc21	408542653	KLGGJPPWOXDZPQ-UHFFFAOYSA-N	573.035	2.582	5	40	KFBB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CN3C(=O)N[C@](C)(c4ccc([N+](=O)[O-])cc4)C3=O)cc2)C1	96021385	HWMSUKFRLOWCFW-RYUVBPIJSA-N	543.602	2.667	5	40	KFBB	
CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC(=O)NCc3ccccc3Cl)CC2)c([N+](=O)[O-])c1	12546982	RXQQSGPZJPZXGH-UHFFFAOYSA-N	524.043	2.717	5	40	KFBB	
O=C(CCCCCC(=O)NCCOC(=O)c1cccc([N+](=O)[O-])c1)NCCOC(=O)c1cccc([N+](=O)[O-])c1	33354426	MMRPWYKBTBEDAI-UHFFFAOYSA-N	544.517	2.700	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	224688716	FODGUULROMDNMZ-KRWDZBQOSA-N	550.609	2.985	5	40	KFBB	
COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c1	408646163	TVPDCBLUCHZTEL-PYSZQBSGSA-N	501.495	2.897	5	40	KFBB	
Cc1c(NC(=O)COC(=O)[C@H]2CC(=O)N(NC(=O)c3ccccc3[N+](=O)[O-])C2)ccc(Br)c1Cl	408656023	IGELWEAJBBBIOP-LBPRGKRZSA-N	553.753	2.994	5	40	KFBB	
CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1	96021990	QGYBOQCHPQNCRX-DEOSSOPVSA-N	547.634	2.528	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1	409143944	XAQWAGGCVIEVCH-JGZDWKDESA-N	538.538	2.932	5	40	KFBB	
COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	20083521	MSFZMTHQYISESO-XMMPIXPASA-N	518.578	2.598	5	40	KFBB	
O=C(COc1ccc(Cl)cc1Cl)NC[C@]12C=C[C@H](O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	169683666	WSLIXNUYFJKJIW-YPIYEQTHSA-N	518.309	2.910	5	40	KFBB	
CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223495567	OQSQHALIPWEKRL-SFHVURJKSA-N	550.634	2.712	5	40	KFBB	
CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224498560	OPJRDMOYOVKMFH-IBGZPJMESA-N	504.609	2.593	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1cccc([N+](=O)[O-])c1	408648525	WPSPKKSLDCFDAL-AEZRXPCCSA-N	516.466	2.796	5	40	KFBB	
Cc1cc(C(=O)COC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1	14357925	JTNWSUDRJDWBAO-MRXNPFEDSA-N	500.537	2.907	5	40	KFBB	
CCCn1/c(=N\C(=O)Cc2ccc(OC)c(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21	103627801	STLNDCSSHJVUJZ-GNVQSUKOSA-N	504.543	2.923	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222878195	AWPPIFOETMHKAZ-OAQYLSRUSA-N	550.634	2.710	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C)S(C)(=O)=O	260905048	WHBGPFBCYPFIGP-MRXNPFEDSA-N	541.026	2.965	5	40	KFBB	
Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccc(Br)o1	12033647	HTJSGSVLFBRLFR-UHFFFAOYSA-N	509.298	2.599	5	40	KFBB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(CN2CCOCC2)cc1	224544644	FQOVQBPCSKBKKA-UHFFFAOYSA-N	524.599	2.939	5	40	KFBB	
O=C(c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1	13632988	BRNHFWGNZVFOBV-UHFFFAOYSA-N	510.572	2.731	5	40	KFBB	
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl	25356749	OUBIRPLYEWNSIJ-UHFFFAOYSA-N	509.899	2.624	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(OC)c(OC)c1	101176793	JSMRYIFFJXAHRH-OLFWJLLRSA-N	520.542	2.621	5	40	KFBB	
O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1	408638733	DFZWLNYEUDHVFG-PWCQDKJGSA-N	516.466	2.796	5	40	KFBB	
CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OCC(=O)OC	409317989	TYZMWUOGWCCKAF-PLNGDYQASA-N	517.232	2.522	5	40	KFBB	
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)cc2)cc1	110234383	KXNUWKMNBZKSQS-UHFFFAOYSA-N	564.598	2.818	5	40	KFBB	
CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223495500	OQSQHALIPWEKRL-GOSISDBHSA-N	550.634	2.712	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@H]1c1ccccc1OC	409101461	YJNFAKQCBRYXFC-QYTZQGLJSA-N	604.733	2.772	5	40	KFBB	
COc1ccc(CCNC(=O)COC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)cc1	6289653	LYBXCSBLOHWZHW-UHFFFAOYSA-N	529.527	2.626	5	40	KFBB	
CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222657860	LFNVRKVLEWKCML-ZDUSSCGKSA-N	517.391	2.831	5	40	KFBB	
CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222878142	AWPPIFOETMHKAZ-NRFANRHFSA-N	550.634	2.710	5	40	KFBB	
O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1	408677523	CAEIXJBZNYDWQU-UHFFFAOYSA-N	519.382	2.948	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@H]1c1cc(OC)ccc1OC	409098695	OSTYIOWPELZJMS-HGKWLZTNSA-N	580.619	2.758	5	40	KFBB	
CCOC(=O)c1c(NC(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc2c1CC[C@H](C)C2	1917170	GSLPRWDHXWGZPI-LBPRGKRZSA-N	529.527	2.736	5	40	KFBB	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)cc21	408531246	MMTOEKMOQSAHNI-FMQZQXMHSA-N	503.443	2.738	5	40	KFBB	
COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	12617909	YZFCVYHPEPWBPE-NRFANRHFSA-N	503.467	2.993	5	40	KFBB	
C[C@H]1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccccc5[N+](=O)[O-])CC4)[nH]c(=O)c23)C1	25391603	MPDQJLHWCSOKNO-AWEZNQCLSA-N	503.606	2.524	5	40	KFBB	
O=c1[nH]c2cc3c(cc2cc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccccc1[N+](=O)[O-])OCCO3	1222159	ZGVBHOSPVRTZOK-QGZVFWFLSA-N	501.517	2.577	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	8425932	SORSKYVQARPXFP-WVWKGNOCSA-N	507.524	2.632	5	40	KFBB	
C[C@@H]1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccccc5[N+](=O)[O-])CC4)[nH]c(=O)c23)C1	25391597	MPDQJLHWCSOKNO-CQSZACIVSA-N	503.606	2.524	5	40	KFBB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	103096835	LGYNTFXBFIORAK-UHFFFAOYSA-N	535.428	2.569	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1)S(C)(=O)=O	260790029	NAYDAQLJAHHEDC-QGZVFWFLSA-N	550.609	2.985	5	40	KFBB	
CN(CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)S(=O)(=O)c1ccc(Cl)cc1	2653106	AGVZFFTWCWMTAO-UHFFFAOYSA-N	530.993	2.797	5	40	KFBB	
O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	34707046	JWCSMBWEARMOQM-UHFFFAOYSA-N	504.012	2.851	5	40	KFBB	
CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1=O	32991116	KVQMVRLBTFVAMP-MOPGFXCFSA-N	514.604	2.994	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222873387	FQZNVGBLQKLQJW-JOCHJYFZSA-N	520.608	2.701	5	40	KFBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc([N+](=O)[O-])c1O	409142187	BZOSEGWSMCOXRP-XDHOZWIPSA-N	514.516	2.821	5	40	KFBB	
CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224627560	YSBLWBGNIYDCKE-MRXNPFEDSA-N	511.000	2.956	5	40	KFBB	
CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	6014969	HLSAOZOCGWFKIZ-HSZRJFAPSA-N	532.561	2.818	5	40	KFBB	
COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3c3ccnc2c31	70708417	XFWYLOXKJJUBEL-UHFFFAOYSA-N	572.599	2.952	5	40	KFBB	biogenic
CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223541062	CRJATDSNSPYSTH-LJQANCHMSA-N	534.635	2.746	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)c(O[C@@H](C)C(=O)OC)c([N+](=O)[O-])c3)C2=O)o1	409398763	GKKKPHDOYFBMFV-IXIHQHOXSA-N	552.290	2.770	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	8397533	QZQCJACLQVFPCR-BGBDVBRQSA-N	588.529	2.944	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1Cl	408835597	OJKKSAFRPAOIHK-WSDUQJHMSA-N	544.929	2.974	5	40	KFBB	
COCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	19856418	SAEYJEBKAPLQTL-UHFFFAOYSA-N	512.544	2.805	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224535368	KIQOYPPKMHENAJ-QFIPXVFZSA-N	504.609	2.940	5	40	KFBB	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(=O)c3ccco3)CC2)[C@H]1c1cccc([N+](=O)[O-])c1	628976	LKDOFCWIIAOWEA-DEOSSOPVSA-N	538.557	2.597	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccccc1[N+](=O)[O-]	101217359	ZZCVTLQPMFIIIW-DPQBRJOUSA-N	531.525	2.963	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(O)cc3O)c(=O)n2[C@H]1c1ccccc1OC(C)C	408830609	PROJQWOMGAROLK-KIHONOKQSA-N	539.566	2.905	5	40	KFBB	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(CCCN4CCOCC4)c3nc12	2423704	XBSWUIUPARJLAY-UHFFFAOYSA-N	521.021	2.743	5	40	KFBB	
CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	223009042	GLXFSVAWDBNFBC-HNNXBMFYSA-N	541.424	2.677	5	40	KFBB	
CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224627597	YSBLWBGNIYDCKE-INIZCTEOSA-N	511.000	2.956	5	40	KFBB	
CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224956863	QVSIAPDUFGWFCV-QHCPKHFHSA-N	518.636	2.983	5	40	KFBB	
O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	9553349	YKDVTHVWGJWAHW-UHFFFAOYSA-N	508.519	2.887	5	40	KFBB	
Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	14276410	RWVODASUWHMOLF-UHFFFAOYSA-N	513.605	2.882	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccc(OC)c(OC)c1	101177089	QOZCZSUZMSAWMY-UXCNEVMTSA-N	532.553	2.763	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(C)cc1	103725562	OXOUDQOULCFNEW-QKSFETHESA-N	548.621	2.852	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@@H]1c1ccc(OC)cc1	100307057	KMMGYJQREGHYGH-OWXSRONMSA-N	564.620	2.552	5	40	KFBB	
O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)Nc1ccc(F)cc1[N+](=O)[O-]	103057128	BOGUGCWBYHXEDL-UHFFFAOYSA-N	550.565	2.541	5	40	KFBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2	103059954	CFNRSPPEJQHOPI-INIZCTEOSA-N	521.935	2.857	5	40	KFBB	
Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1S(=O)(=O)N1CCOCC1	102996552	ODFLZKBTKZAUQI-UHFFFAOYSA-N	560.610	2.977	5	40	KFBB	
CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2	103059966	ACXPIZIRTZXNBA-KRWDZBQOSA-N	523.951	2.688	5	40	KFBB	
O=c1c2ccc3c(=O)n(Nc4ccc([N+](=O)[O-])cc4)c(=O)c4ccc(c(=O)n1Nc1ccc([N+](=O)[O-])cc1)c2c34	103756336	PITXZCHIGIIENV-UHFFFAOYSA-N	538.432	2.632	5	40	KFBB	
CC[C@H](C(=O)NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	224411673	BUZPUDBHQWZHIK-HSZRJFAPSA-N	582.701	2.818	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)c(OC)c3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409346574	OZJKSFFXGMTXOD-WYWXSHKMSA-N	509.540	2.729	5	40	KFBB	
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1	103073360	JFONCGAGZXFKBP-UHFFFAOYSA-N	552.993	2.665	5	40	KFBB	
O=C1[C@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1	103519492	JDDQEJKQYDPUEV-OYSWMMLKSA-N	502.458	2.607	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@@H]1c1ccc(OCC(=O)OC)c(OCC)c1	409032248	MCHCPAXFQRMOIJ-WDONWYDGSA-N	581.603	2.657	5	40	KFBB	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCO2	8398146	RHRFWJZNBWOZBQ-UHFFFAOYSA-N	507.452	2.724	5	40	KFBB	
O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	21123721	WDWPWUDJMZUXNV-UHFFFAOYSA-N	507.469	2.895	5	40	KFBB	
CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cc([N+](=O)[O-])c(OC)cc4OC)c(=O)n32)cc1OCC	408933442	JQPQOOPTNQOTKU-PCZPJENVSA-N	569.592	2.741	5	40	KFBB	
CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224829434	OYSZCSZQOFURIE-INIZCTEOSA-N	511.000	2.958	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1OCC	408907876	PTKRAHDJBMCMJZ-IMEWXKHHSA-N	569.592	2.828	5	40	KFBB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cc([N+](=O)[O-])c(OC)cc3OC)c2=O)=N1	409032499	JDTYDGZNWFBSIO-ZRELAVNMSA-N	509.540	2.724	5	40	KFBB	
O=C(Nc1ccc(F)c(F)c1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	14361255	RZEHHTVQIICAHK-UHFFFAOYSA-N	510.519	2.749	5	40	KFBB	
COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	408593691	QXZGUPCIJGCQLM-VIZOYTHASA-N	506.265	2.922	5	40	KFBB	
COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Br)cc([N+](=O)[O-])c3O[C@H](C)C(=O)O)C2=O)o1	409399933	MCIRFAKNQGZQFS-JHFYRWCBSA-N	538.263	2.682	5	40	KFBB	
CCOC(=O)C1=C(C)C2[C@@H]3C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	8397536	QZQCJACLQVFPCR-YFIVPJIISA-N	588.529	2.944	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1	409177340	DWJQPLCCVRYFQY-MRCZTLKWSA-N	524.511	2.629	5	40	KFBB	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(CCCOC(C)C)c3nc12	101100501	NQSAGALCLPSLMY-UHFFFAOYSA-N	503.559	2.911	5	40	KFBB	
CCOC(=O)N1CCN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)CC1	19891193	VVTWSMGDFYRTLM-UHFFFAOYSA-N	501.587	2.765	5	40	KFBB	
O=C(NC(=S)Nc1ccc(I)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	22837367	LTJBZWDXRXJSSE-UHFFFAOYSA-N	513.317	2.558	5	40	KFBB	
O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(C(F)(F)F)ccc1Cl	408656383	NMTZTJLGJQTCEN-LLVKDONJSA-N	528.827	2.942	5	40	KFBB	
CC1=C(C(=O)OCCNC(=O)c2cccnc2)[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCNC(=O)c2ccccc2O)=C(C)N1	101913327	GOQXPGJJKHLULM-MUUNZHRXSA-N	629.626	2.877	5	40	KFBB	
CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	222926867	JKLJBHHHHHNJHO-OAQYLSRUSA-N	534.635	2.744	5	40	KFBB	
CCOC(=O)N1CCN(C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])NC(=O)c2ccccc2)CC1	4489190	HOZZZEUANHSRFR-RGEXLXHISA-N	512.519	2.684	5	40	KFBB	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2ccccc2)(C(=O)O)N[C@H]3c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1	245284687	UACFPAJHSHRPFJ-KYALDGGBSA-N	545.504	2.818	5	40	KFBB	
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(Cc4ccccc4)C(=O)N=C3O)[C@H]2C1	16995426	WUVREEYJIDQABI-NLFFAJNJSA-N	507.503	2.903	5	40	KFBB	
CC(=O)N[C@@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@@H]1OC(=O)c1ccccc1	97973251	PGMLFNAQJLVCQA-UXKLQOBYSA-N	550.520	2.647	5	40	KFBB	in-vitro
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(OC)cc1	101177037	OCMVSUSTBUTUHH-OAGTXPOXSA-N	502.527	2.755	5	40	KFBB	
CCOC(=O)[C@@H](C)Oc1c(OCC)cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1[N+](=O)[O-]	409398211	BXIHNCKKECYRFZ-WPBJZHHJSA-N	531.474	2.796	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	2654827	FXMMAAPHNIIOKB-AWEZNQCLSA-N	503.489	2.859	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc(OCC)c3O)c(=O)n2[C@@H]1c1ccccc1	34868408	PTIGNNFULGUZCN-JAORQVBISA-N	509.540	2.811	5	40	KFBB	
COc1ccc(C)cc1NC(=O)COC(=O)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(C)C	102778589	WUQYLRXWWXKJGN-DEOSSOPVSA-N	564.617	2.551	5	40	KFBB	
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)/C=C\c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1	10256457	WPWOPHHGEAZSFK-XGICHPGQSA-N	500.519	2.879	5	40	KFBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2nc3nonc3nc2Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	100926201	SXJIUSUAMRIIET-UHFFFAOYSA-N	574.295	2.949	5	40	KFBB	
COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC	101330018	ITYQVFFJFFGCBP-UHFFFAOYSA-N	532.553	2.886	5	40	KFBB	
O=c1[nH]c2cc3c(cc2cc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccccc1[N+](=O)[O-])OCCO3	6446152	ZGVBHOSPVRTZOK-KRWDZBQOSA-N	501.517	2.577	5	40	KFBB	
CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	225438124	RDUUOUFDKUUZGB-JOCHJYFZSA-N	504.609	2.737	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260990102	CLRXAJKBPPJTHZ-SJORKVTESA-N	508.572	2.832	5	40	KFBB	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])c(N4CCOCC4)cc3N3CCOC[C@@H]32)C(=O)N1c1cccc2ccccc12	98005898	KPVDIQMEAITLNG-IRPSRAIASA-N	557.563	2.615	5	40	KFBB	
Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1	408656350	NKVQTOPOWZYILU-CYBMUJFWSA-N	553.753	2.994	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)c(=O)n2[C@H]1c1ccc(C)cc1	103725566	OXOUDQOULCFNEW-ZDQFFALBSA-N	548.621	2.852	5	40	KFBB	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1ccc(OC)cc1OC	101177053	POUCTFMCIYADGA-JJJNVUDDSA-N	532.553	2.763	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	223113839	KALDPDSYTVAFGO-DLBZAZTESA-N	538.598	2.841	5	40	KFBB	
O=C(COc1ccc(Cl)cc1Cl)NC[C@@]12C=C[C@H](O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	100041625	WSLIXNUYFJKJIW-JBYGMCGMSA-N	518.309	2.910	5	40	KFBB	
COc1ccc(CCn2c(=N)c(C(=O)NCc3cccnc3)cc3c(=O)n4ccccc4nc32)cc1OC	100930087	CWXFYRXQDBQVRC-UHFFFAOYSA-N	510.554	2.714	5	40	KFBB	
CC1CCN(c2ccc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCN(C)CC3)cc2[N+](=O)[O-])CC1	103014062	RDGGMLSIPORXDW-UHFFFAOYSA-N	586.715	2.856	5	40	KFBB	
COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	409110987	HRGCHZDWJUDBSR-UHFFFAOYSA-N	578.625	2.842	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccs1	6487675	JNTFBQIKYNKUDM-CYEGBWLXSA-N	515.569	2.785	5	40	KFBB	
CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n32)cc1OCC	408932875	FIUMDYRJDCYHHR-BYUJNSPJSA-N	509.540	2.724	5	40	KFBB	
Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c12	6443836	HTVRGDOQWTYOKH-WIOPSUGQSA-N	530.589	2.822	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC	12599690	FPKVAQKKBWGESY-UHFFFAOYSA-N	521.548	2.972	5	40	KFBB	
CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	260929964	HNHDGUWTYGCGFW-ROUUACIJSA-N	520.608	2.701	5	40	KFBB	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O	224192399	DDLUYEXEPDNBDU-IBGZPJMESA-N	534.635	2.867	5	40	KFBB	
C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	224686253	WGACBEMQIWCDPK-QGZVFWFLSA-N	520.583	2.976	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1	409337882	YPKFIMSYHLADIZ-VMOHIOPYSA-N	584.563	2.728	5	40	KFBB	
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1	8439149	QYNNSABMVCXUBW-WOJGMQOQSA-N	500.489	2.686	5	40	KFBB	
COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1OC	9009095	KYCWMNFGMCEOHW-UHFFFAOYSA-N	504.503	2.522	5	40	KFBB	
COc1ccc(N2C(=O)/C(=C\NNS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c3ccccc3C2=O)cc1OC	17576661	XYEPPNLYJKMVIO-ZHZULCJRSA-N	538.538	2.931	5	40	KFBB	
Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)n1	97982462	PANSBUZYNOIDHC-UHFFFAOYSA-N	582.620	2.811	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1	408987911	PMRYRPLSQGKLHC-IYMWYRQMSA-N	584.563	2.728	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)n2[C@@H]1c1ccccc1OC	409101464	YJNFAKQCBRYXFC-RBRLEXCSSA-N	604.733	2.772	5	40	KFBB	
CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	222918942	IDFIERJHZXJWGU-MRXNPFEDSA-N	511.000	2.876	5	40	KFBB	
CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccccc1OC	409098551	QJYIAUQMASBNNF-FNUHDPNESA-N	567.580	2.634	5	40	KFBB	
O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	9905993	HQHCODOHPSNSAW-UHFFFAOYSA-N	507.458	2.816	5	40	KFBB	
C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	222882093	QQDITFFFCDUAEI-INIZCTEOSA-N	508.572	2.832	5	40	KFBB	
CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225364919	BSUXLYJKAJXZOA-ZWKOTPCHSA-N	550.634	2.710	5	40	KFBB	
CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(s/c(=C\c4ccc([N+](=O)[O-])cc4)c3=O)=N[C@]12c1ccccc1	33355401	YUWYXVNKMWKBNT-KYDOHJILSA-N	526.578	2.527	5	40	KFBB	
CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	225399776	BMEQFHZFLRHACM-QZTJIDSGSA-N	550.634	2.710	5	40	KFBB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OCC)cc1	408834602	VNXFKTKXDPELQD-JCAJYURWSA-N	554.537	2.719	5	40	KFBB