smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000137493155	568845463	/nfs/dbraw/zinc/84/54/63/568845463.db2.gz	UEWFDSYOPMVXMZ-BHDDXSALSA-N	-1	3	447.422	4.093	50	5		IIBAHM
C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1	ZINC000009272172	569294918	/nfs/dbraw/zinc/29/49/18/569294918.db2.gz	UOSGPBIVRHWILZ-PQNGQFLHSA-N	-1	3	429.432	4.036	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009234023	569513891	/nfs/dbraw/zinc/51/38/91/569513891.db2.gz	ZVQDMUNZKRPRMG-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1cc(C)c(NC(=O)C[N-]c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1	ZINC000032829040	556413540	/nfs/dbraw/zinc/41/35/40/556413540.db2.gz	JNNYMXRALKNFSU-UHFFFAOYSA-N	-1	3	426.351	4.498	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1	ZINC000100841314	557190940	/nfs/dbraw/zinc/19/09/40/557190940.db2.gz	XOZOKZRQTDZXOH-CTNGQTDRSA-N	-1	3	446.850	4.031	50	5		IIBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@H](C)C2	ZINC000002091837	569178544	/nfs/dbraw/zinc/17/85/44/569178544.db2.gz	ZXDBAOLIMGMVNG-JTQLQIEISA-N	-1	3	433.442	4.118	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c(C)c1	ZINC000009246310	569294734	/nfs/dbraw/zinc/29/47/34/569294734.db2.gz	WOOZMUQLPGJANC-UHFFFAOYSA-N	-1	3	425.466	4.265	50	5		IIBAHM
O=C(CSc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1	ZINC000002998246	569434948	/nfs/dbraw/zinc/43/49/48/569434948.db2.gz	RKLNPTWCSDLJKI-UHFFFAOYSA-N	-1	3	434.886	4.327	50	5		IIBAHM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1	ZINC000003315962	569445711	/nfs/dbraw/zinc/44/57/11/569445711.db2.gz	FKFHANCLMIEDIU-UHFFFAOYSA-N	-1	3	445.884	4.230	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1	ZINC000013751966	556724922	/nfs/dbraw/zinc/72/49/22/556724922.db2.gz	CLIMOTQQSMRZOD-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000017723622	557112420	/nfs/dbraw/zinc/11/24/20/557112420.db2.gz	UEWFDSYOPMVXMZ-BDTNDASRSA-N	-1	3	447.422	4.093	50	5		IIBAHM
COC(=O)c1sc(-c2ccccc2)cc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000011612205	557208742	/nfs/dbraw/zinc/20/87/42/557208742.db2.gz	GEKGUBXDGZVUPK-UHFFFAOYSA-N	-1	3	427.394	4.270	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000018057650	557233967	/nfs/dbraw/zinc/23/39/67/557233967.db2.gz	ZVQDMUNZKRPRMG-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OCC)c1C	ZINC000008896084	569483849	/nfs/dbraw/zinc/48/38/49/569483849.db2.gz	DMZIVBOKXGQXQM-UHFFFAOYSA-N	-1	3	440.861	4.224	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1	ZINC000009088270	569500839	/nfs/dbraw/zinc/50/08/39/569500839.db2.gz	NHDGFTKGJFLBOM-FPOVZHCZSA-N	-1	3	446.850	4.031	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000229945681	556411754	/nfs/dbraw/zinc/41/17/54/556411754.db2.gz	IVBAGKFXHHRVFK-YTFSRNRJSA-N	-1	3	443.459	4.263	50	5		IIBAHM
COc1ccc(CN([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1	ZINC000100673196	556642847	/nfs/dbraw/zinc/64/28/47/556642847.db2.gz	XYPQCWDBERHMLC-UHFFFAOYSA-N	-1	3	439.384	4.454	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000102710661	557364525	/nfs/dbraw/zinc/36/45/25/557364525.db2.gz	ZQCIRMREFLSTAI-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
COc1ccc2cc(-c3c4cnn(C)c4nc4c5ccc([O-])cc5oc43)c(=O)n(C)c2c1	ZINC000253413186	569266028	/nfs/dbraw/zinc/26/60/28/569266028.db2.gz	UBUFGWFZUJCDOY-UHFFFAOYSA-N	-1	3	426.432	4.101	50	5	biogenic	IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000227236877	569431909	/nfs/dbraw/zinc/43/19/09/569431909.db2.gz	UEIHFDSZPPKBMU-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1cccc2c([O-])c3c(=O)cc(OC(=O)CCCNC(=O)OC(C)(C)C)cc-3oc12	ZINC000009129076	569505655	/nfs/dbraw/zinc/50/56/55/569505655.db2.gz	IKOZWTXPXRYQAG-UHFFFAOYSA-N	-1	3	427.453	4.171	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102754408	557383940	/nfs/dbraw/zinc/38/39/40/557383940.db2.gz	WKNBXXKEUJIMDM-XPWALMASSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1	ZINC000103528960	557438780	/nfs/dbraw/zinc/43/87/80/557438780.db2.gz	NHDGFTKGJFLBOM-PZJWPPBQSA-N	-1	3	446.850	4.031	50	5		IIBAHM
COC(=O)[N-]C(=S)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1	ZINC000005318648	568940256	/nfs/dbraw/zinc/94/02/56/568940256.db2.gz	GGUNTXWFAPEIDC-UHFFFAOYSA-N	-1	3	428.477	4.379	50	5		IIBAHM
O=C(NC(=S)Nc1ccc([O-])c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002064361	568941123	/nfs/dbraw/zinc/94/11/23/568941123.db2.gz	LSWKPZRDXFAKHY-UHFFFAOYSA-N	-1	3	434.433	4.235	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]1c1cccs1	ZINC000239377810	569138953	/nfs/dbraw/zinc/13/89/53/569138953.db2.gz	OCTBGNLBMWPCNX-UFYCRDLUSA-N	-1	3	435.461	4.016	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009235318	569514092	/nfs/dbraw/zinc/51/40/92/569514092.db2.gz	LCMWRHVBRKMAMK-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
COC(=O)CCCCCCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000015304428	522985858	/nfs/dbraw/zinc/98/58/58/522985858.db2.gz	HDEFVENRBJNRRZ-UHFFFAOYSA-N	-1	3	434.942	4.210	50	5		IIBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Sc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)n1	ZINC000008456308	556185794	/nfs/dbraw/zinc/18/57/94/556185794.db2.gz	BHXKYYMRGVOCFF-UHFFFAOYSA-N	-1	3	433.833	4.293	50	5		IIBAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101092696	557249628	/nfs/dbraw/zinc/24/96/28/557249628.db2.gz	UEWFDSYOPMVXMZ-VSKRKVRLSA-N	-1	3	447.422	4.093	50	5		IIBAHM
CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000102710976	557366941	/nfs/dbraw/zinc/36/69/41/557366941.db2.gz	BAOOYJHBRZQXGB-YTFSRNRJSA-N	-1	3	443.459	4.208	50	5		IIBAHM
CCOC(=O)c1c(-c2ccco2)csc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002090844	569178711	/nfs/dbraw/zinc/17/87/11/569178711.db2.gz	SFSOSVAVJSRYFV-UHFFFAOYSA-N	-1	3	431.382	4.254	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1C	ZINC000002818883	569422830	/nfs/dbraw/zinc/42/28/30/569422830.db2.gz	QACSILQFISIZAX-UHFFFAOYSA-N	-1	3	425.466	4.265	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000229859591	569461930	/nfs/dbraw/zinc/46/19/30/569461930.db2.gz	IPOJZKGPOKENFE-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000245312617	569502897	/nfs/dbraw/zinc/50/28/97/569502897.db2.gz	WKNBXXKEUJIMDM-DNVJHFABSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000013646132	556705476	/nfs/dbraw/zinc/70/54/76/556705476.db2.gz	USSFWXSVRRDCIU-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000102710978	557367607	/nfs/dbraw/zinc/36/76/07/557367607.db2.gz	BAOOYJHBRZQXGB-DNVJHFABSA-N	-1	3	443.459	4.208	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000102766007	557381319	/nfs/dbraw/zinc/38/13/19/557381319.db2.gz	IVBAGKFXHHRVFK-XPWALMASSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000102750489	557382866	/nfs/dbraw/zinc/38/28/66/557382866.db2.gz	KFNBYDOZONUQFI-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000137793062	568892866	/nfs/dbraw/zinc/89/28/66/568892866.db2.gz	ARBNQJAWRMSWEV-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000137918990	568897235	/nfs/dbraw/zinc/89/72/35/568897235.db2.gz	XXNWPIAJAWISGN-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1nc(CCNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])c(C)o1	ZINC000089614188	569159809	/nfs/dbraw/zinc/15/98/09/569159809.db2.gz	CPLSYUBETRFONC-UHFFFAOYSA-N	-1	3	444.513	4.272	50	5		IIBAHM
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)[N-]C2CCCCC2)c1	ZINC000013372149	569314494	/nfs/dbraw/zinc/31/44/94/569314494.db2.gz	BDSRAFTXYYECLL-UHFFFAOYSA-N	-1	3	437.905	4.112	50	5		IIBAHM
Cc1nc2scc(-c3ccccc3)c2c(=O)n1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000040051907	569484490	/nfs/dbraw/zinc/48/44/90/569484490.db2.gz	ZKKFSQAOAPGKFO-UHFFFAOYSA-N	-1	3	440.868	4.379	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000245255287	569501404	/nfs/dbraw/zinc/50/14/04/569501404.db2.gz	HBXSYPXOUMPLMU-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(C(=O)CSc2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)c(C)c1	ZINC000035924450	526050488	/nfs/dbraw/zinc/05/04/88/526050488.db2.gz	OGWNFCZFDQBEPK-UHFFFAOYSA-N	-1	3	428.495	4.290	50	5		IIBAHM
CCOC(=O)c1sc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)OCC)c1C	ZINC000001776191	555713998	/nfs/dbraw/zinc/71/39/98/555713998.db2.gz	GPHYMBDVSFTKTF-UHFFFAOYSA-N	-1	3	440.861	4.224	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000013514182	556667062	/nfs/dbraw/zinc/66/70/62/556667062.db2.gz	IPOJZKGPOKENFE-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1Cl	ZINC000018117736	557238252	/nfs/dbraw/zinc/23/82/52/557238252.db2.gz	ALTKAENICPQOPG-FPOVZHCZSA-N	-1	3	446.850	4.031	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000102759319	557384083	/nfs/dbraw/zinc/38/40/83/557384083.db2.gz	ZVQDMUNZKRPRMG-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000001155158	568662684	/nfs/dbraw/zinc/66/26/84/568662684.db2.gz	IHJGGLLRDNYFSI-UHFFFAOYSA-N	-1	3	441.465	4.047	50	5		IIBAHM
O=C([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc([N+](=O)[O-])cc1	ZINC000100971988	557208937	/nfs/dbraw/zinc/20/89/37/557208937.db2.gz	YUXFRWDIODLSSG-NRFANRHFSA-N	-1	3	438.447	4.495	50	5		IIBAHM
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102735683	557373345	/nfs/dbraw/zinc/37/33/45/557373345.db2.gz	KQUUKWFYSLEOIV-DNVJHFABSA-N	-1	3	443.459	4.208	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000102763619	557380950	/nfs/dbraw/zinc/38/09/50/557380950.db2.gz	QZSZKPFFTURYGA-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000102754402	557383797	/nfs/dbraw/zinc/38/37/97/557383797.db2.gz	WKNBXXKEUJIMDM-RJGXRXQPSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1	ZINC000015978335	568861720	/nfs/dbraw/zinc/86/17/20/568861720.db2.gz	CEVLTWRGLNVYNZ-UHFFFAOYSA-N	-1	3	445.884	4.230	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000137753640	568886284	/nfs/dbraw/zinc/88/62/84/568886284.db2.gz	KFNBYDOZONUQFI-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(Nc3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1	ZINC000089453720	568925352	/nfs/dbraw/zinc/92/53/52/568925352.db2.gz	VRDXVMDYBQUFPN-UHFFFAOYSA-N	-1	3	429.454	4.156	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000102719792	557375665	/nfs/dbraw/zinc/37/56/65/557375665.db2.gz	ZFFMMHDTLNTBLD-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1	ZINC000009301284	569295092	/nfs/dbraw/zinc/29/50/92/569295092.db2.gz	UOSGPBIVRHWILZ-YZUZCNPQSA-N	-1	3	429.432	4.036	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1	ZINC000013751964	556724551	/nfs/dbraw/zinc/72/45/51/556724551.db2.gz	CLIMOTQQSMRZOD-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])s1	ZINC000015437199	568762163	/nfs/dbraw/zinc/76/21/63/568762163.db2.gz	VZJNRRAHXVDTBI-UHFFFAOYSA-N	-1	3	437.886	4.363	50	5		IIBAHM
Cc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000027527567	569263374	/nfs/dbraw/zinc/26/33/74/569263374.db2.gz	FIXNKVXXGHTSDF-UHFFFAOYSA-N	-1	3	434.839	4.317	50	5		IIBAHM
O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000009273418	569294959	/nfs/dbraw/zinc/29/49/59/569294959.db2.gz	UTKNVCDEPVGHLD-UHFFFAOYSA-N	-1	3	447.476	4.279	50	5		IIBAHM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1Cl	ZINC000225396014	569297200	/nfs/dbraw/zinc/29/72/00/569297200.db2.gz	ZHESTHHHYDJXQE-UHFFFAOYSA-N	-1	3	426.075	4.465	50	5		IIBAHM
CCOc1cc(-c2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)o2)cc(OCC)c1OCC	ZINC000009274744	569518222	/nfs/dbraw/zinc/51/82/22/569518222.db2.gz	MXFIVASDLCSROW-UHFFFAOYSA-N	-1	3	442.428	4.093	50	5		IIBAHM
COc1ccc([N-]C(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1	ZINC000012855801	524666050	/nfs/dbraw/zinc/66/60/50/524666050.db2.gz	WCRYLJRYXXIPLY-UHFFFAOYSA-N	-1	3	437.477	4.309	50	5		IIBAHM
O=c1c2c[n-]nc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1	ZINC000020663347	527468751	/nfs/dbraw/zinc/46/87/51/527468751.db2.gz	RGIGETCTJKZSLW-UHFFFAOYSA-N	-1	3	447.398	4.328	50	5		IIBAHM
O=c1c2cn[n-]c2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1	ZINC000020663347	527468761	/nfs/dbraw/zinc/46/87/61/527468761.db2.gz	RGIGETCTJKZSLW-UHFFFAOYSA-N	-1	3	447.398	4.328	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000229898808	556404798	/nfs/dbraw/zinc/40/47/98/556404798.db2.gz	OCOMGUVWMJYQJY-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]1c1cccs1	ZINC000136495414	556807858	/nfs/dbraw/zinc/80/78/58/556807858.db2.gz	OCTBGNLBMWPCNX-AABGKKOBSA-N	-1	3	435.461	4.016	50	5		IIBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1	ZINC000000652419	557125628	/nfs/dbraw/zinc/12/56/28/557125628.db2.gz	DTQVWNLLGSGFKU-UHFFFAOYSA-N	-1	3	425.466	4.265	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]1c1cccs1	ZINC000101880189	557304679	/nfs/dbraw/zinc/30/46/79/557304679.db2.gz	OCTBGNLBMWPCNX-AQNXPRMDSA-N	-1	3	435.461	4.016	50	5		IIBAHM
CC(C)n1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1ccc2c(c1)n(C)c(=O)n2C	ZINC000095478936	569373725	/nfs/dbraw/zinc/37/37/25/569373725.db2.gz	XBXKKAOOUQSBBL-UHFFFAOYSA-N	-1	3	427.464	4.475	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1Cl	ZINC000227243677	569431937	/nfs/dbraw/zinc/43/19/37/569431937.db2.gz	KFNBYDOZONUQFI-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F	ZINC000012519870	525506149	/nfs/dbraw/zinc/50/61/49/525506149.db2.gz	UCSWIJSLPIIUNP-VIFPVBQESA-N	-1	3	430.820	4.033	50	5		IIBAHM
CCOc1ccc([N-]C(=S)NC(=O)c2cc(SC)ccc2Cl)c([N+](=O)[O-])c1	ZINC000008450891	556181806	/nfs/dbraw/zinc/18/18/06/556181806.db2.gz	SJUDEWAICTXWST-UHFFFAOYSA-N	-1	3	425.919	4.496	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000229889021	556339038	/nfs/dbraw/zinc/33/90/38/556339038.db2.gz	ZVQDMUNZKRPRMG-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl	ZINC000013757839	556727693	/nfs/dbraw/zinc/72/76/93/556727693.db2.gz	ZZNCQVJBBNCZSD-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000137330978	568819455	/nfs/dbraw/zinc/81/94/55/568819455.db2.gz	USSFWXSVRRDCIU-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1c(C(=O)OC(C)C)sc([N-]C(=O)c2ccccc2[N+](=O)[O-])c1C(=O)OC(C)C	ZINC000002082080	569177297	/nfs/dbraw/zinc/17/72/97/569177297.db2.gz	IDLQYKFZFBPJTP-UHFFFAOYSA-N	-1	3	434.470	4.347	50	5		IIBAHM
O=C([N-]c1ncc([N+](=O)[O-])s1)c1nc(SCc2ccc(F)cc2)ncc1Cl	ZINC000008868333	569480362	/nfs/dbraw/zinc/48/03/62/569480362.db2.gz	KTEZUQBVDRCRLT-UHFFFAOYSA-N	-1	3	425.854	4.178	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009088397	569500832	/nfs/dbraw/zinc/50/08/32/569500832.db2.gz	ZQCIRMREFLSTAI-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccccc1Cl	ZINC000013757837	556727760	/nfs/dbraw/zinc/72/77/60/556727760.db2.gz	ZZNCQVJBBNCZSD-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000102710439	557363857	/nfs/dbraw/zinc/36/38/57/557363857.db2.gz	NFJLOKYKERBPCB-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000102759730	557384319	/nfs/dbraw/zinc/38/43/19/557384319.db2.gz	LCMWRHVBRKMAMK-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1	ZINC000103530230	557438610	/nfs/dbraw/zinc/43/86/10/557438610.db2.gz	XOZOKZRQTDZXOH-FPOVZHCZSA-N	-1	3	446.850	4.031	50	5		IIBAHM
COc1ccc(NC(=O)CSc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1	ZINC000034897763	568739185	/nfs/dbraw/zinc/73/91/85/568739185.db2.gz	NMZZMVONAOXGMS-UHFFFAOYSA-N	-1	3	435.462	4.068	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]1c1ccc(F)cc1	ZINC000238900291	569137756	/nfs/dbraw/zinc/13/77/56/569137756.db2.gz	IOVYATFMQVVEGT-FKBYEOEOSA-N	-1	3	447.422	4.093	50	5		IIBAHM
Cc1ccc(/C=C/S(=O)(=O)[N-]CC(=O)OCc2nc3ccccc3c3ccccc23)cc1	ZINC000009127268	569293977	/nfs/dbraw/zinc/29/39/77/569293977.db2.gz	NIIDDOCKNGOOKA-CCEZHUSRSA-N	-1	3	446.528	4.330	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCCn3ccnc3)c([N+](=O)[O-])c2)c(C)c1	ZINC000095460551	569369656	/nfs/dbraw/zinc/36/96/56/569369656.db2.gz	HGVNXDFHAUEKIC-UHFFFAOYSA-N	-1	3	443.529	4.101	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000230013242	569417429	/nfs/dbraw/zinc/41/74/29/569417429.db2.gz	PKIPREABKFBABA-YTFSRNRJSA-N	-1	3	443.459	4.263	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCCc3cccc(O)c3)c([N+](=O)[O-])c2)c(C)c1	ZINC000058026341	569445478	/nfs/dbraw/zinc/44/54/78/569445478.db2.gz	CJNZOFJJXXACIT-UHFFFAOYSA-N	-1	3	441.509	4.373	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000013749026	556724512	/nfs/dbraw/zinc/72/45/12/556724512.db2.gz	ARBNQJAWRMSWEV-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccc([N+](=O)[O-])cc1	ZINC000100971990	557208859	/nfs/dbraw/zinc/20/88/59/557208859.db2.gz	YUXFRWDIODLSSG-OAQYLSRUSA-N	-1	3	438.447	4.495	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1	ZINC000103528951	557438690	/nfs/dbraw/zinc/43/86/90/557438690.db2.gz	NHDGFTKGJFLBOM-TZIWHRDSSA-N	-1	3	446.850	4.031	50	5		IIBAHM
Cc1cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)ccc1[N+](=O)[O-]	ZINC000027527483	569263168	/nfs/dbraw/zinc/26/31/68/569263168.db2.gz	YGOHBKFKCGPMAT-UHFFFAOYSA-N	-1	3	434.839	4.317	50	5		IIBAHM
Cc1cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(Cl)cc2)ccc1[N+](=O)[O-]	ZINC000027527512	569263224	/nfs/dbraw/zinc/26/32/24/569263224.db2.gz	PJXXLMCCDZKPMQ-UHFFFAOYSA-N	-1	3	434.839	4.317	50	5		IIBAHM
O=C([N-]n1c(=O)c2ccccc2nc1-c1cccs1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000027528037	569263466	/nfs/dbraw/zinc/26/34/66/569263466.db2.gz	QYMDVRSQWPSSKE-UHFFFAOYSA-N	-1	3	426.841	4.071	50	5		IIBAHM
Cc1cc(C(F)(F)F)nc2sc(C(=O)[N-]c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(N)c21	ZINC000008442312	569464524	/nfs/dbraw/zinc/46/45/24/569464524.db2.gz	ZBWLZCHURWILGN-UHFFFAOYSA-N	-1	3	441.347	4.274	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1	ZINC000245255288	569501371	/nfs/dbraw/zinc/50/13/71/569501371.db2.gz	HBXSYPXOUMPLMU-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000229952541	556412850	/nfs/dbraw/zinc/41/28/50/556412850.db2.gz	UEIHFDSZPPKBMU-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013807388	556743541	/nfs/dbraw/zinc/74/35/41/556743541.db2.gz	QZSZKPFFTURYGA-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C([N-]c1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1cccc([N+](=O)[O-])c1	ZINC000100872389	557193871	/nfs/dbraw/zinc/19/38/71/557193871.db2.gz	NKCZYSJETQYJNE-OAQYLSRUSA-N	-1	3	438.447	4.495	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000018057962	557233900	/nfs/dbraw/zinc/23/39/00/557233900.db2.gz	LCMWRHVBRKMAMK-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000018053888	557233983	/nfs/dbraw/zinc/23/39/83/557233983.db2.gz	ZFFMMHDTLNTBLD-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1cccc(Cl)c1	ZINC000137802080	568893214	/nfs/dbraw/zinc/89/32/14/568893214.db2.gz	CLIMOTQQSMRZOD-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCOC(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OCC)c1C	ZINC000001940275	568923620	/nfs/dbraw/zinc/92/36/20/568923620.db2.gz	JDQROWJXNBLSFG-UHFFFAOYSA-N	-1	3	440.861	4.224	50	5		IIBAHM
O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000009646690	569556357	/nfs/dbraw/zinc/55/63/57/569556357.db2.gz	XFMUMIWUSIISPV-UHFFFAOYSA-N	-1	3	444.523	4.296	50	5		IIBAHM
CCOC(=O)c1sc2nc(C)cc(COC)c2c1[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000012413680	521618775	/nfs/dbraw/zinc/61/87/75/521618775.db2.gz	PCMOBVZOSYXOLP-UHFFFAOYSA-N	-1	3	429.454	4.088	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000229879717	556334942	/nfs/dbraw/zinc/33/49/42/556334942.db2.gz	WKNBXXKEUJIMDM-YTFSRNRJSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=C([N-]c1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1cccc([N+](=O)[O-])c1	ZINC000100872386	557193811	/nfs/dbraw/zinc/19/38/11/557193811.db2.gz	NKCZYSJETQYJNE-NRFANRHFSA-N	-1	3	438.447	4.495	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102711035	557373765	/nfs/dbraw/zinc/37/37/65/557373765.db2.gz	PKIPREABKFBABA-XPWALMASSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1	ZINC000016115467	568870770	/nfs/dbraw/zinc/87/07/70/568870770.db2.gz	OQJSSNSVOIAJOU-UHFFFAOYSA-N	-1	3	431.857	4.301	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]1c1ccc(F)cc1	ZINC000238900292	569137734	/nfs/dbraw/zinc/13/77/34/569137734.db2.gz	IOVYATFMQVVEGT-VSKRKVRLSA-N	-1	3	447.422	4.093	50	5		IIBAHM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N[C@@H]1CCCC[C@H]1CO	ZINC000170615829	569146578	/nfs/dbraw/zinc/14/65/78/569146578.db2.gz	MSLCNELWDMHHQK-XJKSGUPXSA-N	-1	3	439.921	4.012	50	5		IIBAHM
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(S(C)(=O)=O)cc1	ZINC000079481938	569330989	/nfs/dbraw/zinc/33/09/89/569330989.db2.gz	OXYQOFBAOKLJDP-UHFFFAOYSA-N	-1	3	437.477	4.393	50	5		IIBAHM
CC(C)Nc1nc([N-]c2ccc([N+](=O)[O-])cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000003877478	569456816	/nfs/dbraw/zinc/45/68/16/569456816.db2.gz	GWQXNPMXSAJYLH-UHFFFAOYSA-N	-1	3	440.304	4.216	50	5		IIBAHM
O=C(CCCNC(=O)OCc1ccccc1)Oc1cc(=O)c2c([O-])c3ccccc3oc-2c1	ZINC000009128738	569505494	/nfs/dbraw/zinc/50/54/94/569505494.db2.gz	CHECRCDYSUHTNQ-UHFFFAOYSA-N	-1	3	447.443	4.264	50	5		IIBAHM
O=[N+]([O-])c1cc(Cl)ccc1NCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000009720931	569563306	/nfs/dbraw/zinc/56/33/06/569563306.db2.gz	MCIBVZNMMAXJNB-UHFFFAOYSA-N	-1	3	438.720	4.336	50	5		IIBAHM
COc1ccc([N-]C(=S)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000012380542	524666143	/nfs/dbraw/zinc/66/61/43/524666143.db2.gz	QJEPSNQEHCPZIA-SECBINFHSA-N	-1	3	444.296	4.191	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000136049525	556683861	/nfs/dbraw/zinc/68/38/61/556683861.db2.gz	QZSZKPFFTURYGA-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C([N-]c1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc([N+](=O)[O-])o1	ZINC000001114835	568659615	/nfs/dbraw/zinc/65/96/15/568659615.db2.gz	JMLJUFQPCVAKGE-UHFFFAOYSA-N	-1	3	429.186	4.406	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1cccc(Cl)c1	ZINC000137801978	568893131	/nfs/dbraw/zinc/89/31/31/568893131.db2.gz	CLIMOTQQSMRZOD-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000027528047	569263470	/nfs/dbraw/zinc/26/34/70/569263470.db2.gz	FIRLAXFBVQLITB-UHFFFAOYSA-N	-1	3	438.802	4.148	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000226975383	569430527	/nfs/dbraw/zinc/43/05/27/569430527.db2.gz	NFJLOKYKERBPCB-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1	ZINC000103530224	557438646	/nfs/dbraw/zinc/43/86/46/557438646.db2.gz	XOZOKZRQTDZXOH-PZJWPPBQSA-N	-1	3	446.850	4.031	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1C	ZINC000001128543	568659705	/nfs/dbraw/zinc/65/97/05/568659705.db2.gz	FNAQCQUWEZYWHT-UHFFFAOYSA-N	-1	3	439.493	4.194	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1C	ZINC000015529216	568797009	/nfs/dbraw/zinc/79/70/09/568797009.db2.gz	PLOZAAPTRHZCMH-UHFFFAOYSA-N	-1	3	425.466	4.265	50	5		IIBAHM
O=[N+]([O-])c1ccc(NCCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1	ZINC000009720910	569297842	/nfs/dbraw/zinc/29/78/42/569297842.db2.gz	FHDYUTYMLGNYHH-UHFFFAOYSA-N	-1	3	438.720	4.336	50	5		IIBAHM
O=C([N-]c1nc(-c2ccc(I)cc2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000003226425	569442159	/nfs/dbraw/zinc/44/21/59/569442159.db2.gz	ZPSCJKZAOZEGMN-UHFFFAOYSA-N	-1	3	441.206	4.168	50	5		IIBAHM
Cc1cccc2c([O-])c3c(=O)cc(OC(=O)CCNC(=O)OCc4ccccc4)cc-3oc12	ZINC000012882617	524922881	/nfs/dbraw/zinc/92/28/81/524922881.db2.gz	HJDXBCXCJQUHAQ-UHFFFAOYSA-N	-1	3	447.443	4.182	50	5	biogenic	IIBAHM
COc1ccc(-c2n[nH]cc2-c2c3cnn(C)c3[nH]c3c2oc2cc(=O)cc([O-])c23)cc1	ZINC000409415574	556641934	/nfs/dbraw/zinc/64/19/34/556641934.db2.gz	QNMDTIPFHDIJHI-UHFFFAOYSA-N	-1	3	427.420	4.345	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000013805383	556741441	/nfs/dbraw/zinc/74/14/41/556741441.db2.gz	XXNWPIAJAWISGN-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1Cl	ZINC000102750487	557382885	/nfs/dbraw/zinc/38/28/85/557382885.db2.gz	KFNBYDOZONUQFI-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C([N-]n1c(=O)c2ccccc2nc1C1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008683139	562961822	/nfs/dbraw/zinc/96/18/22/562961822.db2.gz	NCERYNQVHFDRME-UHFFFAOYSA-N	-1	3	426.860	4.390	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000137330912	568819421	/nfs/dbraw/zinc/81/94/21/568819421.db2.gz	USSFWXSVRRDCIU-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000226978871	569430471	/nfs/dbraw/zinc/43/04/71/569430471.db2.gz	ZQCIRMREFLSTAI-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
COc1ccc([N-]S(=O)(=O)c2cc(/C=C/c3onc(C)c3[N+](=O)[O-])ccc2C)cc1	ZINC000021112545	524686347	/nfs/dbraw/zinc/68/63/47/524686347.db2.gz	JJUGWQONGGMEAB-IZZDOVSWSA-N	-1	3	429.454	4.179	50	5		IIBAHM
CCOC(=O)c1sc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc1-c1ccccc1	ZINC000004427900	556513203	/nfs/dbraw/zinc/51/32/03/556513203.db2.gz	NSOOUAHTBOFOBQ-UHFFFAOYSA-N	-1	3	442.409	4.056	50	5		IIBAHM
C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C1ON(c1ccccc1)[C@@H]2c1ccccc1	ZINC000013582447	556699318	/nfs/dbraw/zinc/69/93/18/556699318.db2.gz	UOSGPBIVRHWILZ-ZFGGDYGUSA-N	-1	3	429.432	4.036	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]1c1ccc(F)cc1	ZINC000136522108	556816020	/nfs/dbraw/zinc/81/60/20/556816020.db2.gz	IOVYATFMQVVEGT-FSSWDIPSSA-N	-1	3	447.422	4.093	50	5		IIBAHM
COC(=O)c1cnc(Sc2n[n-]c(-c3cc(Cl)cc(Cl)c3)n2)c([N+](=O)[O-])c1	ZINC000012370011	522341404	/nfs/dbraw/zinc/34/14/04/522341404.db2.gz	ADUJMRVDOPWYBB-UHFFFAOYSA-N	-1	3	426.241	4.020	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000013686545	556710473	/nfs/dbraw/zinc/71/04/73/556710473.db2.gz	ZQCIRMREFLSTAI-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000017836917	557125173	/nfs/dbraw/zinc/12/51/73/557125173.db2.gz	KQUUKWFYSLEOIV-ZLNRFVROSA-N	-1	3	443.459	4.208	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000018165877	557245005	/nfs/dbraw/zinc/24/50/05/557245005.db2.gz	XXNWPIAJAWISGN-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000100712023	556655867	/nfs/dbraw/zinc/65/58/67/556655867.db2.gz	OCOMGUVWMJYQJY-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000102766006	557381228	/nfs/dbraw/zinc/38/12/28/557381228.db2.gz	IVBAGKFXHHRVFK-RJGXRXQPSA-N	-1	3	443.459	4.263	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000102730966	557371451	/nfs/dbraw/zinc/37/14/51/557371451.db2.gz	IPOJZKGPOKENFE-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000102719794	557375582	/nfs/dbraw/zinc/37/55/82/557375582.db2.gz	ZFFMMHDTLNTBLD-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]c2ccc(Cl)cc2[N+](=O)[O-])c1	ZINC000008693892	562963639	/nfs/dbraw/zinc/96/36/39/562963639.db2.gz	WWRMTCUARDXEIK-UHFFFAOYSA-N	-1	3	446.312	4.184	50	5		IIBAHM
CCOc1cc(-c2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC	ZINC000015391377	568761557	/nfs/dbraw/zinc/76/15/57/568761557.db2.gz	GZPZUDUSQMTCKT-UHFFFAOYSA-N	-1	3	442.428	4.093	50	5		IIBAHM
CCc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000239274980	569138759	/nfs/dbraw/zinc/13/87/59/569138759.db2.gz	BAOOYJHBRZQXGB-XPWALMASSA-N	-1	3	443.459	4.208	50	5		IIBAHM
Cn1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1cc2cc3c(cc2[nH]c1=O)OCO3	ZINC000253623912	569284546	/nfs/dbraw/zinc/28/45/46/569284546.db2.gz	SPMFFHCIICPAPM-UHFFFAOYSA-N	-1	3	426.388	4.223	50	5	biogenic	IIBAHM
C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C([O-])=C1ON(c1ccccc1)[C@H]2c1ccccc1	ZINC000244842338	569495876	/nfs/dbraw/zinc/49/58/76/569495876.db2.gz	UOSGPBIVRHWILZ-AWRGLXIESA-N	-1	3	429.432	4.036	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000013749024	556724596	/nfs/dbraw/zinc/72/45/96/556724596.db2.gz	ARBNQJAWRMSWEV-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000102711031	557368607	/nfs/dbraw/zinc/36/86/07/557368607.db2.gz	PKIPREABKFBABA-RJGXRXQPSA-N	-1	3	443.459	4.263	50	5		IIBAHM
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000102735679	557373310	/nfs/dbraw/zinc/37/33/10/557373310.db2.gz	KQUUKWFYSLEOIV-YTFSRNRJSA-N	-1	3	443.459	4.208	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1[N+](=O)[O-])ON(c1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000137792962	568892946	/nfs/dbraw/zinc/89/29/46/568892946.db2.gz	ARBNQJAWRMSWEV-PWRODBHTSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1n[nH]c(C)c1CNc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-]	ZINC000058356727	569453545	/nfs/dbraw/zinc/45/35/45/569453545.db2.gz	LWYAFXLTFMZGRW-UHFFFAOYSA-N	-1	3	435.893	4.001	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000009311951	569521827	/nfs/dbraw/zinc/52/18/27/569521827.db2.gz	IPOJZKGPOKENFE-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102737713	557379962	/nfs/dbraw/zinc/37/99/62/557379962.db2.gz	UEWFDSYOPMVXMZ-YPAWHYETSA-N	-1	3	447.422	4.093	50	5		IIBAHM
O=c1[n-]c(Sc2c3nsnc3c(Br)cc2[N+](=O)[O-])nc2ccccc12	ZINC000016525164	563020931	/nfs/dbraw/zinc/02/09/31/563020931.db2.gz	WDLICPWHCJUMNC-UHFFFAOYSA-N	-1	3	436.272	4.162	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000006142478	568845220	/nfs/dbraw/zinc/84/52/20/568845220.db2.gz	OCOMGUVWMJYQJY-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N3CC[C@H](OC(C)(C)C)C3)c([N+](=O)[O-])c2)c(C)c1	ZINC000253426909	569267394	/nfs/dbraw/zinc/26/73/94/569267394.db2.gz	BXMOTKNEBYTBSB-KRWDZBQOSA-N	-1	3	447.557	4.406	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(Cl)c1	ZINC000100867764	557195084	/nfs/dbraw/zinc/19/50/84/557195084.db2.gz	NHDGFTKGJFLBOM-CTNGQTDRSA-N	-1	3	446.850	4.031	50	5		IIBAHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1	ZINC000001113632	568659501	/nfs/dbraw/zinc/65/95/01/568659501.db2.gz	UJTLQYLHHYRPCE-UHFFFAOYSA-N	-1	3	425.466	4.265	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000227020629	569431117	/nfs/dbraw/zinc/43/11/17/569431117.db2.gz	XXNWPIAJAWISGN-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000003021089	569435958	/nfs/dbraw/zinc/43/59/58/569435958.db2.gz	NZWYAPOKSIEFKQ-UHFFFAOYSA-N	-1	3	427.873	4.271	50	5		IIBAHM
Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCc2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000003021089	569435959	/nfs/dbraw/zinc/43/59/59/569435959.db2.gz	NZWYAPOKSIEFKQ-UHFFFAOYSA-N	-1	3	427.873	4.271	50	5		IIBAHM
C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F	ZINC000012519869	525575885	/nfs/dbraw/zinc/57/58/85/525575885.db2.gz	UCSWIJSLPIIUNP-SECBINFHSA-N	-1	3	430.820	4.033	50	5		IIBAHM
CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1	ZINC000095483651	569374620	/nfs/dbraw/zinc/37/46/20/569374620.db2.gz	KQUUKWFYSLEOIV-ZRBLBEILSA-N	-1	3	443.459	4.208	50	5		IIBAHM
O=C([N-]c1ccc(Cl)cc1[N+](=O)[O-])c1cc(I)cc([N+](=O)[O-])c1	ZINC000004015648	569458213	/nfs/dbraw/zinc/45/82/13/569458213.db2.gz	BGFQNQQBTNUYOJ-UHFFFAOYSA-N	-1	3	447.572	4.013	50	5		IIBAHM
CCN(CC)c1ccc(-n2nc3cc(C)c([N-]C(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1	ZINC000004122924	569459938	/nfs/dbraw/zinc/45/99/38/569459938.db2.gz	UWKXVDAVUJJUIS-UHFFFAOYSA-N	-1	3	434.456	4.329	50	5		IIBAHM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000009288381	569519394	/nfs/dbraw/zinc/51/93/94/569519394.db2.gz	HWUCFHXAYRNKIG-UHFFFAOYSA-N	-1	3	449.847	4.440	50	5		IIBAHM
O=C(Nc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl)c1cccc([N+](=O)[O-])c1	ZINC000009443598	569535681	/nfs/dbraw/zinc/53/56/81/569535681.db2.gz	LBYZCMRAGMJCON-UHFFFAOYSA-N	-1	3	449.847	4.440	50	5		IIBAHM
COc1ccc([N-]C(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000012380541	524666429	/nfs/dbraw/zinc/66/64/29/524666429.db2.gz	QJEPSNQEHCPZIA-VIFPVBQESA-N	-1	3	444.296	4.191	50	5		IIBAHM
O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(Cl)cc1	ZINC000018118092	527119845	/nfs/dbraw/zinc/11/98/45/527119845.db2.gz	XOZOKZRQTDZXOH-TZIWHRDSSA-N	-1	3	446.850	4.031	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013807391	556743641	/nfs/dbraw/zinc/74/36/41/556743641.db2.gz	QZSZKPFFTURYGA-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000000674240	557132607	/nfs/dbraw/zinc/13/26/07/557132607.db2.gz	RJWRCFOWWKCCEB-UHFFFAOYSA-N	-1	3	441.465	4.047	50	5		IIBAHM
CCOC(=O)c1c2c(sc1[N-]C(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)NC(C)(C)C2	ZINC000009639827	569297553	/nfs/dbraw/zinc/29/75/53/569297553.db2.gz	DWGSXNATVAGHKZ-UHFFFAOYSA-N	-1	3	437.543	4.306	50	5		IIBAHM
Nc1cc2oc3cc(=O)c(-c4ccc(O)cc4[O-])cc-3nc2cc1-c1ccc(O)cc1O	ZINC000013346907	556502656	/nfs/dbraw/zinc/50/26/56/556502656.db2.gz	ABNVFGQXCGFSFH-UHFFFAOYSA-N	-1	3	428.400	4.031	50	5	aggregator	IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000013646135	556705333	/nfs/dbraw/zinc/70/53/33/556705333.db2.gz	USSFWXSVRRDCIU-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]1c1ccc(F)cc1	ZINC000238900290	569137762	/nfs/dbraw/zinc/13/77/62/569137762.db2.gz	IOVYATFMQVVEGT-BDTNDASRSA-N	-1	3	447.422	4.093	50	5		IIBAHM
CCOC(=O)c1sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1	ZINC000008872045	569480859	/nfs/dbraw/zinc/48/08/59/569480859.db2.gz	LWCXIWHLPQZHIY-UHFFFAOYSA-N	-1	3	442.409	4.056	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000009331621	569523065	/nfs/dbraw/zinc/52/30/65/569523065.db2.gz	NFJLOKYKERBPCB-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C(CSc1nnc([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1)Nc1ccccc1	ZINC000009364071	569525996	/nfs/dbraw/zinc/52/59/96/569525996.db2.gz	UMJBQEZRPSQMSF-UHFFFAOYSA-N	-1	3	449.901	4.083	50	5		IIBAHM
Cc1nc(CCNc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])cs1	ZINC000012557170	526829621	/nfs/dbraw/zinc/82/96/21/526829621.db2.gz	LLKXTXGYYRECEB-UHFFFAOYSA-N	-1	3	446.554	4.432	50	5		IIBAHM
Cc1ccccc1N1OC2=C([O-])N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]1c1cccs1	ZINC000101880184	557304340	/nfs/dbraw/zinc/30/43/40/557304340.db2.gz	OCTBGNLBMWPCNX-ZCNNSNEGSA-N	-1	3	435.461	4.016	50	5		IIBAHM
CCc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000137469955	568844885	/nfs/dbraw/zinc/84/48/85/568844885.db2.gz	BAOOYJHBRZQXGB-RJGXRXQPSA-N	-1	3	443.459	4.208	50	5		IIBAHM
O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccccc1Cl	ZINC000137809027	568893454	/nfs/dbraw/zinc/89/34/54/568893454.db2.gz	ZZNCQVJBBNCZSD-PCCBWWKXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCCC2	ZINC000002091848	569178535	/nfs/dbraw/zinc/17/85/35/569178535.db2.gz	XHDWIANYVFLUNT-UHFFFAOYSA-N	-1	3	433.442	4.262	50	5		IIBAHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000009434420	569296160	/nfs/dbraw/zinc/29/61/60/569296160.db2.gz	ADOPPQRTFKMNEE-UHFFFAOYSA-N	-1	3	441.465	4.047	50	5		IIBAHM
Cc1ccc(C)c(NC(=O)CSc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)s2)c1	ZINC000003000282	569434999	/nfs/dbraw/zinc/43/49/99/569434999.db2.gz	VPDONHBFGZIBKE-UHFFFAOYSA-N	-1	3	443.510	4.046	50	5		IIBAHM
Cc1ccc(OCCSCc2nnc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000016293757	556598612	/nfs/dbraw/zinc/59/86/12/556598612.db2.gz	OZFWGZCBSUAITQ-UHFFFAOYSA-N	-1	3	430.511	4.319	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc(Cl)c1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000013685943	556710441	/nfs/dbraw/zinc/71/04/41/556710441.db2.gz	NFJLOKYKERBPCB-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1cccc([N+](=O)[O-])c1)ON(c1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000013714432	556714877	/nfs/dbraw/zinc/71/48/77/556714877.db2.gz	ZFFMMHDTLNTBLD-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-]	ZINC000017993122	557136963	/nfs/dbraw/zinc/13/69/63/557136963.db2.gz	UEIHFDSZPPKBMU-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3[O-])n2C)cc1[N+](=O)[O-]	ZINC000001124166	568660181	/nfs/dbraw/zinc/66/01/81/568660181.db2.gz	WENOAYMMRCIWPX-UHFFFAOYSA-N	-1	3	449.492	4.288	50	5		IIBAHM
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([N-]c2ccccc2F)s1	ZINC000003261803	568744226	/nfs/dbraw/zinc/74/42/26/568744226.db2.gz	SLDPDHGRTTYXGX-UHFFFAOYSA-N	-1	3	435.462	4.068	50	5		IIBAHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000002091840	569178521	/nfs/dbraw/zinc/17/85/21/569178521.db2.gz	ZXDBAOLIMGMVNG-SNVBAGLBSA-N	-1	3	433.442	4.118	50	5		IIBAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	ZINC000027473743	569213987	/nfs/dbraw/zinc/21/39/87/569213987.db2.gz	XLBUQCWQQVLTBJ-UHFFFAOYSA-N	-1	3	428.426	4.356	50	5		IIBAHM
Cn1ncc2c1nc1c3ccc([O-])cc3oc1c2-c1cc2cc3c(cc2[nH]c1=O)OCCO3	ZINC000253623654	569284389	/nfs/dbraw/zinc/28/43/89/569284389.db2.gz	DDKUIYGYMJRJCK-UHFFFAOYSA-N	-1	3	440.415	4.265	50	5	biogenic	IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccc(Cl)cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000011582560	569302563	/nfs/dbraw/zinc/30/25/63/569302563.db2.gz	OCOMGUVWMJYQJY-QHAWAJNXSA-N	-1	3	449.850	4.299	50	5		IIBAHM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000009136844	569507169	/nfs/dbraw/zinc/50/71/69/569507169.db2.gz	WOTWQPDOYGTCPO-UHFFFAOYSA-N	-1	3	442.453	4.048	50	5		IIBAHM
O=C1[C@H]2C(=C([O-])N1c1ccccc1Cl)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-]	ZINC000009329042	569522922	/nfs/dbraw/zinc/52/29/22/569522922.db2.gz	UEIHFDSZPPKBMU-NJDAHSKKSA-N	-1	3	449.850	4.299	50	5		IIBAHM