smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1ncc(Cl)c1C(=O)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000005658819	204144164	/nfs/dbraw/zinc/14/41/64/204144164.db2.gz	SOUUDMBNZDVGGJ-UHFFFAOYSA-N	-1	3	388.236	3.245	50	5		GGBAHM
CC(=O)Cc1nsc([N-]C(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)n1	ZINC000067192556	205241400	/nfs/dbraw/zinc/24/14/00/205241400.db2.gz	GHXIMSOMABGSQJ-UHFFFAOYSA-N	-1	3	386.389	3.399	50	5		GGBAHM
Cc1cc(C)cc(OCC[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000023143529	564321964	/nfs/dbraw/zinc/32/19/64/564321964.db2.gz	LOYOKRQQSGFISX-UHFFFAOYSA-N	-1	3	384.841	3.222	50	5		GGBAHM
O=[N+]([O-])c1ccc([N-]c2nc(OCC(F)(F)F)nc(N3CCCCC3)n2)cc1	ZINC000006045263	570222161	/nfs/dbraw/zinc/22/21/61/570222161.db2.gz	GSGFCWXEPWISFJ-UHFFFAOYSA-N	-1	3	398.345	3.455	50	5		GGBAHM
CCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000018157183	570806532	/nfs/dbraw/zinc/80/65/32/570806532.db2.gz	ZKKIRCDRNCNLIV-KURKYZTESA-N	-1	3	381.388	3.073	50	5		GGBAHM
O=[N+]([O-])c1ccc(-c2noc3c([O-])n(-c4cccc5ccccc54)c(O)c23)cc1	ZINC000101344208	570820535	/nfs/dbraw/zinc/82/05/35/570820535.db2.gz	DQEHAXPIEWNUFB-HKUYNNGSSA-N	-1	3	387.351	3.041	50	5		GGBAHM
O=[N+]([O-])c1ccc(-c2noc3c([O-])n(-c4cccc5ccccc54)c(O)c23)cc1	ZINC000101344211	570820564	/nfs/dbraw/zinc/82/05/64/570820564.db2.gz	DQEHAXPIEWNUFB-IEBWSBKVSA-N	-1	3	387.351	3.041	50	5		GGBAHM
Cc1nn(Cc2c(C)onc2C(=O)[N-]c2cc(F)ccc2F)c(C)c1[N+](=O)[O-]	ZINC000017079881	570927035	/nfs/dbraw/zinc/92/70/35/570927035.db2.gz	JMOAUNIYUQALCS-UHFFFAOYSA-N	-1	3	391.334	3.283	50	5		GGBAHM
O=C([N-]N1C(=O)c2ccccc2N[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000001439785	206382175	/nfs/dbraw/zinc/38/21/75/206382175.db2.gz	ISHFCEBZWJUYLA-QGZVFWFLSA-N	-1	3	378.344	3.099	50	5		GGBAHM
CCc1c(C)sc([N-]C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C(=O)OC	ZINC000002091860	206398348	/nfs/dbraw/zinc/39/83/48/206398348.db2.gz	RQXJYXQTOBQBAB-UHFFFAOYSA-N	-1	3	393.377	3.474	50	5		GGBAHM
O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1	ZINC000004551106	206528816	/nfs/dbraw/zinc/52/88/16/206528816.db2.gz	QDMNBXUDTWWQCV-UHFFFAOYSA-N	-1	3	375.175	3.297	50	5		GGBAHM
CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C2ON1c1ccccc1	ZINC000018038440	207092677	/nfs/dbraw/zinc/09/26/77/207092677.db2.gz	SRVKUUHUJMQTIZ-KURKYZTESA-N	-1	3	381.388	3.073	50	5		GGBAHM
O=[N+]([O-])c1ccc(-c2noc3c([O-])n(-c4cccc5ccccc54)c(O)c23)cc1	ZINC000100845934	208382465	/nfs/dbraw/zinc/38/24/65/208382465.db2.gz	DQEHAXPIEWNUFB-MJGOQNOKSA-N	-1	3	387.351	3.041	50	5		GGBAHM
CC1=Nc2nc([N-]C(=O)c3cccc([N+](=O)[O-])c3)nn2[C@@H](c2ccccc2)C1	ZINC000100904743	208383060	/nfs/dbraw/zinc/38/30/60/208383060.db2.gz	LRQOQSXJANTRQF-MRXNPFEDSA-N	-1	3	376.376	3.357	50	5		GGBAHM
CC1=Nc2nc([N-]C(=O)c3cccc([N+](=O)[O-])c3)nn2[C@H](c2ccccc2)C1	ZINC000100904746	208383604	/nfs/dbraw/zinc/38/36/04/208383604.db2.gz	LRQOQSXJANTRQF-INIZCTEOSA-N	-1	3	376.376	3.357	50	5		GGBAHM
CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000101075235	208385862	/nfs/dbraw/zinc/38/58/62/208385862.db2.gz	OQTSTRMAGBTNRN-QYZOEREBSA-N	-1	3	395.415	3.319	50	5		GGBAHM
O=C([N-]c1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc(Br)o1	ZINC000002765280	564189426	/nfs/dbraw/zinc/18/94/26/564189426.db2.gz	QVTJMESLRGZFQB-UHFFFAOYSA-N	-1	3	387.211	3.287	50	5		GGBAHM
O=c1[n-]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000004624102	570679708	/nfs/dbraw/zinc/67/97/08/570679708.db2.gz	OBGZEFXOPUQWRN-MRXNPFEDSA-N	-1	3	386.367	3.362	50	5		GGBAHM
O=c1[n-]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000004624796	570702321	/nfs/dbraw/zinc/70/23/21/570702321.db2.gz	IFZAWEKZSNHMTF-INIZCTEOSA-N	-1	3	386.367	3.362	50	5		GGBAHM
O=c1[n-]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000004627862	570734427	/nfs/dbraw/zinc/73/44/27/570734427.db2.gz	IFZAWEKZSNHMTF-MRXNPFEDSA-N	-1	3	386.367	3.362	50	5		GGBAHM
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc([O-])cc1	ZINC000004402384	570736290	/nfs/dbraw/zinc/73/62/90/570736290.db2.gz	OJXNUHVCJNIBAZ-UHFFFAOYSA-N	-1	3	379.284	3.162	50	5		GGBAHM
CCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000102728302	570859119	/nfs/dbraw/zinc/85/91/19/570859119.db2.gz	ZKKIRCDRNCNLIV-KZNAEPCWSA-N	-1	3	381.388	3.073	50	5		GGBAHM
CCC(CC)c1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1	ZINC000002734879	1398317785	/nfs/dbraw/zinc/31/77/85/1398317785.db2.gz	VBGVKRUKRLRNQA-UHFFFAOYSA-N	-1	3	378.410	3.389	50	5		GGBAHM
Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(Oc3ccccc3)cc([N+](=O)[O-])c2)n1	ZINC000002766261	1398318881	/nfs/dbraw/zinc/31/88/81/1398318881.db2.gz	HVDDFEFAGZPZGS-UHFFFAOYSA-N	-1	3	383.320	3.281	50	5		GGBAHM
CCC[C@H](C)c1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1	ZINC000002865429	1398320300	/nfs/dbraw/zinc/32/03/00/1398320300.db2.gz	LDYITONRRFMQLP-VIFPVBQESA-N	-1	3	378.410	3.389	50	5		GGBAHM
O=C1c2ccc([N+](=O)[O-])c3c2c(ccc3[N+](=O)[O-])C(=O)N1c1ccc([O-])cc1	ZINC000003158525	1398327032	/nfs/dbraw/zinc/32/70/32/1398327032.db2.gz	PJGIJGCNJYIPSD-UHFFFAOYSA-N	-1	3	379.284	3.162	50	5		GGBAHM
CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1[O-]	ZINC000002868945	209394050	/nfs/dbraw/zinc/39/40/50/209394050.db2.gz	NXFYTHWMXHOBOM-UHFFFAOYSA-N	-1	3	399.432	3.310	50	5		GGBAHM
O=C([N-]N1C(=O)c2ccccc2N[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1	ZINC000001439784	209328498	/nfs/dbraw/zinc/32/84/98/209328498.db2.gz	ISHFCEBZWJUYLA-KRWDZBQOSA-N	-1	3	378.344	3.099	50	5		GGBAHM
COC(=O)c1cc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(C(=O)OC)c1	ZINC000000834097	209270392	/nfs/dbraw/zinc/27/03/92/209270392.db2.gz	XTDOJUAIZZCZJS-UHFFFAOYSA-N	-1	3	392.751	3.074	50	5		GGBAHM
O=[N+]([O-])c1ccc(-c2noc3c([O-])n(-c4ccc5ccccc5c4)c(O)c23)cc1	ZINC000100837577	211393021	/nfs/dbraw/zinc/39/30/21/211393021.db2.gz	GESFOBMJOSOOIB-MJGOQNOKSA-N	-1	3	387.351	3.041	50	5		GGBAHM
O=c1[n-]c2c3cc(Br)ccc3nc(=S)n2nc1-c1ccccc1	ZINC000071922018	211064286	/nfs/dbraw/zinc/06/42/86/211064286.db2.gz	AEOBAHBQQNJOJT-UHFFFAOYSA-N	-1	3	385.246	3.356	50	5		GGBAHM
Cc1nn(C)c(C(=O)NC(=S)[N-]c2c(C)cc(C)cc2[N+](=O)[O-])c1Cl	ZINC000005587392	564217859	/nfs/dbraw/zinc/21/78/59/564217859.db2.gz	WAIPNFSAGUOWGE-UHFFFAOYSA-N	-1	3	381.845	3.034	50	5		GGBAHM
COC(=O)c1c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])sc2c1CCCCCC2	ZINC000006265873	570353386	/nfs/dbraw/zinc/35/33/86/570353386.db2.gz	DUTCCUMVBWHGMN-UHFFFAOYSA-N	-1	3	378.410	3.077	50	5		GGBAHM
COc1ccc(CCN(C)Cc2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1OC	ZINC000004948449	570377026	/nfs/dbraw/zinc/37/70/26/570377026.db2.gz	CEOFMFCLPKGODH-UHFFFAOYSA-N	-1	3	376.409	3.001	50	5		GGBAHM
CCOc1ccc([N-]C(=S)NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1	ZINC000004982389	570389671	/nfs/dbraw/zinc/38/96/71/570389671.db2.gz	JEVATOZWWWQUMB-UHFFFAOYSA-N	-1	3	375.406	3.129	50	5		GGBAHM
Cc1nc(N2CCOCC2)nc([N-]c2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000004331900	570575695	/nfs/dbraw/zinc/57/56/95/570575695.db2.gz	YIHYPDBYWYZOJB-UHFFFAOYSA-N	-1	3	383.330	3.292	50	5		GGBAHM
Cc1cccn2c(=O)c3cc(C(=O)[N-]c4ccccc4[N+](=O)[O-])sc3nc12	ZINC000006861299	570653332	/nfs/dbraw/zinc/65/33/32/570653332.db2.gz	CYPFKAXMXOSJTQ-UHFFFAOYSA-N	-1	3	380.385	3.378	50	5		GGBAHM
O=c1[n-]c(=O)c2c([nH]1)Nc1ccc3ccccc3c1[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000004624101	570679714	/nfs/dbraw/zinc/67/97/14/570679714.db2.gz	OBGZEFXOPUQWRN-INIZCTEOSA-N	-1	3	386.367	3.362	50	5		GGBAHM
O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1cccc([O-])c1	ZINC000004409403	570736903	/nfs/dbraw/zinc/73/69/03/570736903.db2.gz	FJGLFWIJTJXRQM-UHFFFAOYSA-N	-1	3	379.284	3.162	50	5		GGBAHM
COc1ccc([N-]C(=S)NC(=O)CCCOc2ccccc2)c([N+](=O)[O-])c1	ZINC000004422207	570753614	/nfs/dbraw/zinc/75/36/14/570753614.db2.gz	VRPBQKNSZGWMFE-UHFFFAOYSA-N	-1	3	389.433	3.276	50	5		GGBAHM
COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	ZINC000101571355	570826404	/nfs/dbraw/zinc/82/64/04/570826404.db2.gz	JMSPQKACFXPNNY-UHFFFAOYSA-N	-1	3	396.699	3.326	50	5		GGBAHM
O=c1c(Cc2c(F)cccc2Cl)c([O-])ccn1Nc1ncccc1[N+](=O)[O-]	ZINC000004050788	570925420	/nfs/dbraw/zinc/92/54/20/570925420.db2.gz	HXJWOLAIWKGCRS-UHFFFAOYSA-N	-1	3	390.758	3.116	50	5		GGBAHM
CN(C)[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21	ZINC000010335604	212249296	/nfs/dbraw/zinc/24/92/96/212249296.db2.gz	LGCAIAPGGCNUBN-LJQANCHMSA-N	-1	3	399.472	3.329	50	5		GGBAHM
O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F	ZINC000000845878	212188308	/nfs/dbraw/zinc/18/83/08/212188308.db2.gz	QYZFHWDKCCIZQU-CJNGLKHVSA-N	-1	3	385.342	3.167	50	5		GGBAHM
O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F	ZINC000000845880	212187895	/nfs/dbraw/zinc/18/78/95/212187895.db2.gz	QYZFHWDKCCIZQU-CZUORRHYSA-N	-1	3	385.342	3.167	50	5		GGBAHM
CCn1ncc(Cl)c1C(=O)NC(=S)[N-]c1c(C)cc(C)cc1[N+](=O)[O-]	ZINC000005585574	220884396	/nfs/dbraw/zinc/88/43/96/220884396.db2.gz	PGLDBNZKBZUTOW-UHFFFAOYSA-N	-1	3	381.845	3.208	50	5		GGBAHM
Cc1cc([O-])ccc1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O	ZINC000095470910	136179371	/nfs/dbraw/zinc/17/93/71/136179371.db2.gz	RHNFSJJZOHWUBP-UHFFFAOYSA-N	-1	3	393.311	3.471	50	5		GGBAHM
O=C([N-]c1ccc(F)c(Cl)c1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000100222063	222458703	/nfs/dbraw/zinc/45/87/03/222458703.db2.gz	OYFJBEPAJLXDIB-UHFFFAOYSA-N	-1	3	384.663	3.456	50	5		GGBAHM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1	ZINC000004144868	564201433	/nfs/dbraw/zinc/20/14/33/564201433.db2.gz	HOAZIUMZYBUHKT-UHFFFAOYSA-N	-1	3	375.175	3.297	50	5		GGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000004561119	564204164	/nfs/dbraw/zinc/20/41/64/564204164.db2.gz	MSBHMVCNWQDDRG-UHFFFAOYSA-N	-1	3	380.223	3.484	50	5		GGBAHM
O=[N+]([O-])c1ccccc1NCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000004703723	564205950	/nfs/dbraw/zinc/20/59/50/564205950.db2.gz	FFFJCVPDGHRNON-UHFFFAOYSA-N	-1	3	390.248	3.292	50	5		GGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	ZINC000005094625	564212400	/nfs/dbraw/zinc/21/24/00/564212400.db2.gz	QLGNGEOSBGXLCU-UHFFFAOYSA-N	-1	3	380.223	3.484	50	5		GGBAHM
Cc1ccc(S(=O)(=O)C(=C[N-]c2ccc(C(F)(F)F)cn2)[N+](=O)[O-])cc1	ZINC000005363319	570435227	/nfs/dbraw/zinc/43/52/27/570435227.db2.gz	UHAPVCFBFHSIRT-NTEUORMPSA-N	-1	3	387.339	3.370	50	5		GGBAHM
CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000102734040	570859835	/nfs/dbraw/zinc/85/98/35/570859835.db2.gz	OQTSTRMAGBTNRN-GUDVDZBRSA-N	-1	3	395.415	3.319	50	5		GGBAHM
O=[N+]([O-])c1ccc(-c2noc3c([O-])n(-c4ccc5ccccc5c4)c(O)c23)cc1	ZINC000103618098	570887493	/nfs/dbraw/zinc/88/74/93/570887493.db2.gz	GESFOBMJOSOOIB-HKUYNNGSSA-N	-1	3	387.351	3.041	50	5		GGBAHM
CCCCCc1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1	ZINC000002855955	1398320643	/nfs/dbraw/zinc/32/06/43/1398320643.db2.gz	DTRWVIGTXIEUOV-UHFFFAOYSA-N	-1	3	378.410	3.218	50	5		GGBAHM
CCC[C@@H](C)c1nnc([N-]C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1	ZINC000002865428	1398320718	/nfs/dbraw/zinc/32/07/18/1398320718.db2.gz	LDYITONRRFMQLP-SECBINFHSA-N	-1	3	378.410	3.389	50	5		GGBAHM
O=C([N-]N1C(=O)c2ccccc2N[C@@H]1c1ccoc1)c1ccc([N+](=O)[O-])cc1	ZINC000003641585	204016931	/nfs/dbraw/zinc/01/69/31/204016931.db2.gz	GZUVUPDJOMYFJQ-KRWDZBQOSA-N	-1	3	378.344	3.099	50	5		GGBAHM
O=C([N-]N1C(=O)c2ccccc2N[C@H]1c1ccoc1)c1ccc([N+](=O)[O-])cc1	ZINC000003641588	204017152	/nfs/dbraw/zinc/01/71/52/204017152.db2.gz	GZUVUPDJOMYFJQ-QGZVFWFLSA-N	-1	3	378.344	3.099	50	5		GGBAHM
COc1cc(C(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC	ZINC000004195987	204032325	/nfs/dbraw/zinc/03/23/25/204032325.db2.gz	UEDOQWVGRZIQJB-UHFFFAOYSA-N	-1	3	381.728	3.426	50	5		GGBAHM
O=C(c1ccccc1[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000004406169	204044115	/nfs/dbraw/zinc/04/41/15/204044115.db2.gz	FFUOOCPVRYQXNL-UHFFFAOYSA-N	-1	3	395.337	3.282	50	5		GGBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)c1	ZINC000005163752	204116980	/nfs/dbraw/zinc/11/69/80/204116980.db2.gz	CRCZKYCPVNSFBF-UHFFFAOYSA-N	-1	3	388.428	3.108	50	5		GGBAHM
CCOC(=O)c1c(C)c(C(=O)OC)sc1[N-]C(=O)c1ccccc1[N+](=O)[O-]	ZINC000005870525	204154854	/nfs/dbraw/zinc/15/48/54/204154854.db2.gz	KZKXWEZZKFAFIP-UHFFFAOYSA-N	-1	3	392.389	3.180	50	5		GGBAHM
CCn1ncc(-c2ccnc3cc(C(=O)[N-]c4ccccc4[N+](=O)[O-])nn32)c1C	ZINC000006634572	204188207	/nfs/dbraw/zinc/18/82/07/204188207.db2.gz	QPLJMHJLJPIENR-UHFFFAOYSA-N	-1	3	391.391	3.082	50	5		GGBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)c1	ZINC000009281627	204306286	/nfs/dbraw/zinc/30/62/86/204306286.db2.gz	TZNTWTQEQBUZJG-UHFFFAOYSA-N	-1	3	382.380	3.471	50	5		GGBAHM
CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000226986499	206099647	/nfs/dbraw/zinc/09/96/47/206099647.db2.gz	RKROBLKADFNWMV-CEXWTWQISA-N	-1	3	395.415	3.463	50	5		GGBAHM
Cc1cc(OC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])c(=O)[n-]1	ZINC000004248372	564201904	/nfs/dbraw/zinc/20/19/04/564201904.db2.gz	XBKMJMVFQUEYLS-UHFFFAOYSA-N	-1	3	387.573	3.227	50	5		GGBAHM
CCOc1ccc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000100495866	570372415	/nfs/dbraw/zinc/37/24/15/570372415.db2.gz	XBEZJXZCKPJBDH-UHFFFAOYSA-N	-1	3	376.281	3.062	50	5		GGBAHM
O=C(c1ccc2c(c1)C(=O)N(c1cccc([O-])c1)C2=O)c1cccc([N+](=O)[O-])c1	ZINC000000844883	570432582	/nfs/dbraw/zinc/43/25/82/570432582.db2.gz	DKCYVCFUFZBAOZ-UHFFFAOYSA-N	-1	3	388.335	3.332	50	5		GGBAHM
CC1=Nc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)nn2[C@H](c2ccccc2)C1	ZINC000100838249	570776372	/nfs/dbraw/zinc/77/63/72/570776372.db2.gz	KMRYRSRGMQBZBX-INIZCTEOSA-N	-1	3	376.376	3.357	50	5		GGBAHM
CC1=Nc2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3)nn2[C@@H](c2ccccc2)C1	ZINC000100838246	570776462	/nfs/dbraw/zinc/77/64/62/570776462.db2.gz	KMRYRSRGMQBZBX-MRXNPFEDSA-N	-1	3	376.376	3.357	50	5		GGBAHM
CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C2ON1c1ccccc1	ZINC000101054702	570788840	/nfs/dbraw/zinc/78/88/40/570788840.db2.gz	SRVKUUHUJMQTIZ-SQNIBIBYSA-N	-1	3	381.388	3.073	50	5		GGBAHM
CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000018155059	570806372	/nfs/dbraw/zinc/80/63/72/570806372.db2.gz	OQTSTRMAGBTNRN-QRVBRYPASA-N	-1	3	395.415	3.319	50	5		GGBAHM
CCCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000018158200	570806695	/nfs/dbraw/zinc/80/66/95/570806695.db2.gz	RKROBLKADFNWMV-QRVBRYPASA-N	-1	3	395.415	3.463	50	5		GGBAHM
O=[N+]([O-])c1ccc(-c2noc3c([O-])n(-c4ccc5ccccc5c4)c(O)c23)cc1	ZINC000103618103	570887340	/nfs/dbraw/zinc/88/73/40/570887340.db2.gz	GESFOBMJOSOOIB-IEBWSBKVSA-N	-1	3	387.351	3.041	50	5		GGBAHM
O=C(c1ccc2c(c1)C(=O)N(c1ccccc1[O-])C2=O)c1cccc([N+](=O)[O-])c1	ZINC000001085686	206350717	/nfs/dbraw/zinc/35/07/17/206350717.db2.gz	XQEVRCTVSAQGOR-UHFFFAOYSA-N	-1	3	388.335	3.332	50	5		GGBAHM
Cc1nn(C)c(C(=O)NC(=S)[N-]c2ccc(Cl)cc2[N+](=O)[O-])c1Cl	ZINC000004651753	206537605	/nfs/dbraw/zinc/53/76/05/206537605.db2.gz	MZRFMRFDXODGMB-UHFFFAOYSA-N	-1	3	388.236	3.070	50	5		GGBAHM
CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000101047264	208385303	/nfs/dbraw/zinc/38/53/03/208385303.db2.gz	RKROBLKADFNWMV-QYZOEREBSA-N	-1	3	395.415	3.463	50	5		GGBAHM
CCC[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000101041443	208385820	/nfs/dbraw/zinc/38/58/20/208385820.db2.gz	ZKKIRCDRNCNLIV-SQNIBIBYSA-N	-1	3	381.388	3.073	50	5		GGBAHM
COc1ccc([N-]C(=O)c2cc3c(nc4ccccn4c3=O)s2)c([N+](=O)[O-])c1	ZINC000096347293	209013017	/nfs/dbraw/zinc/01/30/17/209013017.db2.gz	HTVLOCSGJGHRMU-UHFFFAOYSA-N	-1	3	396.384	3.078	50	5		GGBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCc1ccccc1Cl	ZINC000005583990	564217381	/nfs/dbraw/zinc/21/73/81/564217381.db2.gz	XCTMAJRUNZTGMT-UHFFFAOYSA-N	-1	3	386.882	3.460	50	5		GGBAHM
O=C([N-]c1nc(-c2ccc(Br)cc2)cs1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006448381	564224243	/nfs/dbraw/zinc/22/42/43/564224243.db2.gz	LKJHWCGVWIQDNK-UHFFFAOYSA-N	-1	3	394.210	3.456	50	5		GGBAHM
O=C([N-]c1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCCC2)cs1	ZINC000004953617	570380874	/nfs/dbraw/zinc/38/08/74/570380874.db2.gz	MPXGNWOFCFYITN-UHFFFAOYSA-N	-1	3	395.462	3.083	50	5		GGBAHM
CCOc1cccc(C(=O)NC(=S)[N-]c2ccc(OC)cc2[N+](=O)[O-])c1	ZINC000004687309	570828367	/nfs/dbraw/zinc/82/83/67/570828367.db2.gz	BAUMIVFGXBMECB-UHFFFAOYSA-N	-1	3	375.406	3.129	50	5		GGBAHM
Cc1ccc2[nH]c(=NC(=S)[N-]C(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1	ZINC000004520464	570839336	/nfs/dbraw/zinc/83/93/36/570839336.db2.gz	VRPLXRJFUXTHQH-UHFFFAOYSA-N	-1	3	386.458	3.370	50	5		GGBAHM
O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1cc2ncc(Br)cn2n1	ZINC000002791996	209385382	/nfs/dbraw/zinc/38/53/82/209385382.db2.gz	RRHIBFLHQUPWCZ-UHFFFAOYSA-N	-1	3	396.588	3.306	50	5		GGBAHM
COC(=O)c1cc(C(=O)[N-]c2nnc(CC(C)(C)C)s2)cc([N+](=O)[O-])c1	ZINC000002821368	209389584	/nfs/dbraw/zinc/38/95/84/209389584.db2.gz	CJEMVAAEQWZJFG-UHFFFAOYSA-N	-1	3	378.410	3.074	50	5		GGBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSc1nc2ccccc2s1	ZINC000002491184	209366805	/nfs/dbraw/zinc/36/68/05/209366805.db2.gz	NJNPGQRTWHCLJW-UHFFFAOYSA-N	-1	3	395.487	3.275	50	5		GGBAHM
CN(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc21	ZINC000010335599	209332922	/nfs/dbraw/zinc/33/29/22/209332922.db2.gz	LGCAIAPGGCNUBN-IBGZPJMESA-N	-1	3	399.472	3.329	50	5		GGBAHM
O=C([N-]n1c(=O)c2ccccc2nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	ZINC000001179558	209310991	/nfs/dbraw/zinc/31/09/91/209310991.db2.gz	SZPUZMYOZQNDCW-UHFFFAOYSA-N	-1	3	386.367	3.356	50	5		GGBAHM
COc1ccc(-n2nc3ccc([N-]C(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1	ZINC000000830455	209270183	/nfs/dbraw/zinc/27/01/83/209270183.db2.gz	UWQMANULSFQEIU-UHFFFAOYSA-N	-1	3	379.332	3.183	50	5		GGBAHM
CCOC(=O)c1c2c(sc1[N-]C(=O)c1c([N+](=O)[O-])cnn1CC)CCCC2	ZINC000000672140	209258077	/nfs/dbraw/zinc/25/80/77/209258077.db2.gz	GHGUOAYYKVIOTA-UHFFFAOYSA-N	-1	3	392.437	3.181	50	5		GGBAHM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12	ZINC000002512851	564188607	/nfs/dbraw/zinc/18/86/07/564188607.db2.gz	JYFNZFPAQODJAH-UHFFFAOYSA-N	-1	3	379.825	3.251	50	5		GGBAHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCc1ccc(Cl)cc1	ZINC000002980921	564192796	/nfs/dbraw/zinc/19/27/96/564192796.db2.gz	CKAQFYDGLHTXNE-UHFFFAOYSA-N	-1	3	386.882	3.460	50	5		GGBAHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccccc1Br	ZINC000004089203	564200407	/nfs/dbraw/zinc/20/04/07/564200407.db2.gz	SAIWOEOKTQNKER-UHFFFAOYSA-N	-1	3	380.223	3.484	50	5		GGBAHM
O=[N+]([O-])c1ccc(NCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1	ZINC000004687456	564205339	/nfs/dbraw/zinc/20/53/39/564205339.db2.gz	YKZAGSKOYDGSCY-UHFFFAOYSA-N	-1	3	390.248	3.292	50	5		GGBAHM
CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C([O-])=C2ON1c1ccccc1	ZINC000137721102	570364409	/nfs/dbraw/zinc/36/44/09/570364409.db2.gz	SRVKUUHUJMQTIZ-FGTMMUONSA-N	-1	3	381.388	3.073	50	5		GGBAHM
COc1ccc(-c2nnc([N-]C(=O)c3ccccc3[N+](=O)[O-])s2)c(OC)c1	ZINC000003227458	1398329510	/nfs/dbraw/zinc/32/95/10/1398329510.db2.gz	SBFYVBCGRGZFNP-UHFFFAOYSA-N	-1	3	386.389	3.383	50	5		GGBAHM
O=C([N-]c1nc(CN2CCc3ccccc3C2)cs1)c1ccc([N+](=O)[O-])o1	ZINC000021681328	1399400618	/nfs/dbraw/zinc/40/06/18/1399400618.db2.gz	UVPLLCWPBDEPHT-UHFFFAOYSA-N	-1	3	384.417	3.455	50	5		GGBAHM
COC(=O)c1cc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc(C(=O)OC)c1	ZINC000001200689	212228813	/nfs/dbraw/zinc/22/88/13/212228813.db2.gz	ORHCKKBAYSNNFG-UHFFFAOYSA-N	-1	3	392.751	3.074	50	5		GGBAHM
O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@@]1([O-])C(F)(F)F	ZINC000000845879	212188292	/nfs/dbraw/zinc/18/82/92/212188292.db2.gz	QYZFHWDKCCIZQU-XJKSGUPXSA-N	-1	3	385.342	3.167	50	5		GGBAHM
O=C(Cc1ccc([N+](=O)[O-])cc1)N1NC2=C(CCCCC2)[C@]1([O-])C(F)(F)F	ZINC000000845877	212188137	/nfs/dbraw/zinc/18/81/37/212188137.db2.gz	QYZFHWDKCCIZQU-BBRMVZONSA-N	-1	3	385.342	3.167	50	5		GGBAHM
O=c1[n-]c(=O)c2ccc3c4ccc5c(=O)[nH]c(=O)c6ccc(c7ccc1c2c73)c4c65	ZINC000000640220	212168137	/nfs/dbraw/zinc/16/81/37/212168137.db2.gz	KJOLVZJFMDVPGB-UHFFFAOYSA-N	-1	3	390.354	3.016	50	5	in-vitro	GGBAHM
COc1ccc(-c2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)c(OC)c1	ZINC000003227443	220612626	/nfs/dbraw/zinc/61/26/26/220612626.db2.gz	MDLADHSIDIXAGV-UHFFFAOYSA-N	-1	3	386.389	3.383	50	5		GGBAHM
COc1ccc(OC)c([N-]c2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)c1	ZINC000004306006	220703888	/nfs/dbraw/zinc/70/38/88/220703888.db2.gz	RZIJYAVXNZJEGA-UHFFFAOYSA-N	-1	3	388.428	3.472	50	5		GGBAHM
COc1cccc(OC)c1C(=O)NC(=S)[N-]c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000005014122	220811680	/nfs/dbraw/zinc/81/16/80/220811680.db2.gz	SRLJLCWXBXCQKW-UHFFFAOYSA-N	-1	3	395.824	3.392	50	5		GGBAHM
COc1cc([N+](=O)[O-])cc2sc([N-]C(=O)c3ccc([N+](=O)[O-])s3)nc21	ZINC000011612121	221117475	/nfs/dbraw/zinc/11/74/75/221117475.db2.gz	UWPDPYBGYZENRM-UHFFFAOYSA-N	-1	3	380.363	3.435	50	5		GGBAHM
O=c1[n-]c(-c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)nc2sc3c(c21)CCCC3	ZINC000017081250	221378615	/nfs/dbraw/zinc/37/86/15/221378615.db2.gz	OJUMEAGOZLCEMW-UHFFFAOYSA-N	-1	3	397.416	3.276	50	5		GGBAHM
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc[nH]c1=O	ZINC000085879589	222325009	/nfs/dbraw/zinc/32/50/09/222325009.db2.gz	SMXXVSIMGNURKQ-UHFFFAOYSA-N	-1	3	376.372	3.266	50	5	biogenic	GGBAHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1	ZINC000005059510	564211714	/nfs/dbraw/zinc/21/17/14/564211714.db2.gz	HWNHWNQJMDCRPD-UHFFFAOYSA-N	-1	3	375.175	3.297	50	5		GGBAHM
Cn1c2ccc(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)cc2n(C)c1=O	ZINC000218214568	570457325	/nfs/dbraw/zinc/45/73/25/570457325.db2.gz	QOONGZAOTXWMTR-UHFFFAOYSA-N	-1	3	385.383	3.420	50	5		GGBAHM
CC(C)OC(=O)c1c([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])sc2c1CCCC2	ZINC000000892519	570708651	/nfs/dbraw/zinc/70/86/51/570708651.db2.gz	ZXVWKGNNDQQQAP-UHFFFAOYSA-N	-1	3	392.437	3.086	50	5		GGBAHM
Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)c([O-])c12	ZINC000007424026	570841194	/nfs/dbraw/zinc/84/11/94/570841194.db2.gz	MBVOLJNFSYUPSU-UHFFFAOYSA-N	-1	3	389.371	3.183	50	5		GGBAHM
CCCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1	ZINC000102729662	570858976	/nfs/dbraw/zinc/85/89/76/570858976.db2.gz	RKROBLKADFNWMV-GUDVDZBRSA-N	-1	3	395.415	3.463	50	5		GGBAHM