smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C(=O)OC)c1C	ZINC000514295285	1059098078	/nfs/dbraw/zinc/09/80/78/1059098078.db2.gz	BKBHMONYBSZDJZ-AWEZNQCLSA-N	-1	0	559.644	2.885	20	5		KFBDRM
COC(=O)c1sc(S(=O)(=O)[N-][C@H](CCSC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C(=O)OC)c1C	ZINC000514295286	1059098037	/nfs/dbraw/zinc/09/80/37/1059098037.db2.gz	BKBHMONYBSZDJZ-CQSZACIVSA-N	-1	0	559.644	2.885	20	5		KFBDRM
CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)[N-]c3cc([N+](=O)[O-])ccc3OC)c2)CC1	ZINC000514295321	1059098917	/nfs/dbraw/zinc/09/89/17/1059098917.db2.gz	DAPHUJOVWWBZDX-UHFFFAOYSA-N	-1	0	521.548	2.828	20	5		KFBDRM
CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	ZINC000514299647	1059174529	/nfs/dbraw/zinc/17/45/29/1059174529.db2.gz	IOGZSMBTPVLANX-UHFFFAOYSA-N	-1	0	519.985	2.777	20	5		KFBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCCCCC2=O)cc1	ZINC000514300886	1059188877	/nfs/dbraw/zinc/18/88/77/1059188877.db2.gz	RSBMWJZJACSBGG-UHFFFAOYSA-N	-1	0	504.565	2.927	20	5		KFBDRM
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000514380763	1059228126	/nfs/dbraw/zinc/22/81/26/1059228126.db2.gz	PNRVJJKTGLSBRS-UHFFFAOYSA-N	-1	0	512.610	2.571	20	5		KFBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)cc1	ZINC000514387771	1059325948	/nfs/dbraw/zinc/32/59/48/1059325948.db2.gz	LLUVMKJWSQFBPO-BGYRXZFFSA-N	-1	0	573.672	2.667	20	5		KFBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1	ZINC000514387772	1059325985	/nfs/dbraw/zinc/32/59/85/1059325985.db2.gz	LLUVMKJWSQFBPO-PMACEKPBSA-N	-1	0	573.672	2.667	20	5		KFBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000514387773	1059325902	/nfs/dbraw/zinc/32/59/02/1059325902.db2.gz	LLUVMKJWSQFBPO-WOJBJXKFSA-N	-1	0	573.672	2.667	20	5		KFBDRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c1	ZINC000514389242	1059335545	/nfs/dbraw/zinc/33/55/45/1059335545.db2.gz	DNRXJFPSJBRHQY-UHFFFAOYSA-N	-1	0	559.645	2.565	20	5		KFBDRM
CCNc1ccc(S(=O)(=O)N(CC)CC)cc1[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	ZINC000514403492	1059373427	/nfs/dbraw/zinc/37/34/27/1059373427.db2.gz	ZGYRQNWGYGDATK-UHFFFAOYSA-N	-1	0	514.582	2.645	20	5		KFBDRM