smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000263993099	530077998	/nfs/dbraw/zinc/07/79/98/530077998.db2.gz	IJKIDPNYPPNRCJ-UHFFFAOYSA-N	-2	3	375.315	-1.155	20	5		GABDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000273331180	530170246	/nfs/dbraw/zinc/17/02/46/530170246.db2.gz	JSVLSZAODPJMIE-UHFFFAOYSA-N	-2	3	375.315	-1.140	20	5		GABDHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274898339	530173111	/nfs/dbraw/zinc/17/31/11/530173111.db2.gz	HKYRYQJYQMMOSZ-LURJTMIESA-N	-2	3	375.315	-1.027	20	5		GABDHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)[O-]	ZINC000274898340	530173525	/nfs/dbraw/zinc/17/35/25/530173525.db2.gz	HKYRYQJYQMMOSZ-ZCFIWIBFSA-N	-2	3	375.315	-1.027	20	5		GABDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-]	ZINC000274941729	530106985	/nfs/dbraw/zinc/10/69/85/530106985.db2.gz	RCYKTKNHGGWKRD-MRVPVSSYSA-N	-2	3	375.315	-1.012	20	5		GABDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-]	ZINC000274941733	530096338	/nfs/dbraw/zinc/09/63/38/530096338.db2.gz	RCYKTKNHGGWKRD-QMMMGPOBSA-N	-2	3	375.315	-1.012	20	5		GABDHL