smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1c(/C=N/[O-])cc(C(=O)[O-])cc1NC(=N)N	ZINC000014944671	181976373	/nfs/dbraw/zinc/97/63/73/181976373.db2.gz	LUPXAHRVBCUICH-YIXHJXPBSA-N	-2	3	315.311	-0.130	1	30		DBEFHL
O=C(COP(=O)([O-])[O-])N([O-])CCCCOP(=O)([O-])[O-]	ZINC000058638510	184125645	/nfs/dbraw/zinc/12/56/45/184125645.db2.gz	GZQWGEFAYHQQKX-UHFFFAOYSA-N	-5	3	323.131	-0.797	1	30	in-vitro	DBEFHL
COc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)N[O-])cc1	ZINC000040407300	183062022	/nfs/dbraw/zinc/06/20/22/183062022.db2.gz	QVAVQQVTOJMLHH-UHFFFAOYSA-N	-2	3	318.307	-0.724	1	30		DBEFHL
COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)N[O-])cc1	ZINC000095563047	185379967	/nfs/dbraw/zinc/37/99/67/185379967.db2.gz	SVDBKWSQQMOYMC-VIFPVBQESA-N	-2	3	318.307	-0.678	1	30		DBEFHL