smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1O[C@]2(C(=C([O-])c3ccc(Cl)cc3)C1=O)C(=O)[N-]C(=O)NC2=O	ZINC000004646023	204151977	/nfs/dbraw/zinc/15/19/77/204151977.db2.gz	KXDWMFGVCYLVKQ-UHFFFAOYSA-N	-2	1	350.670	0.837	50	30		FCEAML
O=C([O-])COc1cccc(/C=N/N=C2/NC(=O)C(CC(=O)[O-])S2)c1	ZINC000006241234	207134023	/nfs/dbraw/zinc/13/40/23/207134023.db2.gz	IOPFSCUJXIQNEY-JFEKIERCSA-N	-2	1	351.340	0.546	50	30		FCEAML
O=C([O-])COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004802052	207050053	/nfs/dbraw/zinc/05/00/53/207050053.db2.gz	JCCGPQKVJVFHJL-JFEKIERCSA-N	-2	1	351.340	0.546	50	30		FCEAML
O=C([O-])COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)cc1	ZINC000004802055	207049586	/nfs/dbraw/zinc/04/95/86/207049586.db2.gz	JCCGPQKVJVFHJL-UWJMNNEMSA-N	-2	1	351.340	0.546	50	30		FCEAML
O=S(=O)([O-])c1ccc2c(c1)[C@@H](S(=O)(=O)[O-])CC(=N\O)/C2=N/O	ZINC000100299950	222240737	/nfs/dbraw/zinc/24/07/37/222240737.db2.gz	KATUVLJHHVKHOG-ICCGXOTQSA-N	-2	1	350.330	0.274	50	30		FCEAML
O=S(=O)([O-])c1ccc2c(c1)[C@H](S(=O)(=O)[O-])CC(=N\O)/C2=N/O	ZINC000100299945	222240162	/nfs/dbraw/zinc/24/01/62/222240162.db2.gz	KATUVLJHHVKHOG-UDNOONFDSA-N	-2	1	350.330	0.274	50	30		FCEAML
O=C([O-])COc1cccc(/C=N/N=C2\NC(=O)C(CC(=O)[O-])S2)c1	ZINC000006241237	487494101	/nfs/dbraw/zinc/49/41/01/487494101.db2.gz	IOPFSCUJXIQNEY-UWJMNNEMSA-N	-2	1	351.340	0.546	50	30		FCEAML