smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1	ZINC000000193546	368312928	/nfs/dbraw/zinc/31/29/28/368312928.db2.gz	IZAFUWDBROVOBU-UHFFFAOYSA-N	-2	3	297.763	3.155	50	10		CGCAHL
O=C1[N-]C(=S)SC1=Cc1cc(O)c([O-])c(Cl)c1	ZINC000056681516	345167725	/nfs/dbraw/zinc/16/77/25/345167725.db2.gz	ZRFNUHPJGKFVBU-XVNBXDOJSA-N	-2	3	287.749	3.080	50	10		CGCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000100148672	370272964	/nfs/dbraw/zinc/27/29/64/370272964.db2.gz	QUTKCZIUFHFTAW-KAMYIIQDSA-N	-2	3	293.326	3.111	50	10		CGCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1[O-]	ZINC000100148674	397642526	/nfs/dbraw/zinc/64/25/26/397642526.db2.gz	QUTKCZIUFHFTAW-SDNWHVSQSA-N	-2	3	293.326	3.111	50	10		CGCAHL
O=C1[N-]C(=S)C(=Cc2cc(Cl)ccc2[O-])S1	ZINC000012377986	296358988	/nfs/dbraw/zinc/35/89/88/296358988.db2.gz	FSGPCZYCWZUCBJ-YWEYNIOJSA-N	-2	3	271.750	3.170	50	10		CGCAHL
Cc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000004964247	170046064	/nfs/dbraw/zinc/04/60/64/170046064.db2.gz	SOQRGZOIDUBTBZ-UHFFFAOYSA-N	-2	3	297.763	3.155	50	10		CGCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([O-])cc1	ZINC000102094955	185770216	/nfs/dbraw/zinc/77/02/16/185770216.db2.gz	GYZCTWOWKLKPMU-ZDBRSUKYSA-N	-2	3	294.314	3.267	50	10		CGCAHL
COc1cc(C)c(Oc2cc(C)cc(O)c2[O-])c([O-])c1	ZINC000000003968	368269576	/nfs/dbraw/zinc/26/95/76/368269576.db2.gz	JGXPRDVSWGDODG-UHFFFAOYSA-N	-2	3	276.288	3.221	50	10	biogenic,in-vitro	CGCAHL
Cc1cc([O-])c(Cl)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000000065389	368282157	/nfs/dbraw/zinc/28/21/57/368282157.db2.gz	BHPDSJJZJIOYRL-UHFFFAOYSA-N	-2	3	297.763	3.155	50	10		CGCAHL
Cc1cc([N-]S(=O)(=O)c2ccccc2)cc(Cl)c1[O-]	ZINC000000065375	368281622	/nfs/dbraw/zinc/28/16/22/368281622.db2.gz	AZOZNEYSBSEPFH-UHFFFAOYSA-N	-2	3	297.763	3.155	50	10		CGCAHL
O=S(=O)([N-]c1ccc([O-])c2ccccc12)c1ccccc1	ZINC000000068466	368282250	/nfs/dbraw/zinc/28/22/50/368282250.db2.gz	AJVUJXJDOGXUDS-UHFFFAOYSA-N	-2	3	299.351	3.346	50	10		CGCAHL
O=C([O-])c1ccccc1NCc1cc(Cl)ccc1[O-]	ZINC000036891489	397606977	/nfs/dbraw/zinc/60/69/77/397606977.db2.gz	WEIRXBLCHCNAJI-UHFFFAOYSA-N	-2	3	277.707	3.356	50	10		CGCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc([O-])cc1	ZINC000102094967	397646303	/nfs/dbraw/zinc/64/63/03/397646303.db2.gz	GYZCTWOWKLKPMU-HEWTWTGNSA-N	-2	3	294.314	3.267	50	10		CGCAHL