smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1C	ZINC000003641170	204016724	/nfs/dbraw/zinc/01/67/24/204016724.db2.gz	MBRKDNRTQBIRBK-MHWRWJLKSA-N	-1	1	376.416	1.955	10	10		GDCEMM
COC(=O)[C@@H]1c2cc3c(c([O-])c2C(=O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O	ZINC000004654740	560199063	/nfs/dbraw/zinc/19/90/63/560199063.db2.gz	NIJCZTKHKOATFT-HRAATJIYSA-N	-1	1	396.351	1.467	10	10	in-vitro	GDCEMM
O=C([O-])CN(CC[N@@H+](CC(=O)[O-])Cc1ccccc1O)Cc1ccccc1O	ZINC000019368612	207118160	/nfs/dbraw/zinc/11/81/60/207118160.db2.gz	GRUVVLWKPGIYEG-UHFFFAOYSA-N	-1	1	388.420	1.571	10	10	in-vitro	GDCEMM
COC(=O)Cc1cc2c(c(O)c1C(=O)C[C@H](C)O)C(=O)c1c([O-])cccc1C2=O	ZINC000004654741	560199097	/nfs/dbraw/zinc/19/90/97/560199097.db2.gz	PUVXBJLNMVCYJW-VIFPVBQESA-N	-1	1	398.367	1.542	10	10	in-vitro	GDCEMM
COC(=O)[C@H]1c2cc3c(c([O-])c2C(=O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O	ZINC000004654739	560199082	/nfs/dbraw/zinc/19/90/82/560199082.db2.gz	NIJCZTKHKOATFT-IIBYNOLFSA-N	-1	1	396.351	1.467	10	10	in-vitro	GDCEMM
COC(=O)Cc1cc2c(c(O)c1C(=O)C[C@@H](C)O)C(=O)c1c([O-])cccc1C2=O	ZINC000004654742	560199143	/nfs/dbraw/zinc/19/91/43/560199143.db2.gz	PUVXBJLNMVCYJW-SECBINFHSA-N	-1	1	398.367	1.542	10	10	in-vitro	GDCEMM