smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)cc1	ZINC000059248154	554386903	/nfs/dbraw/zinc/38/69/03/554386903.db2.gz	IIVHJTXAWOYHMQ-CIAFOILYSA-N	-2	2	503.467	3.166	40	10		KGCBLL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	ZINC000101434828	554771876	/nfs/dbraw/zinc/77/18/76/554771876.db2.gz	HDNQBCYVSXCYCC-CIKBWMHTSA-N	-2	2	565.632	3.333	40	10		KGCBLL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S	ZINC000101434833	554771890	/nfs/dbraw/zinc/77/18/90/554771890.db2.gz	HDNQBCYVSXCYCC-SLVCOGOPSA-N	-2	2	565.632	3.333	40	10		KGCBLL
O=C([O-])c1ccccc1S(=O)(=O)[N-]c1nc(-c2csc(NS(=O)(=O)c3ccccc3C(=O)[O-])n2)cs1	ZINC000104841580	571386906	/nfs/dbraw/zinc/38/69/06/571386906.db2.gz	ZSKHJDNBCLQCQC-UHFFFAOYSA-N	-3	2	566.620	3.265	40	10		KGCBLL
O=C([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2csc(NS(=O)(=O)c3ccccc3C(=O)[O-])n2)cs1	ZINC000104841580	571386904	/nfs/dbraw/zinc/38/69/04/571386904.db2.gz	ZSKHJDNBCLQCQC-UHFFFAOYSA-N	-2	2	566.620	3.265	40	10		KGCBLL
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4cc(C(=O)[O-])cc(C(=O)[O-])c4)c3C)C2=O)c(OC)c1	ZINC000408942702	1059777216	/nfs/dbraw/zinc/77/72/16/1059777216.db2.gz	LABPYBYVQJXZIQ-RGVLZGJSSA-N	-2	2	533.493	3.174	40	10		KGCBLL