smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc12	ZINC000161286122	441981272	/nfs/dbraw/zinc/98/12/72/441981272.db2.gz	ZKAYNCSRBJWRSM-UHFFFAOYSA-N	-2	3	336.348	1.922	20	70		EDIDHL
CCc1cc(=O)[n-]c(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)n1	ZINC000160782246	441920035	/nfs/dbraw/zinc/92/00/35/441920035.db2.gz	VWASTJBMVRDODM-UHFFFAOYSA-N	-2	3	342.399	1.408	20	70		EDIDHL
Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4nc[nH]n4)n3)n[n-]2)o1	ZINC000160333768	441872392	/nfs/dbraw/zinc/87/23/92/441872392.db2.gz	DJRRCZFLRCUNGC-UHFFFAOYSA-N	-2	3	342.344	1.867	20	70		EDIDHL
CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2F)n[n-]1	ZINC000160873370	441929528	/nfs/dbraw/zinc/92/95/28/441929528.db2.gz	MKTVGPTZGIIMIF-UHFFFAOYSA-N	-2	3	327.337	1.667	20	70		EDIDHL