smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=S)[nH]c([O-])c1C=Nc1cccc(NC=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000003066976	557794565	/nfs/dbraw/zinc/79/45/65/557794565.db2.gz	WEJNMXKOKKAPLE-UHFFFAOYSA-N	-3	3	416.444	-0.660	50	10		HBCAHL
O=C1[N-]C(=S)N=C([O-])C1=CNc1cccc(NC=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000003066976	557794564	/nfs/dbraw/zinc/79/45/64/557794564.db2.gz	WEJNMXKOKKAPLE-UHFFFAOYSA-N	-3	3	416.444	-0.660	50	10		HBCAHL
O=c1[n-]c(=S)[nH]c([O-])c1C=Nc1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000003067016	557794499	/nfs/dbraw/zinc/79/44/99/557794499.db2.gz	ASPTVTHGODACOX-UHFFFAOYSA-N	-3	3	416.444	-0.660	50	10		HBCAHL
O=C1[N-]C(=S)N=C([O-])C1=CNc1ccccc1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000003067016	557794498	/nfs/dbraw/zinc/79/44/98/557794498.db2.gz	ASPTVTHGODACOX-UHFFFAOYSA-N	-3	3	416.444	-0.660	50	10		HBCAHL
O=C1[N-]C(=S)N=C([O-])C1=CNc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1	ZINC000095470955	568626462	/nfs/dbraw/zinc/62/64/62/568626462.db2.gz	WCLCUKHOJPJQNM-UHFFFAOYSA-N	-3	3	416.444	-0.660	50	10		HBCAHL