smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000019931521	556948839	/nfs/dbraw/zinc/94/88/39/556948839.db2.gz	YHGMMYARFJYNSN-UHFFFAOYSA-N	-2	1	436.540	2.800	40	0		IFABML
O=C([O-])CN1C(=O)S/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O	ZINC000409144776	557312250	/nfs/dbraw/zinc/31/22/50/557312250.db2.gz	PWMVTCNRYCCKNK-KRXBUXKQSA-N	-2	1	439.614	2.771	40	0		IFABML
CCCCNC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000002685642	569416850	/nfs/dbraw/zinc/41/68/50/569416850.db2.gz	WXBHMVXALFGBMM-UHFFFAOYSA-N	-2	1	425.532	2.584	40	0		IFABML
COc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ccc1F	ZINC000408678958	556073592	/nfs/dbraw/zinc/07/35/92/556073592.db2.gz	LIFHZRYRJZALIA-UHFFFAOYSA-N	-2	1	443.503	2.892	40	0		IFABML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1OC	ZINC000016978390	556652075	/nfs/dbraw/zinc/65/20/75/556652075.db2.gz	OUEGAFODGIOOBY-UHFFFAOYSA-N	-2	1	449.510	2.700	40	0		IFABML