smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOP(=O)([N-]C(=S)Nc1ccccc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1)OCC	ZINC000004217615	561694580	/nfs/dbraw/zinc/69/45/80/561694580.db2.gz	NDXFLHPUUKVXLQ-UHFFFAOYSA-N	-2	1	500.539	3.973	10	0	in-man	KHAEML
Cc1ccccc1S(=O)(=O)[N-]c1ccc2nc(N3CCN(c4ccccn4)CC3)cc(C(=O)[O-])c2c1	ZINC000033256378	553915632	/nfs/dbraw/zinc/91/56/32/553915632.db2.gz	MFWKLXYUDWNYPQ-UHFFFAOYSA-N	-2	1	503.584	3.764	10	0		KHAEML
CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc([N-]S(=O)(=O)c4ccccc4)ccc3c2c1)C(=O)[O-]	ZINC000040914758	562083933	/nfs/dbraw/zinc/08/39/33/562083933.db2.gz	XWRCGYJBDCRHCY-JOCHJYFZSA-N	-2	1	502.570	3.774	10	0		KHAEML