smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C(=O)c1sc(S(=O)(=O)c2ccc(Cl)cc2Cl)nc1Br	ZINC000015444394	520566280	/nfs/dbraw/zinc/56/62/80/520566280.db2.gz	IEHLTFAJAGNBJV-UHFFFAOYSA-N	0	0	472.213	4.527	30	0		JJACRN
O=S(=O)(c1nc2nc(Cl)nc(Cl)c2s1)N(Cc1ccccc1)c1ccccc1	ZINC000015444101	527296741	/nfs/dbraw/zinc/29/67/41/527296741.db2.gz	MXZINSCWERJJLK-UHFFFAOYSA-N	0	0	451.360	4.789	30	0		JJACRN
O=C(Oc1ccccc1)c1sc(S(=O)(=O)c2ccc(Cl)cc2)nc1Br	ZINC000015443501	526446184	/nfs/dbraw/zinc/44/61/84/526446184.db2.gz	IRTQEDKIVASTRQ-UHFFFAOYSA-N	0	0	458.742	4.611	30	0		JJACRN