smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)[O-]	ZINC000001640920	555707871	/nfs/dbraw/zinc/70/78/71/555707871.db2.gz	KGURCQKMBRSUMP-JTQLQIEISA-N	-2	2	435.461	0.614	40	0		ICABLL
Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)=N2	ZINC000004517559	555999396	/nfs/dbraw/zinc/99/93/96/555999396.db2.gz	OZRNSSUDZOLUSN-GFCCVEGCSA-N	-2	2	443.420	0.010	40	0	in-vivo	ICABLL
O=C([O-])[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)[O-]	ZINC000008614202	556192207	/nfs/dbraw/zinc/19/22/07/556192207.db2.gz	KGURCQKMBRSUMP-SNVBAGLBSA-N	-2	2	435.461	0.614	40	0		ICABLL
O=C([O-])CC[C@@H](NC(=O)c1ccc(NCc2c[nH]c3nc(=O)[nH]c(=O)c-3n2)cc1)C(=O)[O-]	ZINC000017421394	556677090	/nfs/dbraw/zinc/67/70/90/556677090.db2.gz	KFTXGCKSLKYBTJ-GFCCVEGCSA-N	-2	2	442.388	0.079	40	0		ICABLL
COc1cc(O)c(C(=O)c2ccc(S(=O)(=O)[O-])c(OC)c2O)cc1S(=O)(=O)[O-]	ZINC000095933542	568936676	/nfs/dbraw/zinc/93/66/76/568936676.db2.gz	WFMIKTMPPQYEHW-UHFFFAOYSA-N	-2	2	434.400	0.839	40	0		ICABLL