smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=N[N-]c1ccccc1S(=O)(=O)[O-]	ZINC000104226541	557322759	/nfs/dbraw/zinc/32/27/59/557322759.db2.gz	KDJJLUZTXQJTOF-QJQDQWMRSA-N	-3	3	427.420	1.175	40	30		IDEBHL
CC[C@H](C)[C@H](NC(=O)[C@@H](CC(=O)N[O-])Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000003791295	557850966	/nfs/dbraw/zinc/85/09/66/557850966.db2.gz	MWZOULASPWUGJJ-NFBUACBFSA-N	-2	3	449.548	1.887	40	30	in-vitro	IDEBHL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=N[N-]c1ccccc1S(=O)(=O)[O-]	ZINC000104226532	557322416	/nfs/dbraw/zinc/32/24/16/557322416.db2.gz	KDJJLUZTXQJTOF-YNYPCVJTSA-N	-3	3	427.420	1.175	40	30		IDEBHL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=N[N-]c1ccccc1S(=O)(=O)[O-]	ZINC000104226538	557322743	/nfs/dbraw/zinc/32/27/43/557322743.db2.gz	KDJJLUZTXQJTOF-XVAPFDQUSA-N	-3	3	427.420	1.175	40	30		IDEBHL
NC(=O)C(N=Nc1ccccc1S(=O)(=O)[O-])=N[N-]c1ccccc1S(=O)(=O)[O-]	ZINC000104226525	557322489	/nfs/dbraw/zinc/32/24/89/557322489.db2.gz	KDJJLUZTXQJTOF-UJYJBITFSA-N	-3	3	427.420	1.175	40	30		IDEBHL