smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C(=CNCCC(=O)[O-])C(=O)N(C)C1=O	ZINC000019691280	372796860	/nfs/dbraw/zinc/79/68/60/372796860.db2.gz	IIKUKXRSCQVSMF-UHFFFAOYSA-N	-1	0	255.230	-1.015	40	10		CACBRM
O=C([O-])CNC(=O)CNC=C1SC(=S)NC1=O	ZINC000618254662	373594076	/nfs/dbraw/zinc/59/40/76/373594076.db2.gz	GHQYXGHKRTYMNQ-RJRFIUFISA-N	-1	0	275.311	-1.234	40	10		CACBRM
CN1C(=O)[N-]C(=O)C(=CNC(N)=N[N+](=O)[O-])C1=O	ZINC000408536727	277016184	/nfs/dbraw/zinc/01/61/84/277016184.db2.gz	ARODCFVHHLMAHQ-NSCUHMNNSA-N	-1	0	256.178	-2.116	40	10		CACBRM
COCCOCCCNC=C1C(=O)[N-]C(=O)NC1=O	ZINC000024335139	372803189	/nfs/dbraw/zinc/80/31/89/372803189.db2.gz	BWNCPNPRLFLGJO-UHFFFAOYSA-N	-1	0	271.273	-1.121	40	10		CACBRM