smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)O[C@@H]1c2c(c3c(=O)c4cccc(=O)c-4c(O)c=3c2=[N+]=N)[C@H](O)[C@@H](OC(C)=O)[C@]1(C)O	ZINC000016346939	563013027	/nfs/dbraw/zinc/01/30/27/563013027.db2.gz	KPVVXTRWIKTJBS-DXBBTUNJSA-N	1	0	454.391	-0.669	1	10	in-vitro	JBCFRO
O=C([O-])C[NH2+]CCNc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000031414874	563107965	/nfs/dbraw/zinc/10/79/65/563107965.db2.gz	ATIAHAUGEJHHNT-UHFFFAOYSA-N	1	0	458.471	-0.047	1	10		JBCFRO