smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000003869303	571684031	/nfs/dbraw/zinc/68/40/31/571684031.db2.gz	XQYALQVLCNHCFT-CBAPKCEASA-N	-3	0	402.362	-1.512	10	30	endogenous,in-man	HAEERL
C[C@@]12O[C@@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@]4(O)C(=O)C(=C([O-])c5c(O)cccc51)[C@@H]2C[C@@H]34	ZINC000103588834	559156424	/nfs/dbraw/zinc/15/64/24/559156424.db2.gz	PYRCRQHAOANZLZ-NHTBUTQISA-N	-2	0	415.354	-1.045	10	30	in-vitro	HAEERL
C[C@@]12O[C@@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@]4(O)C(=O)C(=C([O-])c5c(O)cccc51)[C@@H]2C[C@@H]34	ZINC000103588838	559156407	/nfs/dbraw/zinc/15/64/07/559156407.db2.gz	PYRCRQHAOANZLZ-SBVPAUPYSA-N	-2	0	415.354	-1.045	10	30	in-vitro	HAEERL