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)[C@@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCC[NH3+])C(=O)N[C@H](C(N)=O)C(C)C	ZINC000005351087	554488973	/nfs/dbraw/zinc/48/89/73/554488973.db2.gz	ROIJLAXVVBRHOD-WCXIOVBPSA-N	2	3	499.661	-2.042	40	0		JAABHP
CC(C)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](N)CCCC[NH3+])C(C)C)C(N)=O	ZINC000104183772	569842633	/nfs/dbraw/zinc/84/26/33/569842633.db2.gz	ROIJLAXVVBRHOD-QBPKDAKJSA-N	2	3	499.661	-2.042	40	0		JAABHP