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@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)[NH2+]C[C@@H]([NH3+])CS	ZINC000022450223	561759223	/nfs/dbraw/zinc/75/92/23/561759223.db2.gz	PGOKBMWPBDRDGN-IBXSQZDTSA-N	2	1	559.795	1.747	10	30	in-vitro	KDEEMP
CC[C@@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)[NH2+]C[C@@H]([NH3+])CS	ZINC000022966901	553768856	/nfs/dbraw/zinc/76/88/56/553768856.db2.gz	PGOKBMWPBDRDGN-ZXGKGEBGSA-N	2	1	559.795	1.747	10	30	in-vitro	KDEEMP