smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000159653389	531789752	/nfs/dbraw/zinc/78/97/52/531789752.db2.gz	MNDMXRIIIUDQDS-DOTOQJQBSA-N	2	0	385.599	2.463	20	70		GEIDRP
C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000159653647	531789260	/nfs/dbraw/zinc/78/92/60/531789260.db2.gz	MNDMXRIIIUDQDS-RDJZCZTQSA-N	2	0	385.599	2.463	20	70		GEIDRP
C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000159653498	531789691	/nfs/dbraw/zinc/78/96/91/531789691.db2.gz	MNDMXRIIIUDQDS-NVXWUHKLSA-N	2	0	385.599	2.463	20	70		GEIDRP
C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1	ZINC000159653788	531790384	/nfs/dbraw/zinc/79/03/84/531790384.db2.gz	MNDMXRIIIUDQDS-WBVHZDCISA-N	2	0	385.599	2.463	20	70		GEIDRP