pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.42	OCHEM	1	0	COc1ccc(C(=O)/C(=N/O)SCCC[NH+](C)C)cc1	COc1ccc(C(=O)/C(=N/O)SCCCN(C)C)cc1,COc1ccc(C(=O)/C(=N/[O-])SCCC[NH+](C)C)cc1	mol20721	COc1ccc(C(=O)/C(=N/O)SCCCN(C)C)cc1