pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.66	IUPAC digitized pKa	1	0	COc1ccc2c[n+](O)cnc2c1,COc1ccc2c[n+]([O-])c[nH+]c2c1	COc1ccc2c[n+]([O-])cnc2c1	mol4657	COc1ccc2c[n+]([O-])cnc2c1
0.96	IUPAC digitized pKa	1	0	COc1ccc2c[n+](O)cnc2c1,COc1ccc2c[n+]([O-])c[nH+]c2c1	COc1ccc2c[n+]([O-])cnc2c1	mol4657	COc1ccc2c[n+]([O-])cnc2c1