pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.91	IUPAC digitized pKa	1	0	CCOC(=O)C[NH2+]c1cccc(Cl)c1	CCOC(=O)CNc1cccc(Cl)c1	mol5457	CCOC(=O)CNc1cccc(Cl)c1