pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.73	IUPAC digitized pKa	1	0	CCOC(=O)c1cccnc1[NH3+],CCOC(=O)c1ccc[nH+]c1N	CCOC(=O)c1cccnc1N	mol1589	CCOC(=O)c1cccnc1N