pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	IUPAC digitized pKa	0	-1	Nc1cc(C(=O)O)cc2ccccc12,[NH3+]c1cc(C(=O)[O-])cc2ccccc12	Nc1cc(C(=O)[O-])cc2ccccc12	mol5296	Nc1cc(C(=O)O)cc2ccccc12
2.89	IUPAC digitized pKa	1	0	[NH3+]c1cc(C(=O)O)cc2ccccc12	Nc1cc(C(=O)O)cc2ccccc12,[NH3+]c1cc(C(=O)[O-])cc2ccccc12	mol5296	Nc1cc(C(=O)O)cc2ccccc12