pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.756	IUPAC digitized pKa	0	-1	CCc1cc([NH3+])cc(CC)c1C(=O)[O-],CCc1cc(N)cc(CC)c1C(=O)O	CCc1cc(N)cc(CC)c1C(=O)[O-]	mol8468	CCc1cc(N)cc(CC)c1C(=O)O
4.76	AttenGpKa training set	0	-1	CCc1cc([NH3+])cc(CC)c1C(=O)[O-],CCc1cc(N)cc(CC)c1C(=O)O	CCc1cc(N)cc(CC)c1C(=O)[O-]	mol8468	CCc1cc(N)cc(CC)c1C(=O)O
2.579	IUPAC digitized pKa	1	0	CCc1cc([NH3+])cc(CC)c1C(=O)O	CCc1cc([NH3+])cc(CC)c1C(=O)[O-],CCc1cc(N)cc(CC)c1C(=O)O	mol8468	CCc1cc(N)cc(CC)c1C(=O)O
2.78	AttenGpKa training set	1	0	CCc1cc([NH3+])cc(CC)c1C(=O)O	CCc1cc([NH3+])cc(CC)c1C(=O)[O-],CCc1cc(N)cc(CC)c1C(=O)O	mol8468	CCc1cc(N)cc(CC)c1C(=O)O