pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.813	IUPAC digitized pKa	0	-1	Cc1cc([NH3+])ccc1C(=O)[O-],Cc1cc(N)ccc1C(=O)O	Cc1cc(N)ccc1C(=O)[O-]	mol8471	Cc1cc(N)ccc1C(=O)O
4.83	OCHEM	0	-1	Cc1cc([NH3+])ccc1C(=O)[O-],Cc1cc(N)ccc1C(=O)O	Cc1cc(N)ccc1C(=O)[O-]	mol8471	Cc1cc(N)ccc1C(=O)O
5.01	AttenGpKa training set	0	-1	Cc1cc([NH3+])ccc1C(=O)[O-],Cc1cc(N)ccc1C(=O)O	Cc1cc(N)ccc1C(=O)[O-]	mol8471	Cc1cc(N)ccc1C(=O)O
2.497	IUPAC digitized pKa	1	0	Cc1cc([NH3+])ccc1C(=O)O	Cc1cc([NH3+])ccc1C(=O)[O-],Cc1cc(N)ccc1C(=O)O	mol8471	Cc1cc(N)ccc1C(=O)O
2.7	AttenGpKa training set	1	0	Cc1cc([NH3+])ccc1C(=O)O	Cc1cc([NH3+])ccc1C(=O)[O-],Cc1cc(N)ccc1C(=O)O	mol8471	Cc1cc(N)ccc1C(=O)O