pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.055	AttenGpKa training set	0	-1	CC(=O)Nc1cc(C(=O)O)ccc1C(=O)O	CC(=O)Nc1cc(C(=O)O)ccc1C(=O)[O-],CC(=O)Nc1cc(C(=O)[O-])ccc1C(=O)O	mol22979	CC(=O)Nc1cc(C(=O)O)ccc1C(=O)O