pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	AttenGpKa training set	0	-1	CNc1cc(C(=O)OC)ccc1C(=O)O,C[NH2+]c1cc(C(=O)OC)ccc1C(=O)[O-]	CNc1cc(C(=O)OC)ccc1C(=O)[O-]	mol22917	CNc1cc(C(=O)OC)ccc1C(=O)O