pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.99	AttenGpKa training set	1	0	COc1ccc(NC(=O)c2ccc([NH3+])cc2)cc1	COc1ccc(NC(=O)c2ccc(N)cc2)cc1	mol24008	COc1ccc(NC(=O)c2ccc(N)cc2)cc1