pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.82	AttenGpKa training set	1	0	COc1ccc(-n2ccc(N)[nH+]2)cc1,COc1ccc(-n2ccc([NH3+])n2)cc1	COc1ccc(-n2ccc(N)n2)cc1	mol25471	COc1ccc(-n2ccc(N)n2)cc1