pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	1	0	COc1cc(N)ccc1-c1ccc([NH3+])cc1OC	COc1cc(N)ccc1-c1ccc(N)cc1OC	mol24027	COc1cc(N)ccc1-c1ccc(N)cc1OC