pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.145	AttenGpKa training set	1	0	CO[C@H]1C=CC=C(C[NH3+])C1=O	CO[C@H]1C=CC=C(CN)C1=O	mol24259	COC1C=CC=C(CN)C1=O