pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	AttenGpKa training set	1	0	Cc1ccccc1COC[C@H]1C[NH+]=C(N)O1	Cc1ccccc1COC[C@H]1CN=C(N)O1	mol30279	Cc1ccccc1COCC1CN=C(N)O1