pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.27	AttenGpKa training set	1	0	CCCOC(=O)[C@H](C)C[NH+](C)C	CCCOC(=O)[C@H](C)CN(C)C	mol29432	CCCOC(=O)C(C)CN(C)C