pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.45	AttenGpKa training set	1	0	CCOC(=O)[C@]1(c2ccccc2)CCC[NH+](C)CC1	CCOC(=O)[C@]1(c2ccccc2)CCCN(C)CC1	mol29698	CCOC(=O)C1(c2ccccc2)CCCN(C)CC1