pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1C[NH3+]	CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN	mol18433	CCN(CC)C(=O)C1(c2ccccc2)CC1CN