pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.14	Organic Oxygen Acids and Nitrogen Bases	1	0	CC(C)CO[C@]1(c2ccccc2)C[NH+](C)CCO1	CC(C)CO[C@]1(c2ccccc2)CN(C)CCO1	mol21838	CC(C)COC1(c2ccccc2)CN(C)CCO1