pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	Baltruschat ChEMBL	1	0	COc1ccc(-c2ccc(CCC[NH+](C)C)cc2)cc1	COc1ccc(-c2ccc(CCCN(C)C)cc2)cc1	mol18515	COc1ccc(-c2ccc(CCCN(C)C)cc2)cc1