pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	Baltruschat ChEMBL	1	0	COc1ccc2c(c1)[NH+](CCN(C)C)CCO2,COc1ccc2c(c1)N(CC[NH+](C)C)CCO2	COc1ccc2c(c1)N(CCN(C)C)CCO2	mol20769	COc1ccc2c(c1)N(CCN(C)C)CCO2