pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.5	Baltruschat ChEMBL	1	0	CC1(C)CC[NH+](Cc2ccc3c(c2)OCO3)CC1	CC1(C)CCN(Cc2ccc3c(c2)OCO3)CC1	mol20812	CC1(C)CCN(Cc2ccc3c(c2)OCO3)CC1