pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Baltruschat ChEMBL	1	0	CC1(C)CC[NH+]1Cc1ccc2c(c1)OCO2	CC1(C)CCN1Cc1ccc2c(c1)OCO2	mol20798	CC1(C)CCN1Cc1ccc2c(c1)OCO2