pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.4	Baltruschat ChEMBL	1	0	CC1(C)CCC[NH+](Cc2ccc3c(c2)OCO3)C1	CC1(C)CCCN(Cc2ccc3c(c2)OCO3)C1	mol20809	CC1(C)CCCN(Cc2ccc3c(c2)OCO3)C1