pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	QSARToolbox	0	-1	COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)O)C(=O)OC2	COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)[O-])C(=O)OC2	mol38591	COc1c(C)c2c(c(O)c1CCC(C)=CCC(=O)O)C(=O)OC2