pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36999988555908	QSARToolbox	0	-1	CCOC(=O)c1[nH]c(C)c(CC(=O)O)c1C	CCOC(=O)c1[nH]c(C)c(CC(=O)[O-])c1C	mol35875	CCOC(=O)c1[nH]c(C)c(CC(=O)O)c1C
4.3899998664856	QSARToolbox	0	-1	CCOC(=O)c1[nH]c(C)c(CC(=O)O)c1C	CCOC(=O)c1[nH]c(C)c(CC(=O)[O-])c1C	mol35875	CCOC(=O)c1[nH]c(C)c(CC(=O)O)c1C