pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.6	Datawarrior	0	-1	CC(C)=CCC(=O)O	CC(C)=CCC(=O)[O-]	mol12441	CC(C)=CCC(=O)O
4.5999999	OCHEM	0	-1	CC(C)=CCC(=O)O	CC(C)=CCC(=O)[O-]	mol12441	CC(C)=CCC(=O)O
4.59999990463257	QSARToolbox	0	-1	CC(C)=CCC(=O)O	CC(C)=CCC(=O)[O-]	mol12441	CC(C)=CCC(=O)O