pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.83	Datawarrior	0	-1	CC(C)(C)CCC(=O)O	CC(C)(C)CCC(=O)[O-]	mol13474	CC(C)(C)CCC(=O)O
4.81	OCHEM	0	-1	CC(C)(C)CCC(=O)O	CC(C)(C)CCC(=O)[O-]	mol13474	CC(C)(C)CCC(=O)O
4.8299999	OCHEM	0	-1	CC(C)(C)CCC(=O)O	CC(C)(C)CCC(=O)[O-]	mol13474	CC(C)(C)CCC(=O)O
4.82999992370606	QSARToolbox	0	-1	CC(C)(C)CCC(=O)O	CC(C)(C)CCC(=O)[O-]	mol13474	CC(C)(C)CCC(=O)O