pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.78	Datawarrior	0	-1	CCC[C@H]([C@@H](CC)CO)[C@@H](CC)C(=O)O	CCC[C@H]([C@@H](CC)CO)[C@@H](CC)C(=O)[O-]	mol14278	CCCC(C(CC)CO)C(CC)C(=O)O
4.7800002	OCHEM	0	-1	CCC[C@H]([C@@H](CC)CO)[C@@H](CC)C(=O)O	CCC[C@H]([C@@H](CC)CO)[C@@H](CC)C(=O)[O-]	mol14278	CCCC(C(CC)CO)C(CC)C(=O)O
4.78000020980835	QSARToolbox	0	-1	CCC[C@H]([C@@H](CC)CO)[C@@H](CC)C(=O)O	CCC[C@H]([C@@H](CC)CO)[C@@H](CC)C(=O)[O-]	mol14278	CCCC(C(CC)CO)C(CC)C(=O)O