pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.76	Datawarrior	0	-1	CCCC[C@H](CC)C(=O)O	CCCC[C@H](CC)C(=O)[O-]	mol13097	CCCCC(CC)C(=O)O
4.7600002	OCHEM	0	-1	CCCC[C@H](CC)C(=O)O	CCCC[C@H](CC)C(=O)[O-]	mol13097	CCCCC(CC)C(=O)O
4.69999980926514	QSARToolbox	0	-1	CCCC[C@H](CC)C(=O)O	CCCC[C@H](CC)C(=O)[O-]	mol13097	CCCCC(CC)C(=O)O
4.76000022888184	QSARToolbox	0	-1	CCCC[C@H](CC)C(=O)O	CCCC[C@H](CC)C(=O)[O-]	mol13097	CCCCC(CC)C(=O)O