pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.15	Datawarrior	0	-1	CCC(C)=CC(=O)O	CCC(C)=CC(=O)[O-]	mol12443	CCC(C)=CC(=O)O
5.14	Datawarrior	0	-1	CCC(C)=CC(=O)O	CCC(C)=CC(=O)[O-]	mol12443	CCC(C)=CC(=O)O
5.145	OCHEM	0	-1	CCC(C)=CC(=O)O	CCC(C)=CC(=O)[O-]	mol12443	CCC(C)=CC(=O)O
5.13	OCHEM	0	-1	CCC(C)=CC(=O)O	CCC(C)=CC(=O)[O-]	mol12443	CCC(C)=CC(=O)O
5.15000009536743	QSARToolbox	0	-1	CCC(C)=CC(=O)O	CCC(C)=CC(=O)[O-]	mol12443	CCC(C)=CC(=O)O
5.13000011444092	QSARToolbox	0	-1	CCC(C)=CC(=O)O	CCC(C)=CC(=O)[O-]	mol12443	CCC(C)=CC(=O)O