pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	Datawarrior	0	-1	CCOc1cccc(C(=O)O)c1	CCOc1cccc(C(=O)[O-])c1	mol5607	CCOc1cccc(C(=O)O)c1
4.1700001	OCHEM	0	-1	CCOc1cccc(C(=O)O)c1	CCOc1cccc(C(=O)[O-])c1	mol5607	CCOc1cccc(C(=O)O)c1
4.17000007629395	QSARToolbox	0	-1	CCOc1cccc(C(=O)O)c1	CCOc1cccc(C(=O)[O-])c1	mol5607	CCOc1cccc(C(=O)O)c1
4.14	AttenGpKa training set	0	-1	CCOc1cccc(C(=O)O)c1	CCOc1cccc(C(=O)[O-])c1	mol5607	CCOc1cccc(C(=O)O)c1