pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.43	OCHEM	0	-1	CCC(C)(C)c1ccc(O)cc1	CCC(C)(C)c1ccc([O-])cc1	mol30557	CCC(C)(C)c1ccc(O)cc1
10.4	OCHEM	0	-1	CCC(C)(C)c1ccc(O)cc1	CCC(C)(C)c1ccc([O-])cc1	mol30557	CCC(C)(C)c1ccc(O)cc1
10.23	OCHEM	0	-1	CCC(C)(C)c1ccc(O)cc1	CCC(C)(C)c1ccc([O-])cc1	mol30557	CCC(C)(C)c1ccc(O)cc1
10.3	AttenGpKa training set	0	-1	CCC(C)(C)c1ccc(O)cc1	CCC(C)(C)c1ccc([O-])cc1	mol30557	CCC(C)(C)c1ccc(O)cc1