pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.72	IUPAC digitized pKa	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
11.56	IUPAC digitized pKa	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
11.64	OCHEM	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
11.6000003814697	QSARToolbox	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
11.7200002670288	QSARToolbox	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
11.5600004196167	QSARToolbox	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
11.57	AttenGpKa training set	0	-1	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1	CC(C)(C)c1ccc([O-])c(C(C)(C)C)c1	mol2027	CC(C)(C)c1ccc(O)c(C(C)(C)C)c1