pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	AttenGpKa training set	0	-1	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2O)cc1	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2[O-])cc1	mol26167	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2O)cc1
3.00999999046326	QSARToolbox	1	0	CC(C)(C)c1ccc(Cc2ccc3ccc[nH+]c3c2O)cc1	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2O)cc1	mol26167	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2O)cc1
3.11	AttenGpKa training set	1	0	CC(C)(C)c1ccc(Cc2ccc3ccc[nH+]c3c2O)cc1	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2O)cc1	mol26167	CC(C)(C)c1ccc(Cc2ccc3cccnc3c2O)cc1