pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.63	AttenGpKa training set	1	0	CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc([NH3+])cc2)cc1	CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1	mol24396	CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
4.22	AttenGpKa training set	1	0	CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc([NH3+])cc2)cc1	CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1	mol24396	CC(C)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1