pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	AttenGpKa training set	0	-1	C[NH2+]C[C@@H](O)c1ccc([O-])c(OC)c1,CNC[C@@H](O)c1ccc(O)c(OC)c1	CNC[C@@H](O)c1ccc([O-])c(OC)c1	mol24406	CNCC(O)c1ccc(O)c(OC)c1
8.59	AttenGpKa training set	1	0	C[NH2+]C[C@@H](O)c1ccc(O)c(OC)c1	C[NH2+]C[C@@H](O)c1ccc([O-])c(OC)c1,CNC[C@@H](O)c1ccc(O)c(OC)c1	mol24406	CNCC(O)c1ccc(O)c(OC)c1