pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.16	AttenGpKa training set	0	-1	Cc1ccc([NH2+][C@H](C)C(=O)[O-])cc1,Cc1ccc(N[C@H](C)C(=O)O)cc1	Cc1ccc(N[C@H](C)C(=O)[O-])cc1	mol23343	Cc1ccc(NC(C)C(=O)O)cc1