pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	AttenGpKa training set	0	-1	[NH3+]c1nccnc1C(=O)[O-],Nc1nccnc1C(=O)O	Nc1nccnc1C(=O)[O-]	mol3975	Nc1nccnc1C(=O)O