pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.3999996185303	QSARToolbox	-1	-2	Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)[O-])cc1	Cc1ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])cc1	mol37400	Cc1ccc(S(=O)(=O)N[C@@H](CC(N)=O)C(=O)O)cc1