pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	OCHEM	0	-1	Cc1snc(O)c1C[C@@H]([NH3+])C(=O)[O-]	Cc1snc(O)c1C[C@@H](N)C(=O)[O-],Cc1snc([O-])c1C[C@@H]([NH3+])C(=O)[O-]	mol32191	Cc1snc(O)c1CC(N)C(=O)O
1.84	OCHEM	1	0	Cc1snc(O)c1C[C@@H]([NH3+])C(=O)O	Cc1snc(O)c1C[C@@H]([NH3+])C(=O)[O-]	mol32191	Cc1snc(O)c1CC(N)C(=O)O
10.27	OCHEM	-1	-2	Cc1snc(O)c1C[C@@H](N)C(=O)[O-],Cc1snc([O-])c1C[C@@H]([NH3+])C(=O)[O-]	Cc1snc([O-])c1C[C@@H](N)C(=O)[O-]	mol32191	Cc1snc(O)c1CC(N)C(=O)O