pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.3	OCHEM	2	1	NC1=[NH+][C@H]2C[C@@H](N1)[NH2+][C@@H]2C(=O)O	NC1=[NH+][C@H]2C[C@@H](N1)[NH2+][C@@H]2C(=O)[O-]	mol32547	NC1=NC2CC(N1)NC2C(=O)O
12.6	OCHEM	-1	-2	NC1=N[C@H]2C[C@@H](N1)N[C@@H]2C(=O)[O-]	[NH-]C1=N[C@H]2C[C@@H](N1)N[C@@H]2C(=O)[O-],NC1=N[C@H]2C[C@@H]([N-]1)N[C@@H]2C(=O)[O-],[NH-]C1=N[C@H]2C[C@@H]([N-]1)N[C@@H]2C(=O)O	mol32547	NC1=NC2CC(N1)NC2C(=O)O