pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.35	OCHEM	0	-1	[NH3+][C@H](Cc1snc(O)c1Br)C(=O)[O-]	[NH3+][C@H](Cc1snc([O-])c1Br)C(=O)[O-],N[C@H](Cc1snc(O)c1Br)C(=O)[O-]	mol32192	NC(Cc1snc(O)c1Br)C(=O)O
1.64	OCHEM	1	0	[NH3+][C@H](Cc1snc(O)c1Br)C(=O)O	[NH3+][C@H](Cc1snc(O)c1Br)C(=O)[O-]	mol32192	NC(Cc1snc(O)c1Br)C(=O)O
8.77	OCHEM	-1	-2	[NH3+][C@H](Cc1snc([O-])c1Br)C(=O)[O-],N[C@H](Cc1snc(O)c1Br)C(=O)[O-]	N[C@H](Cc1snc([O-])c1Br)C(=O)[O-]	mol32192	NC(Cc1snc(O)c1Br)C(=O)O