pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	-1	-2	C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)[O-],C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)[O-]	C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)[O-]	mol18572	C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)O