pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.4	OCHEM	0	-1	CCOC(=O)[C@H](CCc1ccccc1)[NH2+][C@@H](C)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)[O-]	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)[O-]	mol18570	CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)O