pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5999999	OCHEM	0	-1	CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccc([NH3+])cc3)C(=O)N2[C@H]1C(=O)[O-]	CC1(C)S[C@H]2[C@H](NC(=O)Cc3ccc(N)cc3)C(=O)N2[C@H]1C(=O)[O-]	mol32643	CC1(C)SC2C(NC(=O)Cc3ccc(N)cc3)C(=O)N2C1C(=O)O