pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Baltruschat ChEMBL	-1	-2	CC1=C(C(=O)[O-])N[C@@H]([C@@H]2NC(=O)[C@H](c3ccccc3)N=C2S)SC1	CC1=C(C(=O)[O-])N[C@@H]([C@@H]2NC(=O)[C@H](c3ccccc3)N=C2[S-])SC1	mol16197	CC1=C(C(=O)O)N[C@@H](C2NC(=O)C(c3ccccc3)N=C2S)SC1