pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.78	AttenGpKa training set	0	-1	C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O	C[C@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	mol29954	CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2C1SC(C)(C)[C@@H]2C(=O)O