pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.8600001335144	QSARToolbox	-1	-2	CC1=C(C(=O)[O-])N2C(=S)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1	CC1=C(C(=O)[O-])N2C(=S)[C@@H]([N-]C(=O)Cc3ccccc3)[C@H]2SC1	mol37837	CC1=C(C(=O)O)N2C(=S)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1