pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.75	AttenGpKa training set	0	-1	O=C1CNC(=O)[C@H](CS)N1	O=C1CNC(=O)[C@H](C[S-])N1	mol29427	O=C1CNC(=O)C(CS)N1