pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	Datawarrior	0	-1	O=C1C[C@@H](S)C(=O)N1	O=C1C[C@@H]([S-])C(=O)N1	mol12410	O=C1CC(S)C(=O)N1
6.6500001	OCHEM	0	-1	O=C1C[C@@H](S)C(=O)N1	O=C1C[C@@H]([S-])C(=O)N1	mol12410	O=C1CC(S)C(=O)N1
6.7	AttenGpKa training set	0	-1	O=C1C[C@@H](S)C(=O)N1	O=C1C[C@@H]([S-])C(=O)N1	mol12410	O=C1CC(S)C(=O)N1