pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.94	Datawarrior	0	-1	CC(=O)N1CSC[C@H]1C(=O)O	CC(=O)N1CSC[C@H]1C(=O)[O-]	mol14270	CC(=O)N1CSCC1C(=O)O
2.9400001	OCHEM	0	-1	CC(=O)N1CSC[C@H]1C(=O)O	CC(=O)N1CSC[C@H]1C(=O)[O-]	mol14270	CC(=O)N1CSCC1C(=O)O
2.96	AttenGpKa training set	0	-1	CC(=O)N1CSC[C@H]1C(=O)O	CC(=O)N1CSC[C@H]1C(=O)[O-]	mol14270	CC(=O)N1CSCC1C(=O)O