pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	Datawarrior	0	-1	C[NH+]1CSC[C@@H]1C(=O)[O-]	CN1CSC[C@@H]1C(=O)[O-]	mol13650	CN1CSCC1C(=O)O
6.5999999	OCHEM	0	-1	C[NH+]1CSC[C@@H]1C(=O)[O-]	CN1CSC[C@@H]1C(=O)[O-]	mol13650	CN1CSCC1C(=O)O
1.51	Datawarrior	1	0	C[NH+]1CSC[C@@H]1C(=O)O	C[NH+]1CSC[C@@H]1C(=O)[O-]	mol13650	CN1CSCC1C(=O)O