pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.97	AttenGpKa training set	1	0	C/[NH+]=C(\N)[S@](=O)O	C/[NH+]=C(\N)[S@](=O)[O-]	mol28011	C/N=C(\N)S(=O)O