pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.85	Datawarrior	0	-1	Sc1nnco1	[S-]c1nnco1	mol15839	Sc1nnco1
3.8499999	OCHEM	0	-1	Sc1nnco1	[S-]c1nnco1	mol15839	Sc1nnco1