pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.4	Datawarrior	0	-1	CC(C)CN(CC(C)C)C(=S)S	CC(C)CN(CC(C)C)C(=S)[S-]	mol12879	CC(C)CN(CC(C)C)C(=S)S
3.4000001	OCHEM	0	-1	CC(C)CN(CC(C)C)C(=S)S	CC(C)CN(CC(C)C)C(=S)[S-]	mol12879	CC(C)CN(CC(C)C)C(=S)S
3.40000009536743	QSARToolbox	0	-1	CC(C)CN(CC(C)C)C(=S)S	CC(C)CN(CC(C)C)C(=S)[S-]	mol12879	CC(C)CN(CC(C)C)C(=S)S