pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82	Datawarrior	0	-1	CCCS[C@H](C)C(=O)O	CCCS[C@H](C)C(=O)[O-]	mol13476	CCCSC(C)C(=O)O
3.8199999	OCHEM	0	-1	CCCS[C@H](C)C(=O)O	CCCS[C@H](C)C(=O)[O-]	mol13476	CCCSC(C)C(=O)O
3.8199999332428	QSARToolbox	0	-1	CCCS[C@H](C)C(=O)O	CCCS[C@H](C)C(=O)[O-]	mol13476	CCCSC(C)C(=O)O