pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.34	Datawarrior	0	-1	O=C1CSCC(=O)C1	O=C1[CH-]C(=O)CSC1,O=C1[CH-]SCC(=O)C1	mol12342	O=C1CSCC(=O)C1
4.3400002	OCHEM	0	-1	O=C1CSCC(=O)C1	O=C1[CH-]C(=O)CSC1,O=C1[CH-]SCC(=O)C1	mol12342	O=C1CSCC(=O)C1
4.25	AttenGpKa training set	0	-1	O=C1CSCC(=O)C1	O=C1[CH-]C(=O)CSC1,O=C1[CH-]SCC(=O)C1	mol12342	O=C1CSCC(=O)C1