pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.32	Datawarrior	0	-1	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1	O=C([O-])CSC(c1ccccc1)(c1ccccc1)c1ccccc1	mol14620	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
4.3200002	OCHEM	0	-1	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1	O=C([O-])CSC(c1ccccc1)(c1ccccc1)c1ccccc1	mol14620	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
4.32000017166138	QSARToolbox	0	-1	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1	O=C([O-])CSC(c1ccccc1)(c1ccccc1)c1ccccc1	mol14620	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
4.3	AttenGpKa training set	0	-1	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1	O=C([O-])CSC(c1ccccc1)(c1ccccc1)c1ccccc1	mol14620	O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1