pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.93	IUPAC digitized pKa	0	-1	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[n-]2)cc1	mol6644	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1
2.7	IUPAC digitized pKa	1	0	c1ccc(CSc2[nH]c(-c3ccccc3)c(SCc3ccccc3)[nH+]2)cc1	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1	mol6644	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1
2.70000004768372	QSARToolbox	1	0	c1ccc(CSc2[nH]c(-c3ccccc3)c(SCc3ccccc3)[nH+]2)cc1	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1	mol6644	c1ccc(CSc2nc(SCc3ccccc3)c(-c3ccccc3)[nH]2)cc1