pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.2	IUPAC digitized pKa	1	0	CSc1nc2nccnc2c[nH+]1,CSc1ncc2nccnc2[nH+]1,CSc1ncc2[nH+]ccnc2n1,CSc1ncc2ncc[nH+]c2n1	CSc1ncc2nccnc2n1	mol4833	CSc1ncc2nccnc2n1
2.20000004768372	QSARToolbox	1	0	CSc1nc2nccnc2c[nH+]1,CSc1ncc2nccnc2[nH+]1,CSc1ncc2[nH+]ccnc2n1,CSc1ncc2ncc[nH+]c2n1	CSc1ncc2nccnc2n1	mol4833	CSc1ncc2nccnc2n1