pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03	IUPAC digitized pKa	1	0	CSc1ccc(N)c[nH+]1,CSc1ccc([NH3+])cn1	CSc1ccc(N)cn1	mol6379	CSc1ccc(N)cn1
3.29999995231628	QSARToolbox	1	0	CSc1ccc(N)c[nH+]1,CSc1ccc([NH3+])cn1	CSc1ccc(N)cn1	mol6379	CSc1ccc(N)cn1
-0.579999983310699	QSARToolbox	2	1	CSc1ccc([NH3+])c[nH+]1	CSc1ccc(N)c[nH+]1,CSc1ccc([NH3+])cn1	mol6379	CSc1ccc(N)cn1