pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	IUPAC digitized pKa	1	0	CSc1nccc(N)[nH+]1,CSc1nccc([NH3+])n1,CSc1nc(N)cc[nH+]1	CSc1nccc(N)n1	mol7106	CSc1nccc(N)n1
4.8899998664856	QSARToolbox	1	0	CSc1nccc(N)[nH+]1,CSc1nccc([NH3+])n1,CSc1nc(N)cc[nH+]1	CSc1nccc(N)n1	mol7106	CSc1nccc(N)n1
4.91	AttenGpKa training set	1	0	CSc1nccc(N)[nH+]1,CSc1nccc([NH3+])n1,CSc1nc(N)cc[nH+]1	CSc1nccc(N)n1	mol7106	CSc1nccc(N)n1