pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.03	IUPAC digitized pKa	1	0	C[NH+](N)c1ccc([SH](=O)=O)cc1,CN([NH3+])c1ccc([SH](=O)=O)cc1	CN(N)c1ccc([SH](=O)=O)cc1	mol8869	CN(N)c1ccc([SH](=O)=O)cc1
2.29999995231628	QSARToolbox	1	0	C[NH+](N)c1ccc([SH](=O)=O)cc1,CN([NH3+])c1ccc([SH](=O)=O)cc1	CN(N)c1ccc([SH](=O)=O)cc1	mol8869	CN(N)c1ccc([SH](=O)=O)cc1