pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.61000001430511	QSARToolbox	2	1	[NH3+]c1nc(-c2ccc[nH+]c2)cs1,[NH3+]c1[nH+]c(-c2cccnc2)cs1,Nc1[nH+]c(-c2ccc[nH+]c2)cs1	Nc1nc(-c2ccc[nH+]c2)cs1,Nc1[nH+]c(-c2cccnc2)cs1,[NH3+]c1nc(-c2cccnc2)cs1	mol33976	Nc1nc(-c2cccnc2)cs1