pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.22000026702881	QSARToolbox	1	0	NC(=[NH2+])NC(=O)c1nc(SC(F)(F)F)c(N)nc1N,N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1[NH3+],N=C(N)NC(=O)c1nc(SC(F)(F)F)c([NH3+])nc1N	N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1N	mol29790	N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1N
8.22	AttenGpKa training set	1	0	NC(=[NH2+])NC(=O)c1nc(SC(F)(F)F)c(N)nc1N,N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1[NH3+],N=C(N)NC(=O)c1nc(SC(F)(F)F)c([NH3+])nc1N	N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1N	mol29790	N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1N