pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.48	AttenGpKa training set	1	0	NC(=[NH2+])NNS(=O)(=O)c1ccc(N)cc1	N=C(N)NNS(=O)(=O)c1ccc(N)cc1	mol28412	N=C(N)NNS(=O)(=O)c1ccc(N)cc1
1.3	AttenGpKa training set	2	1	N=C(N)N[NH2+]S(=O)(=O)c1ccc([NH3+])cc1,NC(=[NH2+])NNS(=O)(=O)c1ccc([NH3+])cc1	NC(=[NH2+])NNS(=O)(=O)c1ccc(N)cc1	mol28412	N=C(N)NNS(=O)(=O)c1ccc(N)cc1