pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.65	IUPAC digitized pKa	1	0	Cn1nnc(N)c1C[NH3+]	Cn1nnc(N)c1CN	mol7639	Cn1nnc(N)c1CN
7.54	AttenGpKa training set	1	0	Cn1nnc(N)c1C[NH3+]	Cn1nnc(N)c1CN	mol7639	Cn1nnc(N)c1CN
0.99	AttenGpKa training set	2	1	Cn1nnc([NH3+])c1C[NH3+]	Cn1nnc(N)c1C[NH3+]	mol7639	Cn1nnc(N)c1CN
0.7	AttenGpKa training set	2	1	Cn1nnc([NH3+])c1C[NH3+]	Cn1nnc(N)c1C[NH3+]	mol7639	Cn1nnc(N)c1CN