pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.76	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
10.0	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.97	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.83	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.82	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.72	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.91	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
10.298	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.817	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.436	IUPAC digitized pKa	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.8299999	OCHEM	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.985001	OCHEM	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
9.86	AttenGpKa training set	1	0	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	C[C@@H](N)CN	mol3183	CC(N)CN
7.81	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.13	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.1	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.07	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.05	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
6.61	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
6.607	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.06	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.051	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
6.235	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
9.084	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
5.9	IUPAC digitized pKa	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
7.14	Datawarrior	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN
6.87	AttenGpKa training set	2	1	C[C@@H]([NH3+])C[NH3+]	C[C@@H](N)C[NH3+],C[C@@H]([NH3+])CN	mol3183	CC(N)CN