pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.657	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.496	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.13	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.787	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.466	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.161	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
9.876	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.62	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.08	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.41	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.67	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
9.97	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.96	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.3	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.57	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.75	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
11.56	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.68	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.67	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.58	IUPAC digitized pKa	1	0	C[NH3+]	CN	mol846	CN
10.76	Datawarrior	1	0	C[NH3+]	CN	mol846	CN
10.63	OCHEM	1	0	C[NH3+]	CN	mol846	CN
10.66	OCHEM	1	0	C[NH3+]	CN	mol846	CN
10.6385	OCHEM	1	0	C[NH3+]	CN	mol846	CN
10.64	AttenGpKa training set	1	0	C[NH3+]	CN	mol846	CN