pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.388	IUPAC digitized pKa	1	0	CC[C@H]([NH3+])CN,CC[C@H](N)C[NH3+]	CC[C@H](N)CN	mol5902	CCC(N)CN
9.38799953460693	QSARToolbox	1	0	CC[C@H]([NH3+])CN,CC[C@H](N)C[NH3+]	CC[C@H](N)CN	mol5902	CCC(N)CN
9.38	AttenGpKa training set	1	0	CC[C@H]([NH3+])CN,CC[C@H](N)C[NH3+]	CC[C@H](N)CN	mol5902	CCC(N)CN
6.399	IUPAC digitized pKa	2	1	CC[C@H]([NH3+])C[NH3+]	CC[C@H]([NH3+])CN,CC[C@H](N)C[NH3+]	mol5902	CCC(N)CN
6.39900016784668	QSARToolbox	2	1	CC[C@H]([NH3+])C[NH3+]	CC[C@H]([NH3+])CN,CC[C@H](N)C[NH3+]	mol5902	CCC(N)CN
6.39	AttenGpKa training set	2	1	CC[C@H]([NH3+])C[NH3+]	CC[C@H]([NH3+])CN,CC[C@H](N)C[NH3+]	mol5902	CCC(N)CN