pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.3	IUPAC digitized pKa	1	0	CCOC(=O)CCCCC[NH3+]	CCOC(=O)CCCCCN	mol237	CCOC(=O)CCCCCN
10.37	Datawarrior	1	0	CCOC(=O)CCCCC[NH3+]	CCOC(=O)CCCCCN	mol237	CCOC(=O)CCCCCN
10.335	AttenGpKa training set	1	0	CCOC(=O)CCCCC[NH3+]	CCOC(=O)CCCCCN	mol237	CCOC(=O)CCCCCN