pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.5	IUPAC digitized pKa	0	-1	N#CCC[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)[O-]	N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	mol8591	N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)O
9.95	IUPAC digitized pKa	-1	-2	N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	N#CCCN[C@@H](Cc1ccc([O-])cc1)C(=O)[O-]	mol8591	N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)O
10.0	IUPAC digitized pKa	-1	-2	N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	N#CCCN[C@@H](Cc1ccc([O-])cc1)C(=O)[O-]	mol8591	N#CCCN[C@@H](Cc1ccc(O)cc1)C(=O)O