pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.72	IUPAC digitized pKa	0	-1	Nc1nc(C(=O)[O-])c2c([nH+]1)CCCC2,[NH3+]c1nc2c(c(C(=O)[O-])n1)CCCC2,Nc1nc2c(c(C(=O)[O-])[nH+]1)CCCC2	Nc1nc2c(c(C(=O)[O-])n1)CCCC2	mol11046	Nc1nc2c(c(C(=O)O)n1)CCCC2
0.61	IUPAC digitized pKa	1	0	[NH3+]c1nc2c(c(C(=O)O)n1)CCCC2,Nc1nc(C(=O)O)c2c([nH+]1)CCCC2,Nc1nc2c(c(C(=O)O)[nH+]1)CCCC2	Nc1nc(C(=O)[O-])c2c([nH+]1)CCCC2,[NH3+]c1nc2c(c(C(=O)[O-])n1)CCCC2,Nc1nc2c(c(C(=O)[O-])[nH+]1)CCCC2	mol11046	Nc1nc2c(c(C(=O)O)n1)CCCC2