pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.71	IUPAC digitized pKa	1	0	NC1=[NH+]C2=C(CCCC2)[C@@H](C(=O)O)N1	NC1=[NH+]C2=C(CCCC2)[C@@H](C(=O)[O-])N1	mol11082	NC1=NC2=C(CCCC2)C(C(=O)O)N1
12.22	IUPAC digitized pKa	-1	-2	NC1=NC2=C(CCCC2)[C@@H](C(=O)[O-])N1	NC1=NC2=C(CCCC2)[C@@H](C(=O)[O-])[N-]1	mol11082	NC1=NC2=C(CCCC2)C(C(=O)O)N1