pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.56	IUPAC digitized pKa	0	-1	NC[C@@H](O)c1cccc(O)c1,[NH3+]C[C@@H](O)c1cccc([O-])c1	NC[C@@H](O)c1cccc([O-])c1	mol3417	NCC(O)c1cccc(O)c1
9.63	IUPAC digitized pKa	0	-1	NC[C@@H](O)c1cccc(O)c1,[NH3+]C[C@@H](O)c1cccc([O-])c1	NC[C@@H](O)c1cccc([O-])c1	mol3417	NCC(O)c1cccc(O)c1
9.5	OCHEM	0	-1	NC[C@@H](O)c1cccc(O)c1,[NH3+]C[C@@H](O)c1cccc([O-])c1	NC[C@@H](O)c1cccc([O-])c1	mol3417	NCC(O)c1cccc(O)c1
8.67	IUPAC digitized pKa	1	0	[NH3+]C[C@@H](O)c1cccc(O)c1	NC[C@@H](O)c1cccc(O)c1,[NH3+]C[C@@H](O)c1cccc([O-])c1	mol3417	NCC(O)c1cccc(O)c1