pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.93	IUPAC digitized pKa	0	-1	O=C(O)CNc1cccc(Cl)c1,O=C([O-])C[NH2+]c1cccc(Cl)c1	O=C([O-])CNc1cccc(Cl)c1	mol5447	O=C(O)CNc1cccc(Cl)c1
1.05	IUPAC digitized pKa	1	0	O=C(O)C[NH2+]c1cccc(Cl)c1	O=C(O)CNc1cccc(Cl)c1,O=C([O-])C[NH2+]c1cccc(Cl)c1	mol5447	O=C(O)CNc1cccc(Cl)c1