pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	IUPAC digitized pKa	0	-1	CNc1cccc(C(=O)O)c1,C[NH2+]c1cccc(C(=O)[O-])c1	CNc1cccc(C(=O)[O-])c1	mol5260	CNc1cccc(C(=O)O)c1
5.09999990463257	QSARToolbox	0	-1	CNc1cccc(C(=O)O)c1,C[NH2+]c1cccc(C(=O)[O-])c1	CNc1cccc(C(=O)[O-])c1	mol5260	CNc1cccc(C(=O)O)c1
3.08	IUPAC digitized pKa	1	0	C[NH2+]c1cccc(C(=O)O)c1	CNc1cccc(C(=O)O)c1,C[NH2+]c1cccc(C(=O)[O-])c1	mol5260	CNc1cccc(C(=O)O)c1
3.54999995231628	QSARToolbox	1	0	C[NH2+]c1cccc(C(=O)O)c1	CNc1cccc(C(=O)O)c1,C[NH2+]c1cccc(C(=O)[O-])c1	mol5260	CNc1cccc(C(=O)O)c1