pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.51000022888184	QSARToolbox	1	0	C[n+]1cccc(C(=O)CC(N)=O)c1	C[n+]1cccc(C(=O)CC([NH-])=O)c1,C[n+]1cccc(C(=O)[CH-]C(N)=O)c1	mol26878	C[n+]1cccc(C(=O)CC(N)=O)c1
6.51	AttenGpKa training set	1	0	C[n+]1cccc(C(=O)CC(N)=O)c1	C[n+]1cccc(C(=O)CC([NH-])=O)c1,C[n+]1cccc(C(=O)[CH-]C(N)=O)c1	mol26878	C[n+]1cccc(C(=O)CC(N)=O)c1