pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03999996185303	QSARToolbox	1	0	NC(=[OH+])N[C@H](C(=O)O)c1ccccc1,NC(=O)N[C@H](C(O)=[OH+])c1ccccc1	NC(=O)N[C@H](C(=O)O)c1ccccc1	mol29348	NC(=O)NC(C(=O)O)c1ccccc1
3.04	AttenGpKa training set	1	0	NC(=[OH+])N[C@H](C(=O)O)c1ccccc1,NC(=O)N[C@H](C(O)=[OH+])c1ccccc1	NC(=O)N[C@H](C(=O)O)c1ccccc1	mol29348	NC(=O)NC(C(=O)O)c1ccccc1