pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.44000005722046	QSARToolbox	1	0	NC(=[OH+])N[C@@H](Cc1ccccc1)C(=O)O,NC(=O)N[C@@H](Cc1ccccc1)C(O)=[OH+]	NC(=O)N[C@@H](Cc1ccccc1)C(=O)O	mol29357	NC(=O)NC(Cc1ccccc1)C(=O)O
3.44	AttenGpKa training set	1	0	NC(=[OH+])N[C@@H](Cc1ccccc1)C(=O)O,NC(=O)N[C@@H](Cc1ccccc1)C(O)=[OH+]	NC(=O)N[C@@H](Cc1ccccc1)C(=O)O	mol29357	NC(=O)NC(Cc1ccccc1)C(=O)O