pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91000008583069	QSARToolbox	0	-1	O=C1CN([C@H](Cc2ccccc2)C(=O)O)C(=O)N1	O=C1CN([C@H](Cc2ccccc2)C(=O)[O-])C(=O)N1	mol27568	O=C1CN(C(Cc2ccccc2)C(=O)O)C(=O)N1
2.91	AttenGpKa training set	0	-1	O=C1CN([C@H](Cc2ccccc2)C(=O)O)C(=O)N1	O=C1CN([C@H](Cc2ccccc2)C(=O)[O-])C(=O)N1	mol27568	O=C1CN(C(Cc2ccccc2)C(=O)O)C(=O)N1
9.21	AttenGpKa training set	-1	-2	O=C1CN([C@H](Cc2ccccc2)C(=O)[O-])C(=O)N1	O=C1CN([C@H](Cc2ccccc2)C(=O)[O-])C(=O)[N-]1	mol27568	O=C1CN(C(Cc2ccccc2)C(=O)O)C(=O)N1