pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.87	Datawarrior	1	0	NC1=CC(=[NH2+])c2ccccc2C1=O,N=C1C=C([NH3+])C(=O)c2ccccc21	N=C1C=C(N)C(=O)c2ccccc21	mol13770	N=C1C=C(N)C(=O)c2ccccc21
8.8699999	OCHEM	1	0	NC1=CC(=[NH2+])c2ccccc2C1=O,N=C1C=C([NH3+])C(=O)c2ccccc21	N=C1C=C(N)C(=O)c2ccccc21	mol13770	N=C1C=C(N)C(=O)c2ccccc21
8.86999988555908	QSARToolbox	1	0	NC1=CC(=[NH2+])c2ccccc2C1=O,N=C1C=C([NH3+])C(=O)c2ccccc21	N=C1C=C(N)C(=O)c2ccccc21	mol13770	N=C1C=C(N)C(=O)c2ccccc21