pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.61	Datawarrior	0	-1	NC(=O)CC(=O)c1cccnc1	[NH-]C(=O)CC(=O)c1cccnc1,NC(=O)[CH-]C(=O)c1cccnc1	mol12589	NC(=O)CC(=O)c1cccnc1
8.6099997	OCHEM	0	-1	NC(=O)CC(=O)c1cccnc1	[NH-]C(=O)CC(=O)c1cccnc1,NC(=O)[CH-]C(=O)c1cccnc1	mol12589	NC(=O)CC(=O)c1cccnc1
8.60999965667725	QSARToolbox	0	-1	NC(=O)CC(=O)c1cccnc1	[NH-]C(=O)CC(=O)c1cccnc1,NC(=O)[CH-]C(=O)c1cccnc1	mol12589	NC(=O)CC(=O)c1cccnc1