pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.23	Datawarrior	0	-1	NC(=O)CC(=O)c1ccccn1	[NH-]C(=O)CC(=O)c1ccccn1,NC(=O)[CH-]C(=O)c1ccccn1	mol12593	NC(=O)CC(=O)c1ccccn1
8.2299995	OCHEM	0	-1	NC(=O)CC(=O)c1ccccn1	[NH-]C(=O)CC(=O)c1ccccn1,NC(=O)[CH-]C(=O)c1ccccn1	mol12593	NC(=O)CC(=O)c1ccccn1
8.22999954223633	QSARToolbox	0	-1	NC(=O)CC(=O)c1ccccn1	[NH-]C(=O)CC(=O)c1ccccn1,NC(=O)[CH-]C(=O)c1ccccn1	mol12593	NC(=O)CC(=O)c1ccccn1