pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Datawarrior	1	0	NC(=O)[C@H](c1ccccc1)c1cccc[nH+]1	NC(=O)[C@H](c1ccccc1)c1ccccn1	mol14549	NC(=O)C(c1ccccc1)c1ccccn1
3.79999995231628	QSARToolbox	1	0	NC(=O)[C@H](c1ccccc1)c1cccc[nH+]1	NC(=O)[C@H](c1ccccc1)c1ccccn1	mol14549	NC(=O)C(c1ccccc1)c1ccccn1