pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	OCHEM	0	-1	COc1ccc2nc(NC(=O)CN3CCCCC3)sc2c1	COc1ccc2nc([N-]C(=O)CN3CCCCC3)sc2c1	mol426	COc1ccc2nc(NC(=O)CN3CCCCC3)sc2c1
7.2	OCHEM	1	0	COc1ccc2nc(NC(=O)C[NH+]3CCCCC3)sc2c1	COc1ccc2nc(NC(=O)CN3CCCCC3)sc2c1	mol426	COc1ccc2nc(NC(=O)CN3CCCCC3)sc2c1