pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.8	Datawarrior	1	0	CC(=O)n1c[nH+]c2ccccc21	CC(=O)n1cnc2ccccc21	mol12784	CC(=O)n1cnc2ccccc21
1.79999995231628	QSARToolbox	1	0	CC(=O)n1c[nH+]c2ccccc21	CC(=O)n1cnc2ccccc21	mol12784	CC(=O)n1cnc2ccccc21