pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72	Datawarrior	1	0	COc1ccc([NH2+]CO)cc1	COc1ccc(NCO)cc1	mol14206	COc1ccc(NCO)cc1
3.72000002861023	QSARToolbox	1	0	COc1ccc([NH2+]CO)cc1	COc1ccc(NCO)cc1	mol14206	COc1ccc(NCO)cc1