pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.22	OCHEM	1	0	[NH3+]CCOP(=O)(Oc1ccccc1)Oc1ccccc1	NCCOP(=O)(Oc1ccccc1)Oc1ccccc1	mol31899	NCCOP(=O)(Oc1ccccc1)Oc1ccccc1
8.22000026702881	QSARToolbox	1	0	[NH3+]CCOP(=O)(Oc1ccccc1)Oc1ccccc1	NCCOP(=O)(Oc1ccccc1)Oc1ccccc1	mol31899	NCCOP(=O)(Oc1ccccc1)Oc1ccccc1