pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.17	IUPAC digitized pKa	0	-1	O=P([O-])(O)Oc1cccc2ccc[nH+]c12	O=P([O-])([O-])Oc1cccc2ccc[nH+]c12,O=P([O-])(O)Oc1cccc2cccnc12	mol11115	O=P(O)(O)Oc1cccc2cccnc12
4.16	IUPAC digitized pKa	0	-1	O=P([O-])(O)Oc1cccc2ccc[nH+]c12	O=P([O-])([O-])Oc1cccc2ccc[nH+]c12,O=P([O-])(O)Oc1cccc2cccnc12	mol11115	O=P(O)(O)Oc1cccc2cccnc12
6.42	IUPAC digitized pKa	-1	-2	O=P([O-])([O-])Oc1cccc2ccc[nH+]c12,O=P([O-])(O)Oc1cccc2cccnc12	O=P([O-])([O-])Oc1cccc2cccnc12	mol11115	O=P(O)(O)Oc1cccc2cccnc12
6.29	IUPAC digitized pKa	-1	-2	O=P([O-])([O-])Oc1cccc2ccc[nH+]c12,O=P([O-])(O)Oc1cccc2cccnc12	O=P([O-])([O-])Oc1cccc2cccnc12	mol11115	O=P(O)(O)Oc1cccc2cccnc12