pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.14	IUPAC digitized pKa	0	-1	O=P([O-])(O)OCc1cc[nH+]cc1	O=P([O-])(O)OCc1ccncc1,O=P([O-])([O-])OCc1cc[nH+]cc1	mol9912	O=P(O)(O)OCc1ccncc1
4.73	IUPAC digitized pKa	0	-1	O=P([O-])(O)OCc1cc[nH+]cc1	O=P([O-])(O)OCc1ccncc1,O=P([O-])([O-])OCc1cc[nH+]cc1	mol9912	O=P(O)(O)OCc1ccncc1
6.25	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OCc1ccncc1,O=P([O-])([O-])OCc1cc[nH+]cc1	O=P([O-])([O-])OCc1ccncc1	mol9912	O=P(O)(O)OCc1ccncc1
6.42	IUPAC digitized pKa	-1	-2	O=P([O-])(O)OCc1ccncc1,O=P([O-])([O-])OCc1cc[nH+]cc1	O=P([O-])([O-])OCc1ccncc1	mol9912	O=P(O)(O)OCc1ccncc1