pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.44	Datawarrior	0	-1	O=C(O)CCc1ccoc1	O=C([O-])CCc1ccoc1	mol12934	O=C(O)CCc1ccoc1
4.4400001	OCHEM	0	-1	O=C(O)CCc1ccoc1	O=C([O-])CCc1ccoc1	mol12934	O=C(O)CCc1ccoc1
4.44000005722046	QSARToolbox	0	-1	O=C(O)CCc1ccoc1	O=C([O-])CCc1ccoc1	mol12934	O=C(O)CCc1ccoc1