pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.88	Datawarrior	0	-1	O=C(O)C1(O)CCC1	O=C([O-])C1(O)CCC1	mol12348	O=C(O)C1(O)CCC1
3.8800001	OCHEM	0	-1	O=C(O)C1(O)CCC1	O=C([O-])C1(O)CCC1	mol12348	O=C(O)C1(O)CCC1
3.8199999332428	QSARToolbox	0	-1	O=C(O)C1(O)CCC1	O=C([O-])C1(O)CCC1	mol12348	O=C(O)C1(O)CCC1
3.89	AttenGpKa training set	0	-1	O=C(O)C1(O)CCC1	O=C([O-])C1(O)CCC1	mol12348	O=C(O)C1(O)CCC1