pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.60000038146973	QSARToolbox	0	-1	O=S(=O)([O-])C[C@@H](O)C[NH2+]C1CCCCC1	O=S(=O)([O-])C[C@@H](O)CNC1CCCCC1	mol24408	O=S(=O)(O)CC(O)CNC1CCCCC1
9.64999961853027	QSARToolbox	0	-1	O=S(=O)([O-])C[C@@H](O)C[NH2+]C1CCCCC1	O=S(=O)([O-])C[C@@H](O)CNC1CCCCC1	mol24408	O=S(=O)(O)CC(O)CNC1CCCCC1
9.6	AttenGpKa training set	0	-1	O=S(=O)([O-])C[C@@H](O)C[NH2+]C1CCCCC1	O=S(=O)([O-])C[C@@H](O)CNC1CCCCC1	mol24408	O=S(=O)(O)CC(O)CNC1CCCCC1