pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.7	Datawarrior	0	-1	C[NH+]1CCC[C@H](C(=O)[O-])C1	CN1CCC[C@H](C(=O)[O-])C1	mol13051	CN1CCCC(C(=O)O)C1
9.6999998	OCHEM	0	-1	C[NH+]1CCC[C@H](C(=O)[O-])C1	CN1CCC[C@H](C(=O)[O-])C1	mol13051	CN1CCCC(C(=O)O)C1
9.69999980926514	QSARToolbox	0	-1	C[NH+]1CCC[C@H](C(=O)[O-])C1	CN1CCC[C@H](C(=O)[O-])C1	mol13051	CN1CCCC(C(=O)O)C1