pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.21	Datawarrior	0	-1	C[C@H](O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1	C[C@H](O)[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1	mol15453	CC(O)C(C(=O)O)c1ccc(C2CCCCC2)cc1
4.21000003814697	QSARToolbox	0	-1	C[C@H](O)[C@H](C(=O)O)c1ccc(C2CCCCC2)cc1	C[C@H](O)[C@H](C(=O)[O-])c1ccc(C2CCCCC2)cc1	mol15453	CC(O)C(C(=O)O)c1ccc(C2CCCCC2)cc1