pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	Datawarrior	0	-1	COC1=C[C@H]2CC[C@]1(C(=O)O)CC2	COC1=C[C@H]2CC[C@]1(C(=O)[O-])CC2	mol13734	COC1=CC2CCC1(C(=O)O)CC2
4.4499998	OCHEM	0	-1	COC1=C[C@H]2CC[C@]1(C(=O)O)CC2	COC1=C[C@H]2CC[C@]1(C(=O)[O-])CC2	mol13734	COC1=CC2CCC1(C(=O)O)CC2
4.44999980926514	QSARToolbox	0	-1	COC1=C[C@H]2CC[C@]1(C(=O)O)CC2	COC1=C[C@H]2CC[C@]1(C(=O)[O-])CC2	mol13734	COC1=CC2CCC1(C(=O)O)CC2