pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.60000038146973	QSARToolbox	0	-1	COC(=O)c1nc2cc(Cl)ccc2[nH]1	COC(=O)c1nc2cc(Cl)ccc2[n-]1	mol13391	COC(=O)c1nc2cc(Cl)ccc2[nH]1
0.3	Datawarrior	1	0	COC(=O)c1[nH]c2ccc(Cl)cc2[nH+]1	COC(=O)c1nc2cc(Cl)ccc2[nH]1	mol13391	COC(=O)c1nc2cc(Cl)ccc2[nH]1
0.30000001	OCHEM	1	0	COC(=O)c1[nH]c2ccc(Cl)cc2[nH+]1	COC(=O)c1nc2cc(Cl)ccc2[nH]1	mol13391	COC(=O)c1nc2cc(Cl)ccc2[nH]1
0.300000011920929	QSARToolbox	1	0	COC(=O)c1[nH]c2ccc(Cl)cc2[nH+]1	COC(=O)c1nc2cc(Cl)ccc2[nH]1	mol13391	COC(=O)c1nc2cc(Cl)ccc2[nH]1