pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.52	IUPAC digitized pKa	0	-1	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	COc1cc(CN)ccc1[O-]	mol1915	COc1cc(CN)ccc1O
10.46	IUPAC digitized pKa	0	-1	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	COc1cc(CN)ccc1[O-]	mol1915	COc1cc(CN)ccc1O
10.47	Datawarrior	0	-1	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	COc1cc(CN)ccc1[O-]	mol1915	COc1cc(CN)ccc1O
10.4	OCHEM	0	-1	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	COc1cc(CN)ccc1[O-]	mol1915	COc1cc(CN)ccc1O
10.5	OCHEM	0	-1	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	COc1cc(CN)ccc1[O-]	mol1915	COc1cc(CN)ccc1O
8.94	IUPAC digitized pKa	1	0	COc1cc(C[NH3+])ccc1O	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	mol1915	COc1cc(CN)ccc1O
8.9399996	OCHEM	1	0	COc1cc(C[NH3+])ccc1O	COc1cc(CN)ccc1O,COc1cc(C[NH3+])ccc1[O-]	mol1915	COc1cc(CN)ccc1O