pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
14.56	Datawarrior	0	-1	COc1ccc2[nH]c3c(C)nccc3c2c1	COc1ccc2[n-]c3c(C)nccc3c2c1	mol14502	COc1ccc2[nH]c3c(C)nccc3c2c1
7.09	Datawarrior	1	0	COc1ccc2[nH]c3c(C)[nH+]ccc3c2c1	COc1ccc2[nH]c3c(C)nccc3c2c1	mol14502	COc1ccc2[nH]c3c(C)nccc3c2c1
7.0900002	OCHEM	1	0	COc1ccc2[nH]c3c(C)[nH+]ccc3c2c1	COc1ccc2[nH]c3c(C)nccc3c2c1	mol14502	COc1ccc2[nH]c3c(C)nccc3c2c1
7.09000015258789	QSARToolbox	1	0	COc1ccc2[nH]c3c(C)[nH+]ccc3c2c1	COc1ccc2[nH]c3c(C)nccc3c2c1	mol14502	COc1ccc2[nH]c3c(C)nccc3c2c1