pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.91	Datawarrior	1	0	COc1cc2c(O)cc(C)[nH+]c2c2c(C)c(C)oc12	COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12	mol15555	COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12
2.9100001	OCHEM	1	0	COc1cc2c(O)cc(C)[nH+]c2c2c(C)c(C)oc12	COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12	mol15555	COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12
2.91000008583069	QSARToolbox	1	0	COc1cc2c(O)cc(C)[nH+]c2c2c(C)c(C)oc12	COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12	mol15555	COc1cc2c(O)cc(C)nc2c2c(C)c(C)oc12