pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	Datawarrior	1	0	COc1ccc(OC)c2c1[nH+]c(CCl)n2C	COc1ccc(OC)c2c1nc(CCl)n2C	mol14543	COc1ccc(OC)c2c1nc(CCl)n2C
4.0999999	OCHEM	1	0	COc1ccc(OC)c2c1[nH+]c(CCl)n2C	COc1ccc(OC)c2c1nc(CCl)n2C	mol14543	COc1ccc(OC)c2c1nc(CCl)n2C
4.09999990463257	QSARToolbox	1	0	COc1ccc(OC)c2c1[nH+]c(CCl)n2C	COc1ccc(OC)c2c1nc(CCl)n2C	mol14543	COc1ccc(OC)c2c1nc(CCl)n2C