pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.7	IUPAC digitized pKa	1	0	COc1cccc2ccc(C)[nH+]c12	COc1cccc2ccc(C)nc12	mol4446	COc1cccc2ccc(C)nc12
5.69	Datawarrior	1	0	COc1cccc2ccc(C)[nH+]c12	COc1cccc2ccc(C)nc12	mol4446	COc1cccc2ccc(C)nc12
5.6900001	OCHEM	1	0	COc1cccc2ccc(C)[nH+]c12	COc1cccc2ccc(C)nc12	mol4446	COc1cccc2ccc(C)nc12
8.30000019073486	QSARToolbox	1	0	COc1cccc2ccc(C)[nH+]c12	COc1cccc2ccc(C)nc12	mol4446	COc1cccc2ccc(C)nc12