pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	Datawarrior	1	0	COc1c2ccccc2[nH+]c2ccccc12	COc1c2ccccc2nc2ccccc12	mol5013	COc1c2ccccc2nc2ccccc12