pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.27	Datawarrior	1	0	CCOc1ccc2[nH]c(CC)[nH+]c2c1	CCOc1ccc2[nH]c(CC)nc2c1	mol13396	CCOc1ccc2[nH]c(CC)nc2c1