pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	Baltruschat ChEMBL	0	-1	COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)[C@H]3c3ccc4c(c3)OCO4)nc2)cc1OC	COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4[O-])[C@H]3c3ccc4c(c3)OCO4)nc2)cc1OC	mol16699	COc1ccc(-c2cnc(N3Cc4c(nc5ccccc5c4O)[C@H]3c3ccc4c(c3)OCO4)nc2)cc1OC