pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.8	Baltruschat ChEMBL	0	-1	Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1	[O-]c1cc(O)nc2c(-c3ccc(Br)cc3)cnn12,[O-]c1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1	mol21693	Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1