pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.25	Baltruschat ChEMBL	1	0	Brc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)[nH+]o2)cc1,Brc1ccc(-c2[nH+]c(-c3ccc4nc[nH]c4c3)no2)cc1,Brc1ccc(-c2nc(-c3ccc4[nH+]c[nH]c4c3)no2)cc1	Brc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1	mol18033	Brc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1