pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.65	Datawarrior	1	0	Brc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol14844	Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1
0.64999998	OCHEM	1	0	Brc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol14844	Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1
0.649999976158142	QSARToolbox	1	0	Brc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol14844	Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1