pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53	Datawarrior	0	-1	O=[Se@](O)c1ccc(-c2ccccc2)cc1	O=[Se@]([O-])c1ccc(-c2ccccc2)cc1	mol15688	O=[Se](O)c1ccc(-c2ccccc2)cc1
4.5300002	OCHEM	0	-1	O=[Se@](O)c1ccc(-c2ccccc2)cc1	O=[Se@]([O-])c1ccc(-c2ccccc2)cc1	mol15688	O=[Se](O)c1ccc(-c2ccccc2)cc1
4.53000020980835	QSARToolbox	0	-1	O=[Se@](O)c1ccc(-c2ccccc2)cc1	O=[Se@]([O-])c1ccc(-c2ccccc2)cc1	mol15688	O=[Se](O)c1ccc(-c2ccccc2)cc1