pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.85	Datawarrior	0	-1	C[C@H]([Se-])C[NH3+]	C[C@H]([Se-])CN	mol15924	CC([SeH])CN
5.19	Datawarrior	1	0	C[C@H]([SeH])C[NH3+]	C[C@H]([Se-])C[NH3+]	mol15924	CC([SeH])CN
5.19000005722046	QSARToolbox	1	0	C[C@H]([SeH])C[NH3+]	C[C@H]([Se-])C[NH3+]	mol15924	CC([SeH])CN