pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.09	Datawarrior	1	0	Cc1cn2nc(-c3ccccc3)ccc2[nH+]1,Cc1cn2[nH+]c(-c3ccccc3)ccc2n1	Cc1cn2nc(-c3ccccc3)ccc2n1	mol14520	Cc1cn2nc(-c3ccccc3)ccc2n1
5.0900002	OCHEM	1	0	Cc1cn2nc(-c3ccccc3)ccc2[nH+]1,Cc1cn2[nH+]c(-c3ccccc3)ccc2n1	Cc1cn2nc(-c3ccccc3)ccc2n1	mol14520	Cc1cn2nc(-c3ccccc3)ccc2n1
5.09999990463257	QSARToolbox	1	0	Cc1cn2nc(-c3ccccc3)ccc2[nH+]1,Cc1cn2[nH+]c(-c3ccccc3)ccc2n1	Cc1cn2nc(-c3ccccc3)ccc2n1	mol14520	Cc1cn2nc(-c3ccccc3)ccc2n1