pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.00999999046326	QSARToolbox	0	-1	O=C(O)Cn1nnc(CCn2nnc(-c3ccccc3)n2)n1	O=C([O-])Cn1nnc(CCn2nnc(-c3ccccc3)n2)n1	mol36313	O=C(O)Cn1nnc(CCn2nnc(-c3ccccc3)n2)n1