pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23000001907349	QSARToolbox	0	-1	C(CCc1nnn[nH]1)CCc1nnn[nH]1	C(CCc1nnn[n-]1)CCc1nnn[nH]1	mol25974	C(CCc1nnn[nH]1)CCc1nnn[nH]1
5.23	AttenGpKa training set	0	-1	C(CCc1nnn[nH]1)CCc1nnn[nH]1	C(CCc1nnn[n-]1)CCc1nnn[nH]1	mol25974	C(CCc1nnn[nH]1)CCc1nnn[nH]1
6.1	AttenGpKa training set	-1	-2	C(CCc1nnn[n-]1)CCc1nnn[nH]1	C(CCc1nnn[n-]1)CCc1nnn[n-]1	mol25974	C(CCc1nnn[nH]1)CCc1nnn[nH]1