pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.66	OCHEM	1	0	N#Cc1cnc(N)[nH+]c1,N#Cc1cnc([NH3+])nc1	N#Cc1cnc(N)nc1	mol7024	N#Cc1cnc(N)nc1
0.660000026226044	QSARToolbox	1	0	N#Cc1cnc(N)[nH+]c1,N#Cc1cnc([NH3+])nc1	N#Cc1cnc(N)nc1	mol7024	N#Cc1cnc(N)nc1
-1.48000001907349	QSARToolbox	1	0	N#Cc1cnc(N)[nH+]c1,N#Cc1cnc([NH3+])nc1	N#Cc1cnc(N)nc1	mol7024	N#Cc1cnc(N)nc1
-1.48	AttenGpKa training set	1	0	N#Cc1cnc(N)[nH+]c1,N#Cc1cnc([NH3+])nc1	N#Cc1cnc(N)nc1	mol7024	N#Cc1cnc(N)nc1