pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	IUPAC digitized pKa	1	0	Cc1nc([NH3+])nc(N)c1-c1ccccc1,Cc1nc(N)nc([NH3+])c1-c1ccccc1,Cc1nc(N)[nH+]c(N)c1-c1ccccc1,Cc1[nH+]c(N)nc(N)c1-c1ccccc1	Cc1nc(N)nc(N)c1-c1ccccc1	mol7308	Cc1nc(N)nc(N)c1-c1ccccc1
7.40000009536743	QSARToolbox	1	0	Cc1nc([NH3+])nc(N)c1-c1ccccc1,Cc1nc(N)nc([NH3+])c1-c1ccccc1,Cc1nc(N)[nH+]c(N)c1-c1ccccc1,Cc1[nH+]c(N)nc(N)c1-c1ccccc1	Cc1nc(N)nc(N)c1-c1ccccc1	mol7308	Cc1nc(N)nc(N)c1-c1ccccc1