pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	IUPAC digitized pKa	1	0	Cc1nc2c(cnn2C)c(N)[nH+]1,Cc1nc(N)c2c[nH+]n(C)c2n1,Cc1nc(N)c2cnn(C)c2[nH+]1,Cc1nc([NH3+])c2cnn(C)c2n1	Cc1nc(N)c2cnn(C)c2n1	mol4923	Cc1nc(N)c2cnn(C)c2n1
5.0	Datawarrior	1	0	Cc1nc2c(cnn2C)c(N)[nH+]1,Cc1nc(N)c2c[nH+]n(C)c2n1,Cc1nc(N)c2cnn(C)c2[nH+]1,Cc1nc([NH3+])c2cnn(C)c2n1	Cc1nc(N)c2cnn(C)c2n1	mol4923	Cc1nc(N)c2cnn(C)c2n1