pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.3	Baltruschat ChEMBL	1	0	N#Cc1ccc(Nc2nc([NH3+])nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1,N#Cc1ccc([NH2+]c2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1,N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)[nH+]2)cc1,N#Cc1ccc(Nc2nc(Cc3c(Cl)ccc4[nH]ccc34)nc(N)[nH+]2)cc1,N#Cc1ccc(Nc2nc(N)[nH+]c(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1	N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1	mol21227	N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)ccc4[nH]ccc34)n2)cc1