pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.9	Baltruschat ChEMBL	1	0	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)[nH+]c1,Cc1c[nH+]c(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1,Cc1cnc([NH2+]CCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1,Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc([NH3+])nc1	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1	mol20297	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1cnc(N)nc1