pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.5	OCHEM	1	0	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH+]c(N)sc2c1,Cc1c[nH+]c(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)sc2c1,Cc1cnc([NH2+]CCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)sc2c1,Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc([NH3+])sc2c1	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)sc2c1	mol18773	Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2nc(N)sc2c1