pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.6	OCHEM	1	0	Cc1cnc(NCC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c([NH3+])noc2c1,Cc1cnc(NCC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)[nH+]oc2c1,Cc1cnc(NCC2(c3cccc[nH+]3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1,Cc1c[nH+]c(NCC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1,Cc1cnc([NH2+]CC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1	Cc1cnc(NCC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1	mol18772	Cc1cnc(NCC2(c3ccccn3)CC2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1