pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.1	Baltruschat ChEMBL	1	0	Cc1c(N2CC(Br)C2)nc(C2CC2)[nH+]c1N1CCCCCC1,Cc1c(N2CCCCCC2)nc(C2CC2)[nH+]c1N1CC(Br)C1,Cc1c(N2CCCCCC2)nc(C2CC2)nc1[NH+]1CC(Br)C1,Cc1c(N2CC(Br)C2)nc(C2CC2)nc1[NH+]1CCCCCC1	Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(Br)C1	mol17709	Cc1c(N2CCCCCC2)nc(C2CC2)nc1N1CC(Br)C1