pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.21	Baltruschat ChEMBL	1	0	Brc1c(NC2CC2)nc(C2CC2)[nH+]c1N1CCCCCC1,Brc1c([NH2+]C2CC2)nc(C2CC2)nc1N1CCCCCC1,Brc1c(N2CCCCCC2)nc(C2CC2)[nH+]c1NC1CC1,Brc1c(NC2CC2)nc(C2CC2)nc1[NH+]1CCCCCC1	Brc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1	mol19537	Brc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1