pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.2	Baltruschat ChEMBL	1	0	Nc1nc2nc(N)c(-c3ccccc3)nc2c(N)[nH+]1,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2[nH+]1,Nc1nc([NH3+])c2nc(-c3ccccc3)c(N)nc2n1,Nc1nc(N)c2[nH+]c(-c3ccccc3)c(N)nc2n1,Nc1nc(N)c2nc(-c3ccccc3)c([NH3+])nc2n1,Nc1nc(N)c2nc(-c3ccccc3)c(N)[nH+]c2n1,Nc1nc2nc([NH3+])nc(N)c2nc1-c1ccccc1	Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1	mol17481	Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1