pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Datawarrior	0	-1	COc1nc(N)c2[nH]cnc2n1	COc1nc(N)c2[n-]cnc2n1	mol12848	COc1nc(N)c2[nH]cnc2n1
3.7	Datawarrior	1	0	COc1nc([NH3+])c2[nH]cnc2n1,COc1nc2nc[nH]c2c(N)[nH+]1,COc1nc(N)c2[nH]c[nH+]c2n1,COc1nc(N)c2[nH]cnc2[nH+]1	COc1nc(N)c2[nH]cnc2n1	mol12848	COc1nc(N)c2[nH]cnc2n1