pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.2	Datawarrior	0	-1	CSc1nc(N)c2[nH]cnc2n1	CSc1nc(N)c2[n-]cnc2n1	mol12844	CSc1nc(N)c2[nH]cnc2n1
3.1	Datawarrior	1	0	CSc1nc2nc[nH]c2c(N)[nH+]1,CSc1nc([NH3+])c2[nH]cnc2n1,CSc1nc(N)c2[nH]c[nH+]c2n1,CSc1nc(N)c2[nH]cnc2[nH+]1	CSc1nc(N)c2[nH]cnc2n1	mol12844	CSc1nc(N)c2[nH]cnc2n1
3.0999999	OCHEM	1	0	CSc1nc2nc[nH]c2c(N)[nH+]1,CSc1nc([NH3+])c2[nH]cnc2n1,CSc1nc(N)c2[nH]c[nH+]c2n1,CSc1nc(N)c2[nH]cnc2[nH+]1	CSc1nc(N)c2[nH]cnc2n1	mol12844	CSc1nc(N)c2[nH]cnc2n1