pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.9	Baltruschat ChEMBL	1	0	Cc1nc(N)c2nnn(C[C@H]3C[NH+](Cc4nccs4)CCO3)c2n1	Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1	mol16214	Cc1nc(N)c2nnn(C[C@H]3CN(Cc4nccs4)CCO3)c2n1