pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.64	AttenGpKa training set	2	1	COc1cc([C@H]2[NH2+]NC(=[SH+])N2c2ccccc2)cc(OC)c1OC	COc1cc([C@H]2[NH2+]NC(=S)N2c2ccccc2)cc(OC)c1OC	mol25658	COc1cc(C2NNC(=S)N2c2ccccc2)cc(OC)c1OC