pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-5.17	AttenGpKa training set	2	1	Oc1cccc([C@H]2[NH2+]NC(=[SH+])N2c2ccccc2)c1	Oc1cccc([C@H]2[NH2+]NC(=S)N2c2ccccc2)c1	mol25592	Oc1cccc(C2NNC(=S)N2c2ccccc2)c1