pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	AttenGpKa training set	0	-1	O=C([O-])[C@@H]1CS[C@@H](c2ccccc2Cl)[NH2+]1	O=C([O-])[C@@H]1CS[C@@H](c2ccccc2Cl)N1	mol29380	O=C(O)C1CSC(c2ccccc2Cl)N1