pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	AttenGpKa training set	0	-1	O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H]1CS	O=C1N[C@@H](Cc2c[nH]cn2)C(=O)[N-][C@H]1CS,O=C1N[C@@H](Cc2c[nH]cn2)C(=O)N[C@H]1C[S-]	mol29457	O=C1NC(Cc2c[nH]cn2)C(=O)NC1CS