pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Baltruschat ChEMBL	0	-1	CN1C=CC([C@H]2SC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	CN1C=CC([C@H]2SC(C(Cl)(Cl)Cl)=CN2c2ccc(S([NH-])(=O)=O)cc2)C=C1	mol17024	CN1C=CC(C2SC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1