pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.18	Baltruschat ChEMBL	0	-1	CN1C=CN([C@@H]2OC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1	CN1C=CN([C@@H]2OC(C(F)(F)F)=CN2c2ccc(S([NH-])(=O)=O)cc2)C=C1	mol17017	CN1C=CN(C2OC(C(F)(F)F)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1