pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.32	Baltruschat ChEMBL	0	-1	CN1CCN(Cc2ccc(C(=O)c3csc(S(N)(=O)=O)c3)cc2)CC1	CN1CCN(Cc2ccc(C(=O)c3csc(S([NH-])(=O)=O)c3)cc2)CC1	mol21170	CN1CCN(Cc2ccc(C(=O)c3csc(S(N)(=O)=O)c3)cc2)CC1