pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Baltruschat ChEMBL	0	-1	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)sc12	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[n-]c(=O)sc12	mol17294	C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2[nH]c(=O)sc12