pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.16	AttenGpKa training set	0	-1	O=S1(=O)OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21	O=S1(=O)OC(c2ccc([O-])c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21	mol12259	O=S1(=O)OC(c2ccc(O)c(Br)c2)(c2ccc(O)c(Br)c2)c2ccccc21