pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.0	QSARToolbox	1	0	Cc1cc(Br)c(O)c2[n+]1[C@H](C(=O)O)CS2	Cc1cc(Br)c(O)c2[n+]1[C@H](C(=O)[O-])CS2	mol35330	Cc1cc(Br)c(O)c2[n+]1C(C(=O)O)CS2