pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.59	Baltruschat ChEMBL	1	0	COc1cc([NH2+]S(C)(=O)=O)ccc1[NH+]=c1c2ccccc2[nH]c2ccc(C(=N)[O-])cc12	COc1cc(NS(C)(=O)=O)ccc1[NH+]=c1c2ccccc2[nH]c2ccc(C(=N)[O-])cc12	mol21311	COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccc(C(=N)O)cc12