pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.82	Baltruschat ChEMBL	1	0	COc1cc([NH2+]S(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12,COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2[nH+]c2cc([N+](=O)[O-])ccc12	COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12	mol18713	COc1cc(NS(C)(=O)=O)ccc1Cc1c2ccc([N+](=O)[O-])cc2nc2cc([N+](=O)[O-])ccc12