pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.95	OCHEM	0	-1	CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O,CN1/C(=C(\[O-])Nc2cccc[nH+]2)C(=O)c2sccc2S1(=O)=O	CN1/C(=C(\[O-])Nc2ccccn2)C(=O)c2sccc2S1(=O)=O	mol31908	CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O