pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.69999980926514	QSARToolbox	-1	-2	O=C([O-])CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC(=O)O)C2=O)Sc2ccccc21,O=C([O-])C[n+]1c(C=C2C(=O)C(C=C3Sc4ccccc4N3CC(=O)O)=C2[O-])sc2ccccc21,O=C([O-])CN1C(=CC2=C(O)C(=Cc3sc4ccccc4[n+]3CC(=O)[O-])C2=O)Sc2ccccc21	O=C([O-])CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC(=O)[O-])C2=O)Sc2ccccc21	mol36165	O=C(O)CN1C(=CC2=C([O-])C(=Cc3sc4ccccc4[n+]3CC(=O)O)C2=O)Sc2ccccc21