pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.40000009536743	QSARToolbox	-1	-2	O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)O)cc2)C([O-])=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)[O-])cc1,O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)[O-])cc2)C(O)=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)[O-])cc1,O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)[O-])cc2)C([O-])=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)O)cc1	O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)[O-])cc2)C([O-])=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)[O-])cc1	mol36382	O=C1C(=Cc2sc3ccccc3[n+]2Cc2ccc(C(=O)O)cc2)C([O-])=C1C=C1Sc2ccccc2N1Cc1ccc(C(=O)O)cc1