pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.40000009536743	QSARToolbox	0	-1	O=C([O-])c1ccc([C@H]2CC(c3ccccc3)=[NH+]N2c2ccccc2)cc1,O=C(O)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1	O=C([O-])c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1	mol36709	O=C(O)c1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)cc1