pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25	QSARToolbox	2	1	C[NH+]1C(C)(C)C(c2ccccc2)=[N+](O)C1(C)C	C[NH+]1C(C)(C)C(c2ccccc2)=[N+]([O-])C1(C)C,CN1C(C)(C)C(c2ccccc2)=[N+](O)C1(C)C	mol36457	CN1C(C)(C)C(c2ccccc2)=[N+]([O-])C1(C)C