pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	2	1	C[C@@H]([NH2+]/C(=C\[N+](=O)[O-])[NH2+]c1ccncc1)C(C)(C)C	C[C@@H](N/C(=C\[N+](=O)[O-])[NH2+]c1ccncc1)C(C)(C)C,C[C@@H](N/C(=C\[N+](=O)[O-])Nc1cc[nH+]cc1)C(C)(C)C,C[C@@H]([NH2+]/C(=C\[N+](=O)[O-])Nc1ccncc1)C(C)(C)C	mol34814	CC(N/C(=C\[N+](=O)[O-])Nc1ccncc1)C(C)(C)C