pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27999997138977	QSARToolbox	2	1	C[C@H]([NH2+]/C(=C\[N+](=O)[O-])[NH2+]c1cccnc1)C(C)(C)C	C[C@H](N/C(=C\[N+](=O)[O-])[NH2+]c1cccnc1)C(C)(C)C,C[C@H]([NH2+]/C(=C\[N+](=O)[O-])Nc1cccnc1)C(C)(C)C,C[C@H](N/C(=C\[N+](=O)[O-])Nc1ccc[nH+]c1)C(C)(C)C	mol34812	CC(N/C(=C\[N+](=O)[O-])Nc1cccnc1)C(C)(C)C