pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.74	Hunt	1	0	CCCCOc1ccc([NH3+])c([N+](=O)[O-])c1	CCCCOc1ccc(N)c([N+](=O)[O-])c1	mol1649	CCCCOc1ccc(N)c([N+](=O)[O-])c1
0.740000009536743	QSARToolbox	1	0	CCCCOc1ccc([NH3+])c([N+](=O)[O-])c1	CCCCOc1ccc(N)c([N+](=O)[O-])c1	mol1649	CCCCOc1ccc(N)c([N+](=O)[O-])c1
0.779999971389771	QSARToolbox	1	0	CCCCOc1ccc([NH3+])c([N+](=O)[O-])c1	CCCCOc1ccc(N)c([N+](=O)[O-])c1	mol1649	CCCCOc1ccc(N)c([N+](=O)[O-])c1