pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.91	IUPAC digitized pKa	1	0	CCO[C@H]1CN(C)c2c([N+](=O)[O-])c(=O)n(C)c(=[NH2+])n21,CCO[C@H]1C[NH+](C)c2c([N+](=O)[O-])c(=O)n(C)c(=N)n21	CCO[C@H]1CN(C)c2c([N+](=O)[O-])c(=O)n(C)c(=N)n21	mol7998	CCOC1CN(C)c2c([N+](=O)[O-])c(=O)n(C)c(=N)n21