pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	IUPAC digitized pKa	0	-1	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	CNC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9435	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]
4.41	IUPAC digitized pKa	0	-1	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	CNC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9435	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]
4.33	IUPAC digitized pKa	0	-1	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	CNC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9435	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]
4.23	IUPAC digitized pKa	0	-1	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	CNC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9435	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]
4.15	IUPAC digitized pKa	0	-1	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]	CNC(=O)CC[C-]([N+](=O)[O-])[N+](=O)[O-]	mol9435	CNC(=O)CCC([N+](=O)[O-])[N+](=O)[O-]