pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.57	IUPAC digitized pKa	1	0	CCc1nnc(CC)n1[NH2+]CC(C)([N+](=O)[O-])[N+](=O)[O-],CCc1n[nH+]c(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]	CCc1nnc(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]	mol7670	CCc1nnc(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]
3.3	IUPAC digitized pKa	1	0	CCc1nnc(CC)n1[NH2+]CC(C)([N+](=O)[O-])[N+](=O)[O-],CCc1n[nH+]c(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]	CCc1nnc(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]	mol7670	CCc1nnc(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]