pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	0	-1	CCC(=O)Nc1nc(O)c2[nH]c(CC)nc2n1	CCC(=O)Nc1nc([O-])c2[nH]c(CC)nc2n1,CCC(=O)Nc1nc(O)c2[n-]c(CC)nc2n1	mol8301	CCC(=O)Nc1nc(O)c2[nH]c(CC)nc2n1
3.4	IUPAC digitized pKa	1	0	CCC(=O)Nc1nc2nc(CC)[nH]c2c(O)[nH+]1,CCC(=O)Nc1nc(O)c2[nH]c(CC)nc2[nH+]1,CCC(=O)Nc1nc(O)c2[nH]c(CC)[nH+]c2n1	CCC(=O)Nc1nc(O)c2[nH]c(CC)nc2n1	mol8301	CCC(=O)Nc1nc(O)c2[nH]c(CC)nc2n1