pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.54	IUPAC digitized pKa	1	0	CCN(CC)c1nc(OC)nc(NC(C)C)[nH+]1,CCN(CC)c1nc(NC(C)C)nc(OC)[nH+]1,CC[NH+](CC)c1nc(NC(C)C)nc(OC)n1,CCN(CC)c1nc(NC(C)C)[nH+]c(OC)n1,CCN(CC)c1nc([NH2+]C(C)C)nc(OC)n1	CCN(CC)c1nc(NC(C)C)nc(OC)n1	mol7631	CCN(CC)c1nc(NC(C)C)nc(OC)n1