pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.85	IUPAC digitized pKa	1	0	CCN(CC)c1nc(Cl)nc([NH2+]C(C)C)n1,CCN(CC)c1nc(Cl)[nH+]c(NC(C)C)n1,CCN(CC)c1nc(NC(C)C)nc(Cl)[nH+]1,CC[NH+](CC)c1nc(Cl)nc(NC(C)C)n1,CCN(CC)c1nc(Cl)nc(NC(C)C)[nH+]1	CCN(CC)c1nc(Cl)nc(NC(C)C)n1	mol7617	CCN(CC)c1nc(Cl)nc(NC(C)C)n1