pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.80000019073486	QSARToolbox	1	0	CN(C)c1nc(N2CCCCC2)nc2c([NH+](C)C)nc(N3CCCCC3)nc12,CN(C)c1nc([NH+]2CCCCC2)nc2c(N(C)C)nc(N3CCCCC3)nc12,CN(C)c1nc(N2CCCCC2)[nH+]c2c(N(C)C)nc(N3CCCCC3)nc12,CN(C)c1nc(N2CCCCC2)nc2c(N(C)C)[nH+]c(N3CCCCC3)nc12	CN(C)c1nc(N2CCCCC2)nc2c(N(C)C)nc(N3CCCCC3)nc12	mol36421	CN(C)c1nc(N2CCCCC2)nc2c(N(C)C)nc(N3CCCCC3)nc12