pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.7	IUPAC digitized pKa	1	0	C[NH+]1CCC(NNc2ccccc2)CC1,CN1CCC([NH2+]Nc2ccccc2)CC1,CN1CCC(N[NH2+]c2ccccc2)CC1	CN1CCC(NNc2ccccc2)CC1	mol5812	CN1CCC(NNc2ccccc2)CC1
8.6999998	OCHEM	1	0	C[NH+]1CCC(NNc2ccccc2)CC1,CN1CCC([NH2+]Nc2ccccc2)CC1,CN1CCC(N[NH2+]c2ccccc2)CC1	CN1CCC(NNc2ccccc2)CC1	mol5812	CN1CCC(NNc2ccccc2)CC1
8.69999980926514	QSARToolbox	1	0	C[NH+]1CCC(NNc2ccccc2)CC1,CN1CCC([NH2+]Nc2ccccc2)CC1,CN1CCC(N[NH2+]c2ccccc2)CC1	CN1CCC(NNc2ccccc2)CC1	mol5812	CN1CCC(NNc2ccccc2)CC1