pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.41	IUPAC digitized pKa	1	0	Cc1ccc(C[NH2+]CCN)cc1,Cc1ccc(CNCC[NH3+])cc1	Cc1ccc(CNCCN)cc1	mol3107	Cc1ccc(CNCCN)cc1
9.4099998	OCHEM	1	0	Cc1ccc(C[NH2+]CCN)cc1,Cc1ccc(CNCC[NH3+])cc1	Cc1ccc(CNCCN)cc1	mol3107	Cc1ccc(CNCCN)cc1
9.40999984741211	QSARToolbox	1	0	Cc1ccc(C[NH2+]CCN)cc1,Cc1ccc(CNCC[NH3+])cc1	Cc1ccc(CNCCN)cc1	mol3107	Cc1ccc(CNCCN)cc1
6.51	IUPAC digitized pKa	2	1	Cc1ccc(C[NH2+]CC[NH3+])cc1	Cc1ccc(C[NH2+]CCN)cc1,Cc1ccc(CNCC[NH3+])cc1	mol3107	Cc1ccc(CNCCN)cc1
6.51000022888184	QSARToolbox	2	1	Cc1ccc(C[NH2+]CC[NH3+])cc1	Cc1ccc(C[NH2+]CCN)cc1,Cc1ccc(CNCC[NH3+])cc1	mol3107	Cc1ccc(CNCCN)cc1