pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.84	Datawarrior	0	-1	[O-]c1ccccc1[C@@H]1CCNCCNCCC[NH2+]CCN1,[O-]c1ccccc1[C@@H]1CCNCC[NH2+]CCCNCCN1,[O-]c1ccccc1[C@@H]1CC[NH2+]CCNCCCNCCN1,[O-]c1ccccc1[C@@H]1CCNCCNCCCNCC[NH2+]1,Oc1ccccc1[C@@H]1CCNCCNCCCNCCN1	[O-]c1ccccc1[C@@H]1CCNCCNCCCNCCN1	mol15375	Oc1ccccc1C1CCNCCNCCCNCCN1
10.8400001525879	QSARToolbox	0	-1	[O-]c1ccccc1[C@@H]1CCNCCNCCC[NH2+]CCN1,[O-]c1ccccc1[C@@H]1CCNCC[NH2+]CCCNCCN1,[O-]c1ccccc1[C@@H]1CC[NH2+]CCNCCCNCCN1,[O-]c1ccccc1[C@@H]1CCNCCNCCCNCC[NH2+]1,Oc1ccccc1[C@@H]1CCNCCNCCCNCCN1	[O-]c1ccccc1[C@@H]1CCNCCNCCCNCCN1	mol15375	Oc1ccccc1C1CCNCCNCCCNCCN1