pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.6	Datawarrior	0	-1	[O-]c1onc2c1CC[NH2+]CC2	[O-]c1onc2c1CCNCC2	mol13998	Oc1onc2c1CCNCC2
9.6000004	OCHEM	0	-1	[O-]c1onc2c1CC[NH2+]CC2	[O-]c1onc2c1CCNCC2	mol13998	Oc1onc2c1CCNCC2
3.3	Datawarrior	1	0	Oc1onc2c1CC[NH2+]CC2,[O-]c1o[nH+]c2c1CC[NH2+]CC2	[O-]c1onc2c1CC[NH2+]CC2	mol13998	Oc1onc2c1CCNCC2