pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Datawarrior	0	-1	[O-]c1onc2c1CC[NH+](Cc1ccccc1)CC2	[O-]c1onc2c1CCN(Cc1ccccc1)CC2	mol14818	Oc1onc2c1CCN(Cc1ccccc1)CC2
3.3	Datawarrior	1	0	Oc1onc2c1CC[NH+](Cc1ccccc1)CC2	[O-]c1onc2c1CC[NH+](Cc1ccccc1)CC2	mol14818	Oc1onc2c1CCN(Cc1ccccc1)CC2