pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	Datawarrior	1	0	C[C@H]1O[NH2+]Cc2ccccc21	C[C@H]1ONCc2ccccc21	mol14022	CC1ONCc2ccccc21
3.5999999	OCHEM	1	0	C[C@H]1O[NH2+]Cc2ccccc21	C[C@H]1ONCc2ccccc21	mol14022	CC1ONCc2ccccc21
3.59999990463257	QSARToolbox	1	0	C[C@H]1O[NH2+]Cc2ccccc21	C[C@H]1ONCc2ccccc21	mol14022	CC1ONCc2ccccc21