pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	Datawarrior	1	0	C[C@@H]1[NH2+]OCc2ccccc21	C[C@@H]1NOCc2ccccc21	mol14021	CC1NOCc2ccccc21
3.70000004768372	QSARToolbox	1	0	C[C@@H]1[NH2+]OCc2ccccc21	C[C@@H]1NOCc2ccccc21	mol14021	CC1NOCc2ccccc21