pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.08	Datawarrior	1	0	O=C(/C=C1/C=CC=C[NH2+]1)c1ccccc1	O=C(/C=C1/C=CC=CN1)c1ccccc1	mol15769	O=C(/C=C1/C=CC=CN1)c1ccccc1
3.5699999332428	QSARToolbox	1	0	O=C(/C=C1/C=CC=C[NH2+]1)c1ccccc1	O=C(/C=C1/C=CC=CN1)c1ccccc1	mol15769	O=C(/C=C1/C=CC=CN1)c1ccccc1