pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0	QSARToolbox	2	1	C[C@H](C[NH+](C)C)[NH+]=C(c1ccccc1O)c1ccccc1O	C[C@H](C[NH+](C)C)N=C(c1ccccc1O)c1ccccc1O,C[C@H](CN(C)C)[NH+]=C(c1ccccc1O)c1ccccc1O	mol34768	CC(CN(C)C)N=C(c1ccccc1O)c1ccccc1O