pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.02000045776367	QSARToolbox	0	-1	O=CN[C@@H](CCCC[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[O-]	O=CN[C@@H](CCCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)[O-]	mol37416	O=CN[C@@H](CCCCNC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O