pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.56999969482422	QSARToolbox	0	-1	C[NH+]1C[C@@H](C(=O)[O-])C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	CN1C[C@@H](C(=O)[O-])C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	mol37621	CN1C[C@@H](C(=O)O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21