pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.0	Baltruschat ChEMBL	1	0	OC[C@@H]1[NH+]=C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O	OC[C@@H]1N=C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O	mol16220	OC[C@@H]1N=C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O