pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.8299999	OCHEM	1	0	C=CC[NH+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5	C=CC[NH+]1CC[C@]23c4c5ccc([O-])c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5	mol32668	C=CCN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5