pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.08	Datawarrior	1	0	C[NH+]1CC[C@@]23c4c5ccc(O)c4O[C@]2(C)C(=O)CC[C@@H]3[C@@H]1C5	C[NH+]1CC[C@@]23c4c5ccc([O-])c4O[C@]2(C)C(=O)CC[C@@H]3[C@@H]1C5,CN1CC[C@@]23c4c5ccc(O)c4O[C@]2(C)C(=O)CC[C@@H]3[C@@H]1C5	mol15052	CN1CC[C@@]23c4c5ccc(O)c4O[C@]2(C)C(=O)CC[C@@H]3[C@@H]1C5