pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.35	AttenGpKa training set	1	0	""	""	mol30205	CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4[C@H]1C3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(OC(C)=O)[C@@H](O)[C@@H]3OC)[C@H](OC)C[C@H]2O