pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.08	AttenGpKa training set	0	-1	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,C=CC[NH+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13	mol29750	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13
10.74	AttenGpKa training set	0	-1	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,C=CC[NH+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc([O-])cc13	mol29750	C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13