pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	AttenGpKa training set	1	0	C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3[C@H](CN4)C[C@H]2[NH+](C)C1	C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3[C@H](CN4)C[C@H]2N(C)C1	mol29878	C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3C(CN4)C[C@H]2N(C)C1