pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	AttenGpKa training set	0	-1	C[NH+]1[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]2CC[C@H]1C(=O)[O-]	CN1[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]2CC[C@H]1C(=O)[O-]	mol29719	CN1[C@@H]2Cc3c[nH]c4cccc(c34)C2CC[C@H]1C(=O)O
3.6	AttenGpKa training set	1	0	C[NH+]1[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]2CC[C@H]1C(=O)O	C[NH+]1[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]2CC[C@H]1C(=O)[O-]	mol29719	CN1[C@@H]2Cc3c[nH]c4cccc(c34)C2CC[C@H]1C(=O)O