pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.0	OCHEM	1	0	O=C1[C@@H]2[C@@H](C[NH+]3CCC[C@@H]23)C(=O)N1Cc1ccc(F)cc1	O=C1[C@@H]2[C@@H](CN3CCC[C@@H]23)C(=O)N1Cc1ccc(F)cc1	mol269	O=C1[C@@H]2[C@@H](CN3CCC[C@@H]23)C(=O)N1Cc1ccc(F)cc1
7.04	AttenGpKa training set	1	0	O=C1[C@@H]2[C@@H](C[NH+]3CCC[C@@H]23)C(=O)N1Cc1ccc(F)cc1	O=C1[C@@H]2[C@@H](CN3CCC[C@@H]23)C(=O)N1Cc1ccc(F)cc1	mol269	O=C1[C@@H]2[C@@H](CN3CCC[C@@H]23)C(=O)N1Cc1ccc(F)cc1