pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.92	AttenGpKa training set	1	0	O=C1C=CC[C@@H]2[C@H]3CCC[N@+]4(O)CCC[C@@H](CN12)[C@@H]34	O=C1C=CC[C@@H]2[C@H]3CCC[N@+]4([O-])CCC[C@@H](CN12)[C@@H]34	mol29700	O=C1C=CC[C@@H]2[C@H]3CCC[N@+]4(O)CCC[C@@H](CN12)[C@@H]34