├── IChem ├── IChem.lic ├── IChem_v528 ├── ichem_DRD3.conf └── ichem_ERB.conf ├── LICENSE ├── README.md ├── SpaceDock ├── __pycache__ │ ├── ichemparser.cpython-39.pyc │ ├── mol2parser.cpython-39.pyc │ ├── mol2reader.cpython-39.pyc │ ├── reaction.cpython-39.pyc │ └── reagent.cpython-39.pyc ├── ichemparser.py ├── mol2parser.py ├── reaction.py └── reagent.py ├── SpaceDock_launcher.py ├── data ├── README ├── amines4amide.list ├── amines4sulfonamide.list ├── aminophenols4benzoxazole.list ├── benzaldehydes4benzoxazole.list ├── carboxylicacids4amide.list ├── sulfonylchlorides4sulfonamide.list └── tag_table_REAL.tsv ├── docked_BBs_DRD3 ├── acide_1_m10295 │ ├── acide_1_m10295.rnk │ ├── gold_acide_1_m10295.log │ ├── gold_acide_1_m10295.mol2 │ ├── gold_soln_acide_1_m10295_1.mol2 │ ├── gold_soln_acide_1_m10295_10.mol2 │ ├── gold_soln_acide_1_m10295_11.mol2 │ ├── gold_soln_acide_1_m10295_12.mol2 │ ├── gold_soln_acide_1_m10295_13.mol2 │ ├── gold_soln_acide_1_m10295_14.mol2 │ ├── gold_soln_acide_1_m10295_15.mol2 │ ├── gold_soln_acide_1_m10295_16.mol2 │ ├── gold_soln_acide_1_m10295_17.mol2 │ ├── gold_soln_acide_1_m10295_18.mol2 │ ├── gold_soln_acide_1_m10295_19.mol2 │ ├── gold_soln_acide_1_m10295_2.mol2 │ ├── gold_soln_acide_1_m10295_20.mol2 │ ├── gold_soln_acide_1_m10295_3.mol2 │ ├── gold_soln_acide_1_m10295_4.mol2 │ ├── gold_soln_acide_1_m10295_5.mol2 │ ├── gold_soln_acide_1_m10295_6.mol2 │ ├── gold_soln_acide_1_m10295_7.mol2 │ ├── gold_soln_acide_1_m10295_8.mol2 │ ├── gold_soln_acide_1_m10295_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m10295_1.mol2 │ ├── ranked_acide_1_m10295_10.mol2 │ ├── ranked_acide_1_m10295_11.mol2 │ ├── ranked_acide_1_m10295_12.mol2 │ ├── ranked_acide_1_m10295_13.mol2 │ ├── ranked_acide_1_m10295_14.mol2 │ ├── ranked_acide_1_m10295_15.mol2 │ ├── ranked_acide_1_m10295_16.mol2 │ ├── ranked_acide_1_m10295_17.mol2 │ ├── ranked_acide_1_m10295_18.mol2 │ ├── ranked_acide_1_m10295_19.mol2 │ ├── ranked_acide_1_m10295_2.mol2 │ ├── ranked_acide_1_m10295_20.mol2 │ ├── ranked_acide_1_m10295_3.mol2 │ ├── ranked_acide_1_m10295_4.mol2 │ ├── ranked_acide_1_m10295_5.mol2 │ ├── ranked_acide_1_m10295_6.mol2 │ ├── ranked_acide_1_m10295_7.mol2 │ ├── ranked_acide_1_m10295_8.mol2 │ └── ranked_acide_1_m10295_9.mol2 ├── acide_1_m127 │ ├── acide_1_m127.rnk │ ├── gold_acide_1_m127.log │ ├── gold_acide_1_m127.mol2 │ ├── gold_soln_acide_1_m127_1.mol2 │ ├── gold_soln_acide_1_m127_10.mol2 │ ├── gold_soln_acide_1_m127_11.mol2 │ ├── gold_soln_acide_1_m127_12.mol2 │ ├── gold_soln_acide_1_m127_13.mol2 │ ├── gold_soln_acide_1_m127_14.mol2 │ ├── gold_soln_acide_1_m127_15.mol2 │ ├── gold_soln_acide_1_m127_16.mol2 │ ├── gold_soln_acide_1_m127_17.mol2 │ ├── gold_soln_acide_1_m127_18.mol2 │ ├── gold_soln_acide_1_m127_19.mol2 │ ├── gold_soln_acide_1_m127_2.mol2 │ ├── gold_soln_acide_1_m127_20.mol2 │ ├── gold_soln_acide_1_m127_3.mol2 │ ├── gold_soln_acide_1_m127_4.mol2 │ ├── gold_soln_acide_1_m127_5.mol2 │ ├── gold_soln_acide_1_m127_6.mol2 │ ├── gold_soln_acide_1_m127_7.mol2 │ ├── gold_soln_acide_1_m127_8.mol2 │ ├── gold_soln_acide_1_m127_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m127_1.mol2 │ ├── ranked_acide_1_m127_10.mol2 │ ├── ranked_acide_1_m127_11.mol2 │ ├── ranked_acide_1_m127_12.mol2 │ ├── ranked_acide_1_m127_13.mol2 │ ├── ranked_acide_1_m127_14.mol2 │ ├── ranked_acide_1_m127_15.mol2 │ ├── ranked_acide_1_m127_16.mol2 │ ├── ranked_acide_1_m127_17.mol2 │ ├── ranked_acide_1_m127_18.mol2 │ ├── ranked_acide_1_m127_19.mol2 │ ├── ranked_acide_1_m127_2.mol2 │ ├── ranked_acide_1_m127_20.mol2 │ ├── ranked_acide_1_m127_3.mol2 │ ├── ranked_acide_1_m127_4.mol2 │ ├── ranked_acide_1_m127_5.mol2 │ ├── ranked_acide_1_m127_6.mol2 │ ├── ranked_acide_1_m127_7.mol2 │ ├── ranked_acide_1_m127_8.mol2 │ └── ranked_acide_1_m127_9.mol2 ├── acide_1_m195 │ ├── acide_1_m195.rnk │ ├── gold_acide_1_m195.log │ ├── gold_acide_1_m195.mol2 │ ├── gold_soln_acide_1_m195_1.mol2 │ ├── gold_soln_acide_1_m195_10.mol2 │ ├── gold_soln_acide_1_m195_11.mol2 │ ├── gold_soln_acide_1_m195_12.mol2 │ ├── gold_soln_acide_1_m195_13.mol2 │ ├── gold_soln_acide_1_m195_14.mol2 │ ├── gold_soln_acide_1_m195_15.mol2 │ ├── gold_soln_acide_1_m195_16.mol2 │ ├── gold_soln_acide_1_m195_17.mol2 │ ├── gold_soln_acide_1_m195_18.mol2 │ ├── gold_soln_acide_1_m195_19.mol2 │ ├── gold_soln_acide_1_m195_2.mol2 │ ├── gold_soln_acide_1_m195_20.mol2 │ ├── gold_soln_acide_1_m195_3.mol2 │ ├── gold_soln_acide_1_m195_4.mol2 │ ├── gold_soln_acide_1_m195_5.mol2 │ ├── gold_soln_acide_1_m195_6.mol2 │ ├── gold_soln_acide_1_m195_7.mol2 │ ├── gold_soln_acide_1_m195_8.mol2 │ ├── gold_soln_acide_1_m195_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m195_1.mol2 │ ├── ranked_acide_1_m195_10.mol2 │ ├── ranked_acide_1_m195_11.mol2 │ ├── ranked_acide_1_m195_12.mol2 │ ├── ranked_acide_1_m195_13.mol2 │ ├── ranked_acide_1_m195_14.mol2 │ ├── ranked_acide_1_m195_15.mol2 │ ├── ranked_acide_1_m195_16.mol2 │ ├── ranked_acide_1_m195_17.mol2 │ ├── ranked_acide_1_m195_18.mol2 │ ├── ranked_acide_1_m195_19.mol2 │ ├── ranked_acide_1_m195_2.mol2 │ ├── ranked_acide_1_m195_20.mol2 │ ├── ranked_acide_1_m195_3.mol2 │ ├── ranked_acide_1_m195_4.mol2 │ ├── ranked_acide_1_m195_5.mol2 │ ├── ranked_acide_1_m195_6.mol2 │ ├── ranked_acide_1_m195_7.mol2 │ ├── ranked_acide_1_m195_8.mol2 │ └── ranked_acide_1_m195_9.mol2 ├── acide_1_m268 │ ├── acide_1_m268.rnk │ ├── gold_acide_1_m268.log │ ├── gold_acide_1_m268.mol2 │ ├── gold_soln_acide_1_m268_1.mol2 │ ├── gold_soln_acide_1_m268_10.mol2 │ ├── gold_soln_acide_1_m268_11.mol2 │ ├── gold_soln_acide_1_m268_12.mol2 │ ├── gold_soln_acide_1_m268_13.mol2 │ ├── gold_soln_acide_1_m268_14.mol2 │ ├── gold_soln_acide_1_m268_15.mol2 │ ├── gold_soln_acide_1_m268_16.mol2 │ ├── gold_soln_acide_1_m268_17.mol2 │ ├── gold_soln_acide_1_m268_18.mol2 │ ├── gold_soln_acide_1_m268_19.mol2 │ ├── gold_soln_acide_1_m268_2.mol2 │ ├── gold_soln_acide_1_m268_20.mol2 │ ├── gold_soln_acide_1_m268_3.mol2 │ ├── gold_soln_acide_1_m268_4.mol2 │ ├── gold_soln_acide_1_m268_5.mol2 │ ├── gold_soln_acide_1_m268_6.mol2 │ ├── gold_soln_acide_1_m268_7.mol2 │ ├── gold_soln_acide_1_m268_8.mol2 │ ├── gold_soln_acide_1_m268_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m268_1.mol2 │ ├── ranked_acide_1_m268_10.mol2 │ ├── ranked_acide_1_m268_11.mol2 │ ├── ranked_acide_1_m268_12.mol2 │ ├── ranked_acide_1_m268_13.mol2 │ ├── ranked_acide_1_m268_14.mol2 │ ├── ranked_acide_1_m268_15.mol2 │ ├── ranked_acide_1_m268_16.mol2 │ ├── ranked_acide_1_m268_17.mol2 │ ├── ranked_acide_1_m268_18.mol2 │ ├── ranked_acide_1_m268_19.mol2 │ ├── ranked_acide_1_m268_2.mol2 │ ├── ranked_acide_1_m268_20.mol2 │ ├── ranked_acide_1_m268_3.mol2 │ ├── ranked_acide_1_m268_4.mol2 │ ├── ranked_acide_1_m268_5.mol2 │ ├── ranked_acide_1_m268_6.mol2 │ ├── ranked_acide_1_m268_7.mol2 │ ├── ranked_acide_1_m268_8.mol2 │ └── ranked_acide_1_m268_9.mol2 ├── acide_1_m2793 │ ├── acide_1_m2793.rnk │ ├── gold_acide_1_m2793.log │ ├── gold_acide_1_m2793.mol2 │ ├── gold_soln_acide_1_m2793_1.mol2 │ ├── gold_soln_acide_1_m2793_10.mol2 │ ├── gold_soln_acide_1_m2793_11.mol2 │ ├── gold_soln_acide_1_m2793_12.mol2 │ ├── gold_soln_acide_1_m2793_13.mol2 │ ├── gold_soln_acide_1_m2793_14.mol2 │ ├── gold_soln_acide_1_m2793_15.mol2 │ ├── gold_soln_acide_1_m2793_16.mol2 │ ├── gold_soln_acide_1_m2793_17.mol2 │ ├── gold_soln_acide_1_m2793_18.mol2 │ ├── gold_soln_acide_1_m2793_19.mol2 │ ├── gold_soln_acide_1_m2793_2.mol2 │ ├── gold_soln_acide_1_m2793_20.mol2 │ ├── gold_soln_acide_1_m2793_3.mol2 │ ├── gold_soln_acide_1_m2793_4.mol2 │ ├── gold_soln_acide_1_m2793_5.mol2 │ ├── gold_soln_acide_1_m2793_6.mol2 │ ├── gold_soln_acide_1_m2793_7.mol2 │ ├── gold_soln_acide_1_m2793_8.mol2 │ ├── gold_soln_acide_1_m2793_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m2793_1.mol2 │ ├── ranked_acide_1_m2793_10.mol2 │ ├── ranked_acide_1_m2793_11.mol2 │ ├── ranked_acide_1_m2793_12.mol2 │ ├── ranked_acide_1_m2793_13.mol2 │ ├── ranked_acide_1_m2793_14.mol2 │ ├── ranked_acide_1_m2793_15.mol2 │ ├── ranked_acide_1_m2793_16.mol2 │ ├── ranked_acide_1_m2793_17.mol2 │ ├── ranked_acide_1_m2793_18.mol2 │ ├── ranked_acide_1_m2793_19.mol2 │ ├── ranked_acide_1_m2793_2.mol2 │ ├── ranked_acide_1_m2793_20.mol2 │ ├── ranked_acide_1_m2793_3.mol2 │ ├── ranked_acide_1_m2793_4.mol2 │ ├── ranked_acide_1_m2793_5.mol2 │ ├── ranked_acide_1_m2793_6.mol2 │ ├── ranked_acide_1_m2793_7.mol2 │ ├── ranked_acide_1_m2793_8.mol2 │ └── ranked_acide_1_m2793_9.mol2 ├── acide_1_m2798 │ ├── acide_1_m2798.rnk │ ├── gold_acide_1_m2798.log │ ├── gold_acide_1_m2798.mol2 │ ├── gold_soln_acide_1_m2798_1.mol2 │ ├── gold_soln_acide_1_m2798_10.mol2 │ ├── gold_soln_acide_1_m2798_11.mol2 │ ├── gold_soln_acide_1_m2798_12.mol2 │ ├── gold_soln_acide_1_m2798_13.mol2 │ ├── gold_soln_acide_1_m2798_14.mol2 │ ├── gold_soln_acide_1_m2798_15.mol2 │ ├── gold_soln_acide_1_m2798_16.mol2 │ ├── gold_soln_acide_1_m2798_17.mol2 │ ├── gold_soln_acide_1_m2798_18.mol2 │ ├── gold_soln_acide_1_m2798_19.mol2 │ ├── gold_soln_acide_1_m2798_2.mol2 │ ├── gold_soln_acide_1_m2798_20.mol2 │ ├── gold_soln_acide_1_m2798_3.mol2 │ ├── gold_soln_acide_1_m2798_4.mol2 │ ├── gold_soln_acide_1_m2798_5.mol2 │ ├── gold_soln_acide_1_m2798_6.mol2 │ ├── gold_soln_acide_1_m2798_7.mol2 │ ├── gold_soln_acide_1_m2798_8.mol2 │ ├── gold_soln_acide_1_m2798_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m2798_1.mol2 │ ├── ranked_acide_1_m2798_10.mol2 │ ├── ranked_acide_1_m2798_11.mol2 │ ├── ranked_acide_1_m2798_12.mol2 │ ├── ranked_acide_1_m2798_13.mol2 │ ├── ranked_acide_1_m2798_14.mol2 │ ├── ranked_acide_1_m2798_15.mol2 │ ├── ranked_acide_1_m2798_16.mol2 │ ├── ranked_acide_1_m2798_17.mol2 │ ├── ranked_acide_1_m2798_18.mol2 │ ├── ranked_acide_1_m2798_19.mol2 │ ├── ranked_acide_1_m2798_2.mol2 │ ├── ranked_acide_1_m2798_20.mol2 │ ├── ranked_acide_1_m2798_3.mol2 │ ├── ranked_acide_1_m2798_4.mol2 │ ├── ranked_acide_1_m2798_5.mol2 │ ├── ranked_acide_1_m2798_6.mol2 │ ├── ranked_acide_1_m2798_7.mol2 │ ├── ranked_acide_1_m2798_8.mol2 │ └── ranked_acide_1_m2798_9.mol2 ├── acide_1_m324 │ ├── acide_1_m324.rnk │ ├── gold_acide_1_m324.log │ ├── gold_acide_1_m324.mol2 │ ├── gold_soln_acide_1_m324_1.mol2 │ ├── gold_soln_acide_1_m324_10.mol2 │ ├── gold_soln_acide_1_m324_11.mol2 │ ├── gold_soln_acide_1_m324_12.mol2 │ ├── gold_soln_acide_1_m324_13.mol2 │ ├── gold_soln_acide_1_m324_14.mol2 │ ├── gold_soln_acide_1_m324_15.mol2 │ ├── gold_soln_acide_1_m324_16.mol2 │ ├── gold_soln_acide_1_m324_17.mol2 │ ├── gold_soln_acide_1_m324_18.mol2 │ ├── gold_soln_acide_1_m324_19.mol2 │ ├── gold_soln_acide_1_m324_2.mol2 │ ├── gold_soln_acide_1_m324_20.mol2 │ ├── gold_soln_acide_1_m324_3.mol2 │ ├── gold_soln_acide_1_m324_4.mol2 │ ├── gold_soln_acide_1_m324_5.mol2 │ ├── gold_soln_acide_1_m324_6.mol2 │ ├── gold_soln_acide_1_m324_7.mol2 │ ├── gold_soln_acide_1_m324_8.mol2 │ ├── gold_soln_acide_1_m324_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m324_1.mol2 │ ├── ranked_acide_1_m324_10.mol2 │ ├── ranked_acide_1_m324_11.mol2 │ ├── ranked_acide_1_m324_12.mol2 │ ├── ranked_acide_1_m324_13.mol2 │ ├── ranked_acide_1_m324_14.mol2 │ ├── ranked_acide_1_m324_15.mol2 │ ├── ranked_acide_1_m324_16.mol2 │ ├── ranked_acide_1_m324_17.mol2 │ ├── ranked_acide_1_m324_18.mol2 │ ├── ranked_acide_1_m324_19.mol2 │ ├── ranked_acide_1_m324_2.mol2 │ ├── ranked_acide_1_m324_20.mol2 │ ├── ranked_acide_1_m324_3.mol2 │ ├── ranked_acide_1_m324_4.mol2 │ ├── ranked_acide_1_m324_5.mol2 │ ├── ranked_acide_1_m324_6.mol2 │ ├── ranked_acide_1_m324_7.mol2 │ ├── ranked_acide_1_m324_8.mol2 │ └── ranked_acide_1_m324_9.mol2 ├── acide_1_m382 │ ├── acide_1_m382.rnk │ ├── gold_acide_1_m382.log │ ├── gold_acide_1_m382.mol2 │ ├── gold_soln_acide_1_m382_1.mol2 │ ├── gold_soln_acide_1_m382_10.mol2 │ ├── gold_soln_acide_1_m382_11.mol2 │ ├── gold_soln_acide_1_m382_12.mol2 │ ├── gold_soln_acide_1_m382_13.mol2 │ ├── gold_soln_acide_1_m382_14.mol2 │ ├── gold_soln_acide_1_m382_15.mol2 │ ├── gold_soln_acide_1_m382_16.mol2 │ ├── gold_soln_acide_1_m382_17.mol2 │ ├── gold_soln_acide_1_m382_18.mol2 │ ├── gold_soln_acide_1_m382_19.mol2 │ ├── gold_soln_acide_1_m382_2.mol2 │ ├── gold_soln_acide_1_m382_20.mol2 │ ├── gold_soln_acide_1_m382_3.mol2 │ ├── gold_soln_acide_1_m382_4.mol2 │ ├── gold_soln_acide_1_m382_5.mol2 │ ├── gold_soln_acide_1_m382_6.mol2 │ ├── gold_soln_acide_1_m382_7.mol2 │ ├── gold_soln_acide_1_m382_8.mol2 │ ├── gold_soln_acide_1_m382_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m382_1.mol2 │ ├── ranked_acide_1_m382_10.mol2 │ ├── ranked_acide_1_m382_11.mol2 │ ├── ranked_acide_1_m382_12.mol2 │ ├── ranked_acide_1_m382_13.mol2 │ ├── ranked_acide_1_m382_14.mol2 │ ├── ranked_acide_1_m382_15.mol2 │ ├── ranked_acide_1_m382_16.mol2 │ ├── ranked_acide_1_m382_17.mol2 │ ├── ranked_acide_1_m382_18.mol2 │ ├── ranked_acide_1_m382_19.mol2 │ ├── ranked_acide_1_m382_2.mol2 │ ├── ranked_acide_1_m382_20.mol2 │ ├── ranked_acide_1_m382_3.mol2 │ ├── ranked_acide_1_m382_4.mol2 │ ├── ranked_acide_1_m382_5.mol2 │ ├── ranked_acide_1_m382_6.mol2 │ ├── ranked_acide_1_m382_7.mol2 │ ├── ranked_acide_1_m382_8.mol2 │ └── ranked_acide_1_m382_9.mol2 ├── acide_1_m392 │ ├── acide_1_m392.rnk │ ├── gold_acide_1_m392.log │ ├── gold_acide_1_m392.mol2 │ ├── gold_soln_acide_1_m392_1.mol2 │ ├── gold_soln_acide_1_m392_10.mol2 │ ├── gold_soln_acide_1_m392_11.mol2 │ ├── gold_soln_acide_1_m392_12.mol2 │ ├── gold_soln_acide_1_m392_13.mol2 │ ├── gold_soln_acide_1_m392_14.mol2 │ ├── gold_soln_acide_1_m392_15.mol2 │ ├── gold_soln_acide_1_m392_16.mol2 │ ├── gold_soln_acide_1_m392_17.mol2 │ ├── gold_soln_acide_1_m392_18.mol2 │ ├── gold_soln_acide_1_m392_19.mol2 │ ├── gold_soln_acide_1_m392_2.mol2 │ ├── gold_soln_acide_1_m392_20.mol2 │ ├── gold_soln_acide_1_m392_3.mol2 │ ├── gold_soln_acide_1_m392_4.mol2 │ ├── gold_soln_acide_1_m392_5.mol2 │ ├── gold_soln_acide_1_m392_6.mol2 │ ├── gold_soln_acide_1_m392_7.mol2 │ ├── gold_soln_acide_1_m392_8.mol2 │ ├── gold_soln_acide_1_m392_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m392_1.mol2 │ ├── ranked_acide_1_m392_10.mol2 │ ├── ranked_acide_1_m392_11.mol2 │ ├── ranked_acide_1_m392_12.mol2 │ ├── ranked_acide_1_m392_13.mol2 │ ├── ranked_acide_1_m392_14.mol2 │ ├── ranked_acide_1_m392_15.mol2 │ ├── ranked_acide_1_m392_16.mol2 │ ├── ranked_acide_1_m392_17.mol2 │ ├── ranked_acide_1_m392_18.mol2 │ ├── ranked_acide_1_m392_19.mol2 │ ├── ranked_acide_1_m392_2.mol2 │ ├── ranked_acide_1_m392_20.mol2 │ ├── ranked_acide_1_m392_3.mol2 │ ├── ranked_acide_1_m392_4.mol2 │ ├── ranked_acide_1_m392_5.mol2 │ ├── ranked_acide_1_m392_6.mol2 │ ├── ranked_acide_1_m392_7.mol2 │ ├── ranked_acide_1_m392_8.mol2 │ └── ranked_acide_1_m392_9.mol2 ├── acide_1_m524 │ ├── acide_1_m524.rnk │ ├── gold_acide_1_m524.log │ ├── gold_acide_1_m524.mol2 │ ├── gold_soln_acide_1_m524_1.mol2 │ ├── gold_soln_acide_1_m524_10.mol2 │ ├── gold_soln_acide_1_m524_11.mol2 │ ├── gold_soln_acide_1_m524_12.mol2 │ ├── gold_soln_acide_1_m524_13.mol2 │ ├── gold_soln_acide_1_m524_14.mol2 │ ├── gold_soln_acide_1_m524_15.mol2 │ ├── gold_soln_acide_1_m524_16.mol2 │ ├── gold_soln_acide_1_m524_17.mol2 │ ├── gold_soln_acide_1_m524_18.mol2 │ ├── gold_soln_acide_1_m524_19.mol2 │ ├── gold_soln_acide_1_m524_2.mol2 │ ├── gold_soln_acide_1_m524_20.mol2 │ ├── gold_soln_acide_1_m524_3.mol2 │ ├── gold_soln_acide_1_m524_4.mol2 │ ├── gold_soln_acide_1_m524_5.mol2 │ ├── gold_soln_acide_1_m524_6.mol2 │ ├── gold_soln_acide_1_m524_7.mol2 │ ├── gold_soln_acide_1_m524_8.mol2 │ ├── gold_soln_acide_1_m524_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m524_1.mol2 │ ├── ranked_acide_1_m524_10.mol2 │ ├── ranked_acide_1_m524_11.mol2 │ ├── ranked_acide_1_m524_12.mol2 │ ├── ranked_acide_1_m524_13.mol2 │ ├── ranked_acide_1_m524_14.mol2 │ ├── ranked_acide_1_m524_15.mol2 │ ├── ranked_acide_1_m524_16.mol2 │ ├── ranked_acide_1_m524_17.mol2 │ ├── ranked_acide_1_m524_18.mol2 │ ├── ranked_acide_1_m524_19.mol2 │ ├── ranked_acide_1_m524_2.mol2 │ ├── ranked_acide_1_m524_20.mol2 │ ├── ranked_acide_1_m524_3.mol2 │ ├── ranked_acide_1_m524_4.mol2 │ ├── ranked_acide_1_m524_5.mol2 │ ├── ranked_acide_1_m524_6.mol2 │ ├── ranked_acide_1_m524_7.mol2 │ ├── ranked_acide_1_m524_8.mol2 │ └── ranked_acide_1_m524_9.mol2 ├── acide_1_m6716 │ ├── acide_1_m6716.rnk │ ├── gold_acide_1_m6716.log │ ├── gold_acide_1_m6716.mol2 │ ├── gold_soln_acide_1_m6716_1.mol2 │ ├── gold_soln_acide_1_m6716_10.mol2 │ ├── gold_soln_acide_1_m6716_11.mol2 │ ├── gold_soln_acide_1_m6716_12.mol2 │ ├── gold_soln_acide_1_m6716_13.mol2 │ ├── gold_soln_acide_1_m6716_14.mol2 │ ├── gold_soln_acide_1_m6716_15.mol2 │ ├── gold_soln_acide_1_m6716_16.mol2 │ ├── gold_soln_acide_1_m6716_17.mol2 │ ├── gold_soln_acide_1_m6716_18.mol2 │ ├── gold_soln_acide_1_m6716_19.mol2 │ ├── gold_soln_acide_1_m6716_2.mol2 │ ├── gold_soln_acide_1_m6716_20.mol2 │ ├── gold_soln_acide_1_m6716_3.mol2 │ ├── gold_soln_acide_1_m6716_4.mol2 │ ├── gold_soln_acide_1_m6716_5.mol2 │ ├── gold_soln_acide_1_m6716_6.mol2 │ ├── gold_soln_acide_1_m6716_7.mol2 │ ├── gold_soln_acide_1_m6716_8.mol2 │ ├── gold_soln_acide_1_m6716_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m6716_1.mol2 │ ├── ranked_acide_1_m6716_10.mol2 │ ├── ranked_acide_1_m6716_11.mol2 │ ├── ranked_acide_1_m6716_12.mol2 │ ├── ranked_acide_1_m6716_13.mol2 │ ├── ranked_acide_1_m6716_14.mol2 │ ├── ranked_acide_1_m6716_15.mol2 │ ├── ranked_acide_1_m6716_16.mol2 │ ├── ranked_acide_1_m6716_17.mol2 │ ├── ranked_acide_1_m6716_18.mol2 │ ├── ranked_acide_1_m6716_19.mol2 │ ├── ranked_acide_1_m6716_2.mol2 │ ├── ranked_acide_1_m6716_20.mol2 │ ├── ranked_acide_1_m6716_3.mol2 │ ├── ranked_acide_1_m6716_4.mol2 │ ├── ranked_acide_1_m6716_5.mol2 │ ├── ranked_acide_1_m6716_6.mol2 │ ├── ranked_acide_1_m6716_7.mol2 │ ├── ranked_acide_1_m6716_8.mol2 │ └── ranked_acide_1_m6716_9.mol2 ├── acide_1_m8527 │ ├── acide_1_m8527.rnk │ ├── gold_acide_1_m8527.log │ ├── gold_acide_1_m8527.mol2 │ ├── gold_soln_acide_1_m8527_1.mol2 │ ├── gold_soln_acide_1_m8527_10.mol2 │ ├── gold_soln_acide_1_m8527_11.mol2 │ ├── gold_soln_acide_1_m8527_12.mol2 │ ├── gold_soln_acide_1_m8527_13.mol2 │ ├── gold_soln_acide_1_m8527_14.mol2 │ ├── gold_soln_acide_1_m8527_15.mol2 │ ├── gold_soln_acide_1_m8527_16.mol2 │ ├── gold_soln_acide_1_m8527_17.mol2 │ ├── gold_soln_acide_1_m8527_18.mol2 │ ├── gold_soln_acide_1_m8527_19.mol2 │ ├── gold_soln_acide_1_m8527_2.mol2 │ ├── gold_soln_acide_1_m8527_20.mol2 │ ├── gold_soln_acide_1_m8527_3.mol2 │ ├── gold_soln_acide_1_m8527_4.mol2 │ ├── gold_soln_acide_1_m8527_5.mol2 │ ├── gold_soln_acide_1_m8527_6.mol2 │ ├── gold_soln_acide_1_m8527_7.mol2 │ ├── gold_soln_acide_1_m8527_8.mol2 │ ├── gold_soln_acide_1_m8527_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_1_m8527_1.mol2 │ ├── ranked_acide_1_m8527_10.mol2 │ ├── ranked_acide_1_m8527_11.mol2 │ ├── ranked_acide_1_m8527_12.mol2 │ ├── ranked_acide_1_m8527_13.mol2 │ ├── ranked_acide_1_m8527_14.mol2 │ ├── ranked_acide_1_m8527_15.mol2 │ ├── ranked_acide_1_m8527_16.mol2 │ ├── ranked_acide_1_m8527_17.mol2 │ ├── ranked_acide_1_m8527_18.mol2 │ ├── ranked_acide_1_m8527_19.mol2 │ ├── ranked_acide_1_m8527_2.mol2 │ ├── ranked_acide_1_m8527_20.mol2 │ ├── ranked_acide_1_m8527_3.mol2 │ ├── ranked_acide_1_m8527_4.mol2 │ ├── ranked_acide_1_m8527_5.mol2 │ ├── ranked_acide_1_m8527_6.mol2 │ ├── ranked_acide_1_m8527_7.mol2 │ ├── ranked_acide_1_m8527_8.mol2 │ └── ranked_acide_1_m8527_9.mol2 ├── acide_2_m3756 │ ├── acide_2_m3756.rnk │ ├── gold_acide_2_m3756.log │ ├── gold_acide_2_m3756.mol2 │ ├── gold_soln_acide_2_m3756_1.mol2 │ ├── gold_soln_acide_2_m3756_10.mol2 │ ├── gold_soln_acide_2_m3756_11.mol2 │ ├── gold_soln_acide_2_m3756_12.mol2 │ ├── gold_soln_acide_2_m3756_13.mol2 │ ├── gold_soln_acide_2_m3756_14.mol2 │ ├── gold_soln_acide_2_m3756_15.mol2 │ ├── gold_soln_acide_2_m3756_16.mol2 │ ├── gold_soln_acide_2_m3756_17.mol2 │ ├── gold_soln_acide_2_m3756_18.mol2 │ ├── gold_soln_acide_2_m3756_19.mol2 │ ├── gold_soln_acide_2_m3756_2.mol2 │ ├── gold_soln_acide_2_m3756_20.mol2 │ ├── gold_soln_acide_2_m3756_3.mol2 │ ├── gold_soln_acide_2_m3756_4.mol2 │ ├── gold_soln_acide_2_m3756_5.mol2 │ ├── gold_soln_acide_2_m3756_6.mol2 │ ├── gold_soln_acide_2_m3756_7.mol2 │ ├── gold_soln_acide_2_m3756_8.mol2 │ ├── gold_soln_acide_2_m3756_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m3756_1.mol2 │ ├── ranked_acide_2_m3756_10.mol2 │ ├── ranked_acide_2_m3756_11.mol2 │ ├── ranked_acide_2_m3756_12.mol2 │ ├── ranked_acide_2_m3756_13.mol2 │ ├── ranked_acide_2_m3756_14.mol2 │ ├── ranked_acide_2_m3756_15.mol2 │ ├── ranked_acide_2_m3756_16.mol2 │ ├── ranked_acide_2_m3756_17.mol2 │ ├── ranked_acide_2_m3756_18.mol2 │ ├── ranked_acide_2_m3756_19.mol2 │ ├── ranked_acide_2_m3756_2.mol2 │ ├── ranked_acide_2_m3756_20.mol2 │ ├── ranked_acide_2_m3756_3.mol2 │ ├── ranked_acide_2_m3756_4.mol2 │ ├── ranked_acide_2_m3756_5.mol2 │ ├── ranked_acide_2_m3756_6.mol2 │ ├── ranked_acide_2_m3756_7.mol2 │ ├── ranked_acide_2_m3756_8.mol2 │ └── ranked_acide_2_m3756_9.mol2 ├── acide_2_m3780 │ ├── acide_2_m3780.rnk │ ├── gold_acide_2_m3780.log │ ├── gold_acide_2_m3780.mol2 │ ├── gold_soln_acide_2_m3780_1.mol2 │ ├── gold_soln_acide_2_m3780_10.mol2 │ ├── gold_soln_acide_2_m3780_11.mol2 │ ├── gold_soln_acide_2_m3780_12.mol2 │ ├── gold_soln_acide_2_m3780_13.mol2 │ ├── gold_soln_acide_2_m3780_14.mol2 │ ├── gold_soln_acide_2_m3780_15.mol2 │ ├── gold_soln_acide_2_m3780_16.mol2 │ ├── gold_soln_acide_2_m3780_17.mol2 │ ├── gold_soln_acide_2_m3780_18.mol2 │ ├── gold_soln_acide_2_m3780_19.mol2 │ ├── gold_soln_acide_2_m3780_2.mol2 │ ├── gold_soln_acide_2_m3780_20.mol2 │ ├── gold_soln_acide_2_m3780_3.mol2 │ ├── gold_soln_acide_2_m3780_4.mol2 │ ├── gold_soln_acide_2_m3780_5.mol2 │ ├── gold_soln_acide_2_m3780_6.mol2 │ ├── gold_soln_acide_2_m3780_7.mol2 │ ├── gold_soln_acide_2_m3780_8.mol2 │ ├── gold_soln_acide_2_m3780_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m3780_1.mol2 │ ├── ranked_acide_2_m3780_10.mol2 │ ├── ranked_acide_2_m3780_11.mol2 │ ├── ranked_acide_2_m3780_12.mol2 │ ├── ranked_acide_2_m3780_13.mol2 │ ├── ranked_acide_2_m3780_14.mol2 │ ├── ranked_acide_2_m3780_15.mol2 │ ├── ranked_acide_2_m3780_16.mol2 │ ├── ranked_acide_2_m3780_17.mol2 │ ├── ranked_acide_2_m3780_18.mol2 │ ├── ranked_acide_2_m3780_19.mol2 │ ├── ranked_acide_2_m3780_2.mol2 │ ├── ranked_acide_2_m3780_20.mol2 │ ├── ranked_acide_2_m3780_3.mol2 │ ├── ranked_acide_2_m3780_4.mol2 │ ├── ranked_acide_2_m3780_5.mol2 │ ├── ranked_acide_2_m3780_6.mol2 │ ├── ranked_acide_2_m3780_7.mol2 │ ├── ranked_acide_2_m3780_8.mol2 │ └── ranked_acide_2_m3780_9.mol2 ├── acide_2_m6465 │ ├── acide_2_m6465.rnk │ ├── gold_acide_2_m6465.log │ ├── gold_acide_2_m6465.mol2 │ ├── gold_soln_acide_2_m6465_1.mol2 │ ├── gold_soln_acide_2_m6465_10.mol2 │ ├── gold_soln_acide_2_m6465_11.mol2 │ ├── gold_soln_acide_2_m6465_12.mol2 │ ├── gold_soln_acide_2_m6465_13.mol2 │ ├── gold_soln_acide_2_m6465_14.mol2 │ ├── gold_soln_acide_2_m6465_15.mol2 │ ├── gold_soln_acide_2_m6465_16.mol2 │ ├── gold_soln_acide_2_m6465_17.mol2 │ ├── gold_soln_acide_2_m6465_18.mol2 │ ├── gold_soln_acide_2_m6465_19.mol2 │ ├── gold_soln_acide_2_m6465_2.mol2 │ ├── gold_soln_acide_2_m6465_20.mol2 │ ├── gold_soln_acide_2_m6465_3.mol2 │ ├── gold_soln_acide_2_m6465_4.mol2 │ ├── gold_soln_acide_2_m6465_5.mol2 │ ├── gold_soln_acide_2_m6465_6.mol2 │ ├── gold_soln_acide_2_m6465_7.mol2 │ ├── gold_soln_acide_2_m6465_8.mol2 │ ├── gold_soln_acide_2_m6465_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6465_1.mol2 │ ├── ranked_acide_2_m6465_10.mol2 │ ├── ranked_acide_2_m6465_11.mol2 │ ├── ranked_acide_2_m6465_12.mol2 │ ├── ranked_acide_2_m6465_13.mol2 │ ├── ranked_acide_2_m6465_14.mol2 │ ├── ranked_acide_2_m6465_15.mol2 │ ├── ranked_acide_2_m6465_16.mol2 │ ├── ranked_acide_2_m6465_17.mol2 │ ├── ranked_acide_2_m6465_18.mol2 │ ├── ranked_acide_2_m6465_19.mol2 │ ├── ranked_acide_2_m6465_2.mol2 │ ├── ranked_acide_2_m6465_20.mol2 │ ├── ranked_acide_2_m6465_3.mol2 │ ├── ranked_acide_2_m6465_4.mol2 │ ├── ranked_acide_2_m6465_5.mol2 │ ├── ranked_acide_2_m6465_6.mol2 │ ├── ranked_acide_2_m6465_7.mol2 │ ├── ranked_acide_2_m6465_8.mol2 │ └── ranked_acide_2_m6465_9.mol2 ├── acide_2_m6525 │ ├── acide_2_m6525.rnk │ ├── gold_acide_2_m6525.log │ ├── gold_acide_2_m6525.mol2 │ ├── gold_soln_acide_2_m6525_1.mol2 │ ├── gold_soln_acide_2_m6525_10.mol2 │ ├── gold_soln_acide_2_m6525_11.mol2 │ ├── gold_soln_acide_2_m6525_12.mol2 │ ├── gold_soln_acide_2_m6525_13.mol2 │ ├── gold_soln_acide_2_m6525_14.mol2 │ ├── gold_soln_acide_2_m6525_15.mol2 │ ├── gold_soln_acide_2_m6525_16.mol2 │ ├── gold_soln_acide_2_m6525_17.mol2 │ ├── gold_soln_acide_2_m6525_18.mol2 │ ├── gold_soln_acide_2_m6525_19.mol2 │ ├── gold_soln_acide_2_m6525_2.mol2 │ ├── gold_soln_acide_2_m6525_20.mol2 │ ├── gold_soln_acide_2_m6525_3.mol2 │ ├── gold_soln_acide_2_m6525_4.mol2 │ ├── gold_soln_acide_2_m6525_5.mol2 │ ├── gold_soln_acide_2_m6525_6.mol2 │ ├── gold_soln_acide_2_m6525_7.mol2 │ ├── gold_soln_acide_2_m6525_8.mol2 │ ├── gold_soln_acide_2_m6525_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6525_1.mol2 │ ├── ranked_acide_2_m6525_10.mol2 │ ├── ranked_acide_2_m6525_11.mol2 │ ├── ranked_acide_2_m6525_12.mol2 │ ├── ranked_acide_2_m6525_13.mol2 │ ├── ranked_acide_2_m6525_14.mol2 │ ├── ranked_acide_2_m6525_15.mol2 │ ├── ranked_acide_2_m6525_16.mol2 │ ├── ranked_acide_2_m6525_17.mol2 │ ├── ranked_acide_2_m6525_18.mol2 │ ├── ranked_acide_2_m6525_19.mol2 │ ├── ranked_acide_2_m6525_2.mol2 │ ├── ranked_acide_2_m6525_20.mol2 │ ├── ranked_acide_2_m6525_3.mol2 │ ├── ranked_acide_2_m6525_4.mol2 │ ├── ranked_acide_2_m6525_5.mol2 │ ├── ranked_acide_2_m6525_6.mol2 │ ├── ranked_acide_2_m6525_7.mol2 │ ├── ranked_acide_2_m6525_8.mol2 │ └── ranked_acide_2_m6525_9.mol2 ├── acide_2_m6586 │ ├── acide_2_m6586.rnk │ ├── gold_acide_2_m6586.log │ ├── gold_acide_2_m6586.mol2 │ ├── gold_soln_acide_2_m6586_1.mol2 │ ├── gold_soln_acide_2_m6586_10.mol2 │ ├── gold_soln_acide_2_m6586_11.mol2 │ ├── gold_soln_acide_2_m6586_12.mol2 │ ├── gold_soln_acide_2_m6586_13.mol2 │ ├── gold_soln_acide_2_m6586_14.mol2 │ ├── gold_soln_acide_2_m6586_15.mol2 │ ├── gold_soln_acide_2_m6586_16.mol2 │ ├── gold_soln_acide_2_m6586_17.mol2 │ ├── gold_soln_acide_2_m6586_18.mol2 │ ├── gold_soln_acide_2_m6586_19.mol2 │ ├── gold_soln_acide_2_m6586_2.mol2 │ ├── gold_soln_acide_2_m6586_20.mol2 │ ├── gold_soln_acide_2_m6586_3.mol2 │ ├── gold_soln_acide_2_m6586_4.mol2 │ ├── gold_soln_acide_2_m6586_5.mol2 │ ├── gold_soln_acide_2_m6586_6.mol2 │ ├── gold_soln_acide_2_m6586_7.mol2 │ ├── gold_soln_acide_2_m6586_8.mol2 │ ├── gold_soln_acide_2_m6586_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6586_1.mol2 │ ├── ranked_acide_2_m6586_10.mol2 │ ├── ranked_acide_2_m6586_11.mol2 │ ├── ranked_acide_2_m6586_12.mol2 │ ├── ranked_acide_2_m6586_13.mol2 │ ├── ranked_acide_2_m6586_14.mol2 │ ├── ranked_acide_2_m6586_15.mol2 │ ├── ranked_acide_2_m6586_16.mol2 │ ├── ranked_acide_2_m6586_17.mol2 │ ├── ranked_acide_2_m6586_18.mol2 │ ├── ranked_acide_2_m6586_19.mol2 │ ├── ranked_acide_2_m6586_2.mol2 │ ├── ranked_acide_2_m6586_20.mol2 │ ├── ranked_acide_2_m6586_3.mol2 │ ├── ranked_acide_2_m6586_4.mol2 │ ├── ranked_acide_2_m6586_5.mol2 │ ├── ranked_acide_2_m6586_6.mol2 │ ├── ranked_acide_2_m6586_7.mol2 │ ├── ranked_acide_2_m6586_8.mol2 │ └── ranked_acide_2_m6586_9.mol2 ├── acide_2_m6590 │ ├── acide_2_m6590.rnk │ ├── gold_acide_2_m6590.log │ ├── gold_acide_2_m6590.mol2 │ ├── gold_soln_acide_2_m6590_1.mol2 │ ├── gold_soln_acide_2_m6590_10.mol2 │ ├── gold_soln_acide_2_m6590_11.mol2 │ ├── gold_soln_acide_2_m6590_12.mol2 │ ├── gold_soln_acide_2_m6590_13.mol2 │ ├── gold_soln_acide_2_m6590_14.mol2 │ ├── gold_soln_acide_2_m6590_15.mol2 │ ├── gold_soln_acide_2_m6590_16.mol2 │ ├── gold_soln_acide_2_m6590_17.mol2 │ ├── gold_soln_acide_2_m6590_18.mol2 │ ├── gold_soln_acide_2_m6590_19.mol2 │ ├── gold_soln_acide_2_m6590_2.mol2 │ ├── gold_soln_acide_2_m6590_20.mol2 │ ├── gold_soln_acide_2_m6590_3.mol2 │ ├── gold_soln_acide_2_m6590_4.mol2 │ ├── gold_soln_acide_2_m6590_5.mol2 │ ├── gold_soln_acide_2_m6590_6.mol2 │ ├── gold_soln_acide_2_m6590_7.mol2 │ ├── gold_soln_acide_2_m6590_8.mol2 │ ├── gold_soln_acide_2_m6590_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6590_1.mol2 │ ├── ranked_acide_2_m6590_10.mol2 │ ├── ranked_acide_2_m6590_11.mol2 │ ├── ranked_acide_2_m6590_12.mol2 │ ├── ranked_acide_2_m6590_13.mol2 │ ├── ranked_acide_2_m6590_14.mol2 │ ├── ranked_acide_2_m6590_15.mol2 │ ├── ranked_acide_2_m6590_16.mol2 │ ├── ranked_acide_2_m6590_17.mol2 │ ├── ranked_acide_2_m6590_18.mol2 │ ├── ranked_acide_2_m6590_19.mol2 │ ├── ranked_acide_2_m6590_2.mol2 │ ├── ranked_acide_2_m6590_20.mol2 │ ├── ranked_acide_2_m6590_3.mol2 │ ├── ranked_acide_2_m6590_4.mol2 │ ├── ranked_acide_2_m6590_5.mol2 │ ├── ranked_acide_2_m6590_6.mol2 │ ├── ranked_acide_2_m6590_7.mol2 │ ├── ranked_acide_2_m6590_8.mol2 │ └── ranked_acide_2_m6590_9.mol2 ├── acide_2_m6664 │ ├── acide_2_m6664.rnk │ ├── gold_acide_2_m6664.log │ ├── gold_acide_2_m6664.mol2 │ ├── gold_soln_acide_2_m6664_1.mol2 │ ├── gold_soln_acide_2_m6664_10.mol2 │ ├── gold_soln_acide_2_m6664_11.mol2 │ ├── gold_soln_acide_2_m6664_12.mol2 │ ├── gold_soln_acide_2_m6664_13.mol2 │ ├── gold_soln_acide_2_m6664_14.mol2 │ ├── gold_soln_acide_2_m6664_15.mol2 │ ├── gold_soln_acide_2_m6664_16.mol2 │ ├── gold_soln_acide_2_m6664_17.mol2 │ ├── gold_soln_acide_2_m6664_18.mol2 │ ├── gold_soln_acide_2_m6664_19.mol2 │ ├── gold_soln_acide_2_m6664_2.mol2 │ ├── gold_soln_acide_2_m6664_20.mol2 │ ├── gold_soln_acide_2_m6664_3.mol2 │ ├── gold_soln_acide_2_m6664_4.mol2 │ ├── gold_soln_acide_2_m6664_5.mol2 │ ├── gold_soln_acide_2_m6664_6.mol2 │ ├── gold_soln_acide_2_m6664_7.mol2 │ ├── gold_soln_acide_2_m6664_8.mol2 │ ├── gold_soln_acide_2_m6664_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6664_1.mol2 │ ├── ranked_acide_2_m6664_10.mol2 │ ├── ranked_acide_2_m6664_11.mol2 │ ├── ranked_acide_2_m6664_12.mol2 │ ├── ranked_acide_2_m6664_13.mol2 │ ├── ranked_acide_2_m6664_14.mol2 │ ├── ranked_acide_2_m6664_15.mol2 │ ├── ranked_acide_2_m6664_16.mol2 │ ├── ranked_acide_2_m6664_17.mol2 │ ├── ranked_acide_2_m6664_18.mol2 │ ├── ranked_acide_2_m6664_19.mol2 │ ├── ranked_acide_2_m6664_2.mol2 │ ├── ranked_acide_2_m6664_20.mol2 │ ├── ranked_acide_2_m6664_3.mol2 │ ├── ranked_acide_2_m6664_4.mol2 │ ├── ranked_acide_2_m6664_5.mol2 │ ├── ranked_acide_2_m6664_6.mol2 │ ├── ranked_acide_2_m6664_7.mol2 │ ├── ranked_acide_2_m6664_8.mol2 │ └── ranked_acide_2_m6664_9.mol2 ├── acide_2_m6724 │ ├── acide_2_m6724.rnk │ ├── gold_acide_2_m6724.log │ ├── gold_acide_2_m6724.mol2 │ ├── gold_soln_acide_2_m6724_1.mol2 │ ├── gold_soln_acide_2_m6724_10.mol2 │ ├── gold_soln_acide_2_m6724_11.mol2 │ ├── gold_soln_acide_2_m6724_12.mol2 │ ├── gold_soln_acide_2_m6724_13.mol2 │ ├── gold_soln_acide_2_m6724_14.mol2 │ ├── gold_soln_acide_2_m6724_15.mol2 │ ├── gold_soln_acide_2_m6724_16.mol2 │ ├── gold_soln_acide_2_m6724_17.mol2 │ ├── gold_soln_acide_2_m6724_18.mol2 │ ├── gold_soln_acide_2_m6724_19.mol2 │ ├── gold_soln_acide_2_m6724_2.mol2 │ ├── gold_soln_acide_2_m6724_20.mol2 │ ├── gold_soln_acide_2_m6724_3.mol2 │ ├── gold_soln_acide_2_m6724_4.mol2 │ ├── gold_soln_acide_2_m6724_5.mol2 │ ├── gold_soln_acide_2_m6724_6.mol2 │ ├── gold_soln_acide_2_m6724_7.mol2 │ ├── gold_soln_acide_2_m6724_8.mol2 │ ├── gold_soln_acide_2_m6724_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6724_1.mol2 │ ├── ranked_acide_2_m6724_10.mol2 │ ├── ranked_acide_2_m6724_11.mol2 │ ├── ranked_acide_2_m6724_12.mol2 │ ├── ranked_acide_2_m6724_13.mol2 │ ├── ranked_acide_2_m6724_14.mol2 │ ├── ranked_acide_2_m6724_15.mol2 │ ├── ranked_acide_2_m6724_16.mol2 │ ├── ranked_acide_2_m6724_17.mol2 │ ├── ranked_acide_2_m6724_18.mol2 │ ├── ranked_acide_2_m6724_19.mol2 │ ├── ranked_acide_2_m6724_2.mol2 │ ├── ranked_acide_2_m6724_20.mol2 │ ├── ranked_acide_2_m6724_3.mol2 │ ├── ranked_acide_2_m6724_4.mol2 │ ├── ranked_acide_2_m6724_5.mol2 │ ├── ranked_acide_2_m6724_6.mol2 │ ├── ranked_acide_2_m6724_7.mol2 │ ├── ranked_acide_2_m6724_8.mol2 │ └── ranked_acide_2_m6724_9.mol2 ├── acide_2_m6787 │ ├── acide_2_m6787.rnk │ ├── gold_acide_2_m6787.log │ ├── gold_acide_2_m6787.mol2 │ ├── gold_soln_acide_2_m6787_1.mol2 │ ├── gold_soln_acide_2_m6787_10.mol2 │ ├── gold_soln_acide_2_m6787_11.mol2 │ ├── gold_soln_acide_2_m6787_12.mol2 │ ├── gold_soln_acide_2_m6787_13.mol2 │ ├── gold_soln_acide_2_m6787_14.mol2 │ ├── gold_soln_acide_2_m6787_15.mol2 │ ├── gold_soln_acide_2_m6787_16.mol2 │ ├── gold_soln_acide_2_m6787_17.mol2 │ ├── gold_soln_acide_2_m6787_18.mol2 │ ├── gold_soln_acide_2_m6787_19.mol2 │ ├── gold_soln_acide_2_m6787_2.mol2 │ ├── gold_soln_acide_2_m6787_20.mol2 │ ├── gold_soln_acide_2_m6787_3.mol2 │ ├── gold_soln_acide_2_m6787_4.mol2 │ ├── gold_soln_acide_2_m6787_5.mol2 │ ├── gold_soln_acide_2_m6787_6.mol2 │ ├── gold_soln_acide_2_m6787_7.mol2 │ ├── gold_soln_acide_2_m6787_8.mol2 │ ├── gold_soln_acide_2_m6787_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6787_1.mol2 │ ├── ranked_acide_2_m6787_10.mol2 │ ├── ranked_acide_2_m6787_11.mol2 │ ├── ranked_acide_2_m6787_12.mol2 │ ├── ranked_acide_2_m6787_13.mol2 │ ├── ranked_acide_2_m6787_14.mol2 │ ├── ranked_acide_2_m6787_15.mol2 │ ├── ranked_acide_2_m6787_16.mol2 │ ├── ranked_acide_2_m6787_17.mol2 │ ├── ranked_acide_2_m6787_18.mol2 │ ├── ranked_acide_2_m6787_19.mol2 │ ├── ranked_acide_2_m6787_2.mol2 │ ├── ranked_acide_2_m6787_20.mol2 │ ├── ranked_acide_2_m6787_3.mol2 │ ├── ranked_acide_2_m6787_4.mol2 │ ├── ranked_acide_2_m6787_5.mol2 │ ├── ranked_acide_2_m6787_6.mol2 │ ├── ranked_acide_2_m6787_7.mol2 │ ├── ranked_acide_2_m6787_8.mol2 │ └── ranked_acide_2_m6787_9.mol2 ├── acide_2_m6937 │ ├── acide_2_m6937.rnk │ ├── gold_acide_2_m6937.log │ ├── gold_acide_2_m6937.mol2 │ ├── gold_soln_acide_2_m6937_1.mol2 │ ├── gold_soln_acide_2_m6937_10.mol2 │ ├── gold_soln_acide_2_m6937_11.mol2 │ ├── gold_soln_acide_2_m6937_12.mol2 │ ├── gold_soln_acide_2_m6937_13.mol2 │ ├── gold_soln_acide_2_m6937_14.mol2 │ ├── gold_soln_acide_2_m6937_15.mol2 │ ├── gold_soln_acide_2_m6937_16.mol2 │ ├── gold_soln_acide_2_m6937_17.mol2 │ ├── gold_soln_acide_2_m6937_18.mol2 │ ├── gold_soln_acide_2_m6937_19.mol2 │ ├── gold_soln_acide_2_m6937_2.mol2 │ ├── gold_soln_acide_2_m6937_20.mol2 │ ├── gold_soln_acide_2_m6937_3.mol2 │ ├── gold_soln_acide_2_m6937_4.mol2 │ ├── gold_soln_acide_2_m6937_5.mol2 │ ├── gold_soln_acide_2_m6937_6.mol2 │ ├── gold_soln_acide_2_m6937_7.mol2 │ ├── gold_soln_acide_2_m6937_8.mol2 │ ├── gold_soln_acide_2_m6937_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_2_m6937_1.mol2 │ ├── ranked_acide_2_m6937_10.mol2 │ ├── ranked_acide_2_m6937_11.mol2 │ ├── ranked_acide_2_m6937_12.mol2 │ ├── ranked_acide_2_m6937_13.mol2 │ ├── ranked_acide_2_m6937_14.mol2 │ ├── ranked_acide_2_m6937_15.mol2 │ ├── ranked_acide_2_m6937_16.mol2 │ ├── ranked_acide_2_m6937_17.mol2 │ ├── ranked_acide_2_m6937_18.mol2 │ ├── ranked_acide_2_m6937_19.mol2 │ ├── ranked_acide_2_m6937_2.mol2 │ ├── ranked_acide_2_m6937_20.mol2 │ ├── ranked_acide_2_m6937_3.mol2 │ ├── ranked_acide_2_m6937_4.mol2 │ ├── ranked_acide_2_m6937_5.mol2 │ ├── ranked_acide_2_m6937_6.mol2 │ ├── ranked_acide_2_m6937_7.mol2 │ ├── ranked_acide_2_m6937_8.mol2 │ └── ranked_acide_2_m6937_9.mol2 ├── acide_3_m206 │ ├── acide_3_m206.rnk │ ├── gold_acide_3_m206.log │ ├── gold_acide_3_m206.mol2 │ ├── gold_soln_acide_3_m206_1.mol2 │ ├── gold_soln_acide_3_m206_10.mol2 │ ├── gold_soln_acide_3_m206_11.mol2 │ ├── gold_soln_acide_3_m206_12.mol2 │ ├── gold_soln_acide_3_m206_13.mol2 │ ├── gold_soln_acide_3_m206_14.mol2 │ ├── gold_soln_acide_3_m206_15.mol2 │ ├── gold_soln_acide_3_m206_16.mol2 │ ├── gold_soln_acide_3_m206_17.mol2 │ ├── gold_soln_acide_3_m206_18.mol2 │ ├── gold_soln_acide_3_m206_19.mol2 │ ├── gold_soln_acide_3_m206_2.mol2 │ ├── gold_soln_acide_3_m206_20.mol2 │ ├── gold_soln_acide_3_m206_3.mol2 │ ├── gold_soln_acide_3_m206_4.mol2 │ ├── gold_soln_acide_3_m206_5.mol2 │ ├── gold_soln_acide_3_m206_6.mol2 │ ├── gold_soln_acide_3_m206_7.mol2 │ ├── gold_soln_acide_3_m206_8.mol2 │ ├── gold_soln_acide_3_m206_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_3_m206_1.mol2 │ ├── ranked_acide_3_m206_10.mol2 │ ├── ranked_acide_3_m206_11.mol2 │ ├── ranked_acide_3_m206_12.mol2 │ ├── ranked_acide_3_m206_13.mol2 │ ├── ranked_acide_3_m206_14.mol2 │ ├── ranked_acide_3_m206_15.mol2 │ ├── ranked_acide_3_m206_16.mol2 │ ├── ranked_acide_3_m206_17.mol2 │ ├── ranked_acide_3_m206_18.mol2 │ ├── ranked_acide_3_m206_19.mol2 │ ├── ranked_acide_3_m206_2.mol2 │ ├── ranked_acide_3_m206_20.mol2 │ ├── ranked_acide_3_m206_3.mol2 │ ├── ranked_acide_3_m206_4.mol2 │ ├── ranked_acide_3_m206_5.mol2 │ ├── ranked_acide_3_m206_6.mol2 │ ├── ranked_acide_3_m206_7.mol2 │ ├── ranked_acide_3_m206_8.mol2 │ └── ranked_acide_3_m206_9.mol2 ├── acide_3_m26 │ ├── acide_3_m26.rnk │ ├── gold_acide_3_m26.log │ ├── gold_acide_3_m26.mol2 │ ├── gold_soln_acide_3_m26_1.mol2 │ ├── gold_soln_acide_3_m26_10.mol2 │ ├── gold_soln_acide_3_m26_11.mol2 │ ├── gold_soln_acide_3_m26_12.mol2 │ ├── gold_soln_acide_3_m26_13.mol2 │ ├── gold_soln_acide_3_m26_14.mol2 │ ├── gold_soln_acide_3_m26_15.mol2 │ ├── gold_soln_acide_3_m26_16.mol2 │ ├── gold_soln_acide_3_m26_17.mol2 │ ├── gold_soln_acide_3_m26_18.mol2 │ ├── gold_soln_acide_3_m26_19.mol2 │ ├── gold_soln_acide_3_m26_2.mol2 │ ├── gold_soln_acide_3_m26_20.mol2 │ ├── gold_soln_acide_3_m26_3.mol2 │ ├── gold_soln_acide_3_m26_4.mol2 │ ├── gold_soln_acide_3_m26_5.mol2 │ ├── gold_soln_acide_3_m26_6.mol2 │ ├── gold_soln_acide_3_m26_7.mol2 │ ├── gold_soln_acide_3_m26_8.mol2 │ ├── gold_soln_acide_3_m26_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_3_m26_1.mol2 │ ├── ranked_acide_3_m26_10.mol2 │ ├── ranked_acide_3_m26_11.mol2 │ ├── ranked_acide_3_m26_12.mol2 │ ├── ranked_acide_3_m26_13.mol2 │ ├── ranked_acide_3_m26_14.mol2 │ ├── ranked_acide_3_m26_15.mol2 │ ├── ranked_acide_3_m26_16.mol2 │ ├── ranked_acide_3_m26_17.mol2 │ ├── ranked_acide_3_m26_18.mol2 │ ├── ranked_acide_3_m26_19.mol2 │ ├── ranked_acide_3_m26_2.mol2 │ ├── ranked_acide_3_m26_20.mol2 │ ├── ranked_acide_3_m26_3.mol2 │ ├── ranked_acide_3_m26_4.mol2 │ ├── ranked_acide_3_m26_5.mol2 │ ├── ranked_acide_3_m26_6.mol2 │ ├── ranked_acide_3_m26_7.mol2 │ ├── ranked_acide_3_m26_8.mol2 │ └── ranked_acide_3_m26_9.mol2 ├── acide_3_m292 │ ├── acide_3_m292.rnk │ ├── gold_acide_3_m292.log │ ├── gold_acide_3_m292.mol2 │ ├── gold_soln_acide_3_m292_1.mol2 │ ├── gold_soln_acide_3_m292_10.mol2 │ ├── gold_soln_acide_3_m292_11.mol2 │ ├── gold_soln_acide_3_m292_12.mol2 │ ├── gold_soln_acide_3_m292_13.mol2 │ ├── gold_soln_acide_3_m292_14.mol2 │ ├── gold_soln_acide_3_m292_15.mol2 │ ├── gold_soln_acide_3_m292_16.mol2 │ ├── gold_soln_acide_3_m292_17.mol2 │ ├── gold_soln_acide_3_m292_18.mol2 │ ├── gold_soln_acide_3_m292_19.mol2 │ ├── gold_soln_acide_3_m292_2.mol2 │ ├── gold_soln_acide_3_m292_20.mol2 │ ├── gold_soln_acide_3_m292_3.mol2 │ ├── gold_soln_acide_3_m292_4.mol2 │ ├── gold_soln_acide_3_m292_5.mol2 │ ├── gold_soln_acide_3_m292_6.mol2 │ ├── gold_soln_acide_3_m292_7.mol2 │ ├── gold_soln_acide_3_m292_8.mol2 │ ├── gold_soln_acide_3_m292_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_3_m292_1.mol2 │ ├── ranked_acide_3_m292_10.mol2 │ ├── ranked_acide_3_m292_11.mol2 │ ├── ranked_acide_3_m292_12.mol2 │ ├── ranked_acide_3_m292_13.mol2 │ ├── ranked_acide_3_m292_14.mol2 │ ├── ranked_acide_3_m292_15.mol2 │ ├── ranked_acide_3_m292_16.mol2 │ ├── ranked_acide_3_m292_17.mol2 │ ├── ranked_acide_3_m292_18.mol2 │ ├── ranked_acide_3_m292_19.mol2 │ ├── ranked_acide_3_m292_2.mol2 │ ├── ranked_acide_3_m292_20.mol2 │ ├── ranked_acide_3_m292_3.mol2 │ ├── ranked_acide_3_m292_4.mol2 │ ├── ranked_acide_3_m292_5.mol2 │ ├── ranked_acide_3_m292_6.mol2 │ ├── ranked_acide_3_m292_7.mol2 │ ├── ranked_acide_3_m292_8.mol2 │ └── ranked_acide_3_m292_9.mol2 ├── acide_3_m420 │ ├── acide_3_m420.rnk │ ├── gold_acide_3_m420.log │ ├── gold_acide_3_m420.mol2 │ ├── gold_soln_acide_3_m420_1.mol2 │ ├── gold_soln_acide_3_m420_10.mol2 │ ├── gold_soln_acide_3_m420_11.mol2 │ ├── gold_soln_acide_3_m420_12.mol2 │ ├── gold_soln_acide_3_m420_13.mol2 │ ├── gold_soln_acide_3_m420_14.mol2 │ ├── gold_soln_acide_3_m420_15.mol2 │ ├── gold_soln_acide_3_m420_16.mol2 │ ├── gold_soln_acide_3_m420_17.mol2 │ ├── gold_soln_acide_3_m420_18.mol2 │ ├── gold_soln_acide_3_m420_19.mol2 │ ├── gold_soln_acide_3_m420_2.mol2 │ ├── gold_soln_acide_3_m420_20.mol2 │ ├── gold_soln_acide_3_m420_3.mol2 │ ├── gold_soln_acide_3_m420_4.mol2 │ ├── gold_soln_acide_3_m420_5.mol2 │ ├── gold_soln_acide_3_m420_6.mol2 │ ├── gold_soln_acide_3_m420_7.mol2 │ ├── gold_soln_acide_3_m420_8.mol2 │ ├── gold_soln_acide_3_m420_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_3_m420_1.mol2 │ ├── ranked_acide_3_m420_10.mol2 │ ├── ranked_acide_3_m420_11.mol2 │ ├── ranked_acide_3_m420_12.mol2 │ ├── ranked_acide_3_m420_13.mol2 │ ├── ranked_acide_3_m420_14.mol2 │ ├── ranked_acide_3_m420_15.mol2 │ ├── ranked_acide_3_m420_16.mol2 │ ├── ranked_acide_3_m420_17.mol2 │ ├── ranked_acide_3_m420_18.mol2 │ ├── ranked_acide_3_m420_19.mol2 │ ├── ranked_acide_3_m420_2.mol2 │ ├── ranked_acide_3_m420_20.mol2 │ ├── ranked_acide_3_m420_3.mol2 │ ├── ranked_acide_3_m420_4.mol2 │ ├── ranked_acide_3_m420_5.mol2 │ ├── ranked_acide_3_m420_6.mol2 │ ├── ranked_acide_3_m420_7.mol2 │ ├── ranked_acide_3_m420_8.mol2 │ └── ranked_acide_3_m420_9.mol2 ├── acide_3_m8936 │ ├── acide_3_m8936.rnk │ ├── gold_acide_3_m8936.log │ ├── gold_acide_3_m8936.mol2 │ ├── gold_soln_acide_3_m8936_1.mol2 │ ├── gold_soln_acide_3_m8936_10.mol2 │ ├── gold_soln_acide_3_m8936_11.mol2 │ ├── gold_soln_acide_3_m8936_12.mol2 │ ├── gold_soln_acide_3_m8936_13.mol2 │ ├── gold_soln_acide_3_m8936_14.mol2 │ ├── gold_soln_acide_3_m8936_15.mol2 │ ├── gold_soln_acide_3_m8936_16.mol2 │ ├── gold_soln_acide_3_m8936_17.mol2 │ ├── gold_soln_acide_3_m8936_18.mol2 │ ├── gold_soln_acide_3_m8936_19.mol2 │ ├── gold_soln_acide_3_m8936_2.mol2 │ ├── gold_soln_acide_3_m8936_20.mol2 │ ├── gold_soln_acide_3_m8936_3.mol2 │ ├── gold_soln_acide_3_m8936_4.mol2 │ ├── gold_soln_acide_3_m8936_5.mol2 │ ├── gold_soln_acide_3_m8936_6.mol2 │ ├── gold_soln_acide_3_m8936_7.mol2 │ ├── gold_soln_acide_3_m8936_8.mol2 │ ├── gold_soln_acide_3_m8936_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_3_m8936_1.mol2 │ ├── ranked_acide_3_m8936_10.mol2 │ ├── ranked_acide_3_m8936_11.mol2 │ ├── ranked_acide_3_m8936_12.mol2 │ ├── ranked_acide_3_m8936_13.mol2 │ ├── ranked_acide_3_m8936_14.mol2 │ ├── ranked_acide_3_m8936_15.mol2 │ ├── ranked_acide_3_m8936_16.mol2 │ ├── ranked_acide_3_m8936_17.mol2 │ ├── ranked_acide_3_m8936_18.mol2 │ ├── ranked_acide_3_m8936_19.mol2 │ ├── ranked_acide_3_m8936_2.mol2 │ ├── ranked_acide_3_m8936_20.mol2 │ ├── ranked_acide_3_m8936_3.mol2 │ ├── ranked_acide_3_m8936_4.mol2 │ ├── ranked_acide_3_m8936_5.mol2 │ ├── ranked_acide_3_m8936_6.mol2 │ ├── ranked_acide_3_m8936_7.mol2 │ ├── ranked_acide_3_m8936_8.mol2 │ └── ranked_acide_3_m8936_9.mol2 ├── acide_3_m9005 │ ├── acide_3_m9005.rnk │ ├── gold_acide_3_m9005.log │ ├── gold_acide_3_m9005.mol2 │ ├── gold_soln_acide_3_m9005_1.mol2 │ ├── gold_soln_acide_3_m9005_10.mol2 │ ├── gold_soln_acide_3_m9005_11.mol2 │ ├── gold_soln_acide_3_m9005_12.mol2 │ ├── gold_soln_acide_3_m9005_13.mol2 │ ├── gold_soln_acide_3_m9005_14.mol2 │ ├── gold_soln_acide_3_m9005_15.mol2 │ ├── gold_soln_acide_3_m9005_16.mol2 │ ├── gold_soln_acide_3_m9005_17.mol2 │ ├── gold_soln_acide_3_m9005_18.mol2 │ ├── gold_soln_acide_3_m9005_19.mol2 │ ├── gold_soln_acide_3_m9005_2.mol2 │ ├── gold_soln_acide_3_m9005_20.mol2 │ ├── gold_soln_acide_3_m9005_3.mol2 │ ├── gold_soln_acide_3_m9005_4.mol2 │ ├── gold_soln_acide_3_m9005_5.mol2 │ ├── gold_soln_acide_3_m9005_6.mol2 │ ├── gold_soln_acide_3_m9005_7.mol2 │ ├── gold_soln_acide_3_m9005_8.mol2 │ ├── gold_soln_acide_3_m9005_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_acide_3_m9005_1.mol2 │ ├── ranked_acide_3_m9005_10.mol2 │ ├── ranked_acide_3_m9005_11.mol2 │ ├── ranked_acide_3_m9005_12.mol2 │ ├── ranked_acide_3_m9005_13.mol2 │ ├── ranked_acide_3_m9005_14.mol2 │ ├── ranked_acide_3_m9005_15.mol2 │ ├── ranked_acide_3_m9005_16.mol2 │ ├── ranked_acide_3_m9005_17.mol2 │ ├── ranked_acide_3_m9005_18.mol2 │ ├── ranked_acide_3_m9005_19.mol2 │ ├── ranked_acide_3_m9005_2.mol2 │ ├── ranked_acide_3_m9005_20.mol2 │ ├── ranked_acide_3_m9005_3.mol2 │ ├── ranked_acide_3_m9005_4.mol2 │ ├── ranked_acide_3_m9005_5.mol2 │ ├── ranked_acide_3_m9005_6.mol2 │ ├── ranked_acide_3_m9005_7.mol2 │ ├── ranked_acide_3_m9005_8.mol2 │ └── ranked_acide_3_m9005_9.mol2 ├── amine_3_m1113 │ ├── amine_3_m1113.rnk │ ├── gold_amine_3_m1113.log │ ├── gold_amine_3_m1113.mol2 │ ├── gold_soln_amine_3_m1113_1.mol2 │ ├── gold_soln_amine_3_m1113_10.mol2 │ ├── gold_soln_amine_3_m1113_11.mol2 │ ├── gold_soln_amine_3_m1113_12.mol2 │ ├── gold_soln_amine_3_m1113_13.mol2 │ ├── gold_soln_amine_3_m1113_14.mol2 │ ├── gold_soln_amine_3_m1113_15.mol2 │ ├── gold_soln_amine_3_m1113_16.mol2 │ ├── gold_soln_amine_3_m1113_17.mol2 │ ├── gold_soln_amine_3_m1113_18.mol2 │ ├── gold_soln_amine_3_m1113_19.mol2 │ ├── gold_soln_amine_3_m1113_2.mol2 │ ├── gold_soln_amine_3_m1113_20.mol2 │ ├── gold_soln_amine_3_m1113_3.mol2 │ ├── gold_soln_amine_3_m1113_4.mol2 │ ├── gold_soln_amine_3_m1113_5.mol2 │ ├── gold_soln_amine_3_m1113_6.mol2 │ ├── gold_soln_amine_3_m1113_7.mol2 │ ├── gold_soln_amine_3_m1113_8.mol2 │ ├── gold_soln_amine_3_m1113_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m1113_1.mol2 │ ├── ranked_amine_3_m1113_10.mol2 │ ├── ranked_amine_3_m1113_11.mol2 │ ├── ranked_amine_3_m1113_12.mol2 │ ├── ranked_amine_3_m1113_13.mol2 │ ├── ranked_amine_3_m1113_14.mol2 │ ├── ranked_amine_3_m1113_15.mol2 │ ├── ranked_amine_3_m1113_16.mol2 │ ├── ranked_amine_3_m1113_17.mol2 │ ├── ranked_amine_3_m1113_18.mol2 │ ├── ranked_amine_3_m1113_19.mol2 │ ├── ranked_amine_3_m1113_2.mol2 │ ├── ranked_amine_3_m1113_20.mol2 │ ├── ranked_amine_3_m1113_3.mol2 │ ├── ranked_amine_3_m1113_4.mol2 │ ├── ranked_amine_3_m1113_5.mol2 │ ├── ranked_amine_3_m1113_6.mol2 │ ├── ranked_amine_3_m1113_7.mol2 │ ├── ranked_amine_3_m1113_8.mol2 │ └── ranked_amine_3_m1113_9.mol2 ├── amine_3_m1236 │ ├── amine_3_m1236.rnk │ ├── gold_amine_3_m1236.log │ ├── gold_amine_3_m1236.mol2 │ ├── gold_soln_amine_3_m1236_1.mol2 │ ├── gold_soln_amine_3_m1236_10.mol2 │ ├── gold_soln_amine_3_m1236_11.mol2 │ ├── gold_soln_amine_3_m1236_12.mol2 │ ├── gold_soln_amine_3_m1236_13.mol2 │ ├── gold_soln_amine_3_m1236_14.mol2 │ ├── gold_soln_amine_3_m1236_15.mol2 │ ├── gold_soln_amine_3_m1236_16.mol2 │ ├── gold_soln_amine_3_m1236_17.mol2 │ ├── gold_soln_amine_3_m1236_18.mol2 │ ├── gold_soln_amine_3_m1236_19.mol2 │ ├── gold_soln_amine_3_m1236_2.mol2 │ ├── gold_soln_amine_3_m1236_20.mol2 │ ├── gold_soln_amine_3_m1236_3.mol2 │ ├── gold_soln_amine_3_m1236_4.mol2 │ ├── gold_soln_amine_3_m1236_5.mol2 │ ├── gold_soln_amine_3_m1236_6.mol2 │ ├── gold_soln_amine_3_m1236_7.mol2 │ ├── gold_soln_amine_3_m1236_8.mol2 │ ├── gold_soln_amine_3_m1236_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m1236_1.mol2 │ ├── ranked_amine_3_m1236_10.mol2 │ ├── ranked_amine_3_m1236_11.mol2 │ ├── ranked_amine_3_m1236_12.mol2 │ ├── ranked_amine_3_m1236_13.mol2 │ ├── ranked_amine_3_m1236_14.mol2 │ ├── ranked_amine_3_m1236_15.mol2 │ ├── ranked_amine_3_m1236_16.mol2 │ ├── ranked_amine_3_m1236_17.mol2 │ ├── ranked_amine_3_m1236_18.mol2 │ ├── ranked_amine_3_m1236_19.mol2 │ ├── ranked_amine_3_m1236_2.mol2 │ ├── ranked_amine_3_m1236_20.mol2 │ ├── ranked_amine_3_m1236_3.mol2 │ ├── ranked_amine_3_m1236_4.mol2 │ ├── ranked_amine_3_m1236_5.mol2 │ ├── ranked_amine_3_m1236_6.mol2 │ ├── ranked_amine_3_m1236_7.mol2 │ ├── ranked_amine_3_m1236_8.mol2 │ └── ranked_amine_3_m1236_9.mol2 ├── amine_3_m696 │ ├── amine_3_m696.rnk │ ├── gold_amine_3_m696.log │ ├── gold_amine_3_m696.mol2 │ ├── gold_soln_amine_3_m696_1.mol2 │ ├── gold_soln_amine_3_m696_10.mol2 │ ├── gold_soln_amine_3_m696_11.mol2 │ ├── gold_soln_amine_3_m696_12.mol2 │ ├── gold_soln_amine_3_m696_13.mol2 │ ├── gold_soln_amine_3_m696_14.mol2 │ ├── gold_soln_amine_3_m696_15.mol2 │ ├── gold_soln_amine_3_m696_16.mol2 │ ├── gold_soln_amine_3_m696_17.mol2 │ ├── gold_soln_amine_3_m696_18.mol2 │ ├── gold_soln_amine_3_m696_19.mol2 │ ├── gold_soln_amine_3_m696_2.mol2 │ ├── gold_soln_amine_3_m696_20.mol2 │ ├── gold_soln_amine_3_m696_3.mol2 │ ├── gold_soln_amine_3_m696_4.mol2 │ ├── gold_soln_amine_3_m696_5.mol2 │ ├── gold_soln_amine_3_m696_6.mol2 │ ├── gold_soln_amine_3_m696_7.mol2 │ ├── gold_soln_amine_3_m696_8.mol2 │ ├── gold_soln_amine_3_m696_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m696_1.mol2 │ ├── ranked_amine_3_m696_10.mol2 │ ├── ranked_amine_3_m696_11.mol2 │ ├── ranked_amine_3_m696_12.mol2 │ ├── ranked_amine_3_m696_13.mol2 │ ├── ranked_amine_3_m696_14.mol2 │ ├── ranked_amine_3_m696_15.mol2 │ ├── ranked_amine_3_m696_16.mol2 │ ├── ranked_amine_3_m696_17.mol2 │ ├── ranked_amine_3_m696_18.mol2 │ ├── ranked_amine_3_m696_19.mol2 │ ├── ranked_amine_3_m696_2.mol2 │ ├── ranked_amine_3_m696_20.mol2 │ ├── ranked_amine_3_m696_3.mol2 │ ├── ranked_amine_3_m696_4.mol2 │ ├── ranked_amine_3_m696_5.mol2 │ ├── ranked_amine_3_m696_6.mol2 │ ├── ranked_amine_3_m696_7.mol2 │ ├── ranked_amine_3_m696_8.mol2 │ └── ranked_amine_3_m696_9.mol2 ├── amine_3_m757 │ ├── amine_3_m757.rnk │ ├── gold_amine_3_m757.log │ ├── gold_amine_3_m757.mol2 │ ├── gold_soln_amine_3_m757_1.mol2 │ ├── gold_soln_amine_3_m757_10.mol2 │ ├── gold_soln_amine_3_m757_11.mol2 │ ├── gold_soln_amine_3_m757_12.mol2 │ ├── gold_soln_amine_3_m757_13.mol2 │ ├── gold_soln_amine_3_m757_14.mol2 │ ├── gold_soln_amine_3_m757_15.mol2 │ ├── gold_soln_amine_3_m757_16.mol2 │ ├── gold_soln_amine_3_m757_17.mol2 │ ├── gold_soln_amine_3_m757_18.mol2 │ ├── gold_soln_amine_3_m757_19.mol2 │ ├── gold_soln_amine_3_m757_2.mol2 │ ├── gold_soln_amine_3_m757_20.mol2 │ ├── gold_soln_amine_3_m757_3.mol2 │ ├── gold_soln_amine_3_m757_4.mol2 │ ├── gold_soln_amine_3_m757_5.mol2 │ ├── gold_soln_amine_3_m757_6.mol2 │ ├── gold_soln_amine_3_m757_7.mol2 │ ├── gold_soln_amine_3_m757_8.mol2 │ ├── gold_soln_amine_3_m757_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m757_1.mol2 │ ├── ranked_amine_3_m757_10.mol2 │ ├── ranked_amine_3_m757_11.mol2 │ ├── ranked_amine_3_m757_12.mol2 │ ├── ranked_amine_3_m757_13.mol2 │ ├── ranked_amine_3_m757_14.mol2 │ ├── ranked_amine_3_m757_15.mol2 │ ├── ranked_amine_3_m757_16.mol2 │ ├── ranked_amine_3_m757_17.mol2 │ ├── ranked_amine_3_m757_18.mol2 │ ├── ranked_amine_3_m757_19.mol2 │ ├── ranked_amine_3_m757_2.mol2 │ ├── ranked_amine_3_m757_20.mol2 │ ├── ranked_amine_3_m757_3.mol2 │ ├── ranked_amine_3_m757_4.mol2 │ ├── ranked_amine_3_m757_5.mol2 │ ├── ranked_amine_3_m757_6.mol2 │ ├── ranked_amine_3_m757_7.mol2 │ ├── ranked_amine_3_m757_8.mol2 │ └── ranked_amine_3_m757_9.mol2 ├── amine_3_m817 │ ├── amine_3_m817.rnk │ ├── gold_amine_3_m817.log │ ├── gold_amine_3_m817.mol2 │ ├── gold_soln_amine_3_m817_1.mol2 │ ├── gold_soln_amine_3_m817_10.mol2 │ ├── gold_soln_amine_3_m817_11.mol2 │ ├── gold_soln_amine_3_m817_12.mol2 │ ├── gold_soln_amine_3_m817_13.mol2 │ ├── gold_soln_amine_3_m817_14.mol2 │ ├── gold_soln_amine_3_m817_15.mol2 │ ├── gold_soln_amine_3_m817_16.mol2 │ ├── gold_soln_amine_3_m817_17.mol2 │ ├── gold_soln_amine_3_m817_18.mol2 │ ├── gold_soln_amine_3_m817_19.mol2 │ ├── gold_soln_amine_3_m817_2.mol2 │ ├── gold_soln_amine_3_m817_20.mol2 │ ├── gold_soln_amine_3_m817_3.mol2 │ ├── gold_soln_amine_3_m817_4.mol2 │ ├── gold_soln_amine_3_m817_5.mol2 │ ├── gold_soln_amine_3_m817_6.mol2 │ ├── gold_soln_amine_3_m817_7.mol2 │ ├── gold_soln_amine_3_m817_8.mol2 │ ├── gold_soln_amine_3_m817_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m817_1.mol2 │ ├── ranked_amine_3_m817_10.mol2 │ ├── ranked_amine_3_m817_11.mol2 │ ├── ranked_amine_3_m817_12.mol2 │ ├── ranked_amine_3_m817_13.mol2 │ ├── ranked_amine_3_m817_14.mol2 │ ├── ranked_amine_3_m817_15.mol2 │ ├── ranked_amine_3_m817_16.mol2 │ ├── ranked_amine_3_m817_17.mol2 │ ├── ranked_amine_3_m817_18.mol2 │ ├── ranked_amine_3_m817_19.mol2 │ ├── ranked_amine_3_m817_2.mol2 │ ├── ranked_amine_3_m817_20.mol2 │ ├── ranked_amine_3_m817_3.mol2 │ ├── ranked_amine_3_m817_4.mol2 │ ├── ranked_amine_3_m817_5.mol2 │ ├── ranked_amine_3_m817_6.mol2 │ ├── ranked_amine_3_m817_7.mol2 │ ├── ranked_amine_3_m817_8.mol2 │ └── ranked_amine_3_m817_9.mol2 ├── amine_3_m877 │ ├── amine_3_m877.rnk │ ├── gold_amine_3_m877.log │ ├── gold_amine_3_m877.mol2 │ ├── gold_soln_amine_3_m877_1.mol2 │ ├── gold_soln_amine_3_m877_10.mol2 │ ├── gold_soln_amine_3_m877_11.mol2 │ ├── gold_soln_amine_3_m877_12.mol2 │ ├── gold_soln_amine_3_m877_13.mol2 │ ├── gold_soln_amine_3_m877_14.mol2 │ ├── gold_soln_amine_3_m877_15.mol2 │ ├── gold_soln_amine_3_m877_16.mol2 │ ├── gold_soln_amine_3_m877_17.mol2 │ ├── gold_soln_amine_3_m877_18.mol2 │ ├── gold_soln_amine_3_m877_19.mol2 │ ├── gold_soln_amine_3_m877_2.mol2 │ ├── gold_soln_amine_3_m877_20.mol2 │ ├── gold_soln_amine_3_m877_3.mol2 │ ├── gold_soln_amine_3_m877_4.mol2 │ ├── gold_soln_amine_3_m877_5.mol2 │ ├── gold_soln_amine_3_m877_6.mol2 │ ├── gold_soln_amine_3_m877_7.mol2 │ ├── gold_soln_amine_3_m877_8.mol2 │ ├── gold_soln_amine_3_m877_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m877_1.mol2 │ ├── ranked_amine_3_m877_10.mol2 │ ├── ranked_amine_3_m877_11.mol2 │ ├── ranked_amine_3_m877_12.mol2 │ ├── ranked_amine_3_m877_13.mol2 │ ├── ranked_amine_3_m877_14.mol2 │ ├── ranked_amine_3_m877_15.mol2 │ ├── ranked_amine_3_m877_16.mol2 │ ├── ranked_amine_3_m877_17.mol2 │ ├── ranked_amine_3_m877_18.mol2 │ ├── ranked_amine_3_m877_19.mol2 │ ├── ranked_amine_3_m877_2.mol2 │ ├── ranked_amine_3_m877_20.mol2 │ ├── ranked_amine_3_m877_3.mol2 │ ├── ranked_amine_3_m877_4.mol2 │ ├── ranked_amine_3_m877_5.mol2 │ ├── ranked_amine_3_m877_6.mol2 │ ├── ranked_amine_3_m877_7.mol2 │ ├── ranked_amine_3_m877_8.mol2 │ └── ranked_amine_3_m877_9.mol2 ├── amine_3_m937 │ ├── amine_3_m937.rnk │ ├── gold_amine_3_m937.log │ ├── gold_amine_3_m937.mol2 │ ├── gold_soln_amine_3_m937_1.mol2 │ ├── gold_soln_amine_3_m937_10.mol2 │ ├── gold_soln_amine_3_m937_11.mol2 │ ├── gold_soln_amine_3_m937_12.mol2 │ ├── gold_soln_amine_3_m937_13.mol2 │ ├── gold_soln_amine_3_m937_14.mol2 │ ├── gold_soln_amine_3_m937_15.mol2 │ ├── gold_soln_amine_3_m937_16.mol2 │ ├── gold_soln_amine_3_m937_17.mol2 │ ├── gold_soln_amine_3_m937_18.mol2 │ ├── gold_soln_amine_3_m937_19.mol2 │ ├── gold_soln_amine_3_m937_2.mol2 │ ├── gold_soln_amine_3_m937_20.mol2 │ ├── gold_soln_amine_3_m937_3.mol2 │ ├── gold_soln_amine_3_m937_4.mol2 │ ├── gold_soln_amine_3_m937_5.mol2 │ ├── gold_soln_amine_3_m937_6.mol2 │ ├── gold_soln_amine_3_m937_7.mol2 │ ├── gold_soln_amine_3_m937_8.mol2 │ ├── gold_soln_amine_3_m937_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m937_1.mol2 │ ├── ranked_amine_3_m937_10.mol2 │ ├── ranked_amine_3_m937_11.mol2 │ ├── ranked_amine_3_m937_12.mol2 │ ├── ranked_amine_3_m937_13.mol2 │ ├── ranked_amine_3_m937_14.mol2 │ ├── ranked_amine_3_m937_15.mol2 │ ├── ranked_amine_3_m937_16.mol2 │ ├── ranked_amine_3_m937_17.mol2 │ ├── ranked_amine_3_m937_18.mol2 │ ├── ranked_amine_3_m937_19.mol2 │ ├── ranked_amine_3_m937_2.mol2 │ ├── ranked_amine_3_m937_20.mol2 │ ├── ranked_amine_3_m937_3.mol2 │ ├── ranked_amine_3_m937_4.mol2 │ ├── ranked_amine_3_m937_5.mol2 │ ├── ranked_amine_3_m937_6.mol2 │ ├── ranked_amine_3_m937_7.mol2 │ ├── ranked_amine_3_m937_8.mol2 │ └── ranked_amine_3_m937_9.mol2 ├── amine_3_m975 │ ├── amine_3_m975.rnk │ ├── gold_amine_3_m975.log │ ├── gold_amine_3_m975.mol2 │ ├── gold_soln_amine_3_m975_1.mol2 │ ├── gold_soln_amine_3_m975_10.mol2 │ ├── gold_soln_amine_3_m975_11.mol2 │ ├── gold_soln_amine_3_m975_12.mol2 │ ├── gold_soln_amine_3_m975_13.mol2 │ ├── gold_soln_amine_3_m975_14.mol2 │ ├── gold_soln_amine_3_m975_15.mol2 │ ├── gold_soln_amine_3_m975_16.mol2 │ ├── gold_soln_amine_3_m975_17.mol2 │ ├── gold_soln_amine_3_m975_18.mol2 │ ├── gold_soln_amine_3_m975_19.mol2 │ ├── gold_soln_amine_3_m975_2.mol2 │ ├── gold_soln_amine_3_m975_20.mol2 │ ├── gold_soln_amine_3_m975_3.mol2 │ ├── gold_soln_amine_3_m975_4.mol2 │ ├── gold_soln_amine_3_m975_5.mol2 │ ├── gold_soln_amine_3_m975_6.mol2 │ ├── gold_soln_amine_3_m975_7.mol2 │ ├── gold_soln_amine_3_m975_8.mol2 │ ├── gold_soln_amine_3_m975_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m975_1.mol2 │ ├── ranked_amine_3_m975_10.mol2 │ ├── ranked_amine_3_m975_11.mol2 │ ├── ranked_amine_3_m975_12.mol2 │ ├── ranked_amine_3_m975_13.mol2 │ ├── ranked_amine_3_m975_14.mol2 │ ├── ranked_amine_3_m975_15.mol2 │ ├── ranked_amine_3_m975_16.mol2 │ ├── ranked_amine_3_m975_17.mol2 │ ├── ranked_amine_3_m975_18.mol2 │ ├── ranked_amine_3_m975_19.mol2 │ ├── ranked_amine_3_m975_2.mol2 │ ├── ranked_amine_3_m975_20.mol2 │ ├── ranked_amine_3_m975_3.mol2 │ ├── ranked_amine_3_m975_4.mol2 │ ├── ranked_amine_3_m975_5.mol2 │ ├── ranked_amine_3_m975_6.mol2 │ ├── ranked_amine_3_m975_7.mol2 │ ├── ranked_amine_3_m975_8.mol2 │ └── ranked_amine_3_m975_9.mol2 ├── amine_4_m10279 │ ├── amine_4_m10279.rnk │ ├── gold_amine_4_m10279.log │ ├── gold_amine_4_m10279.mol2 │ ├── gold_soln_amine_4_m10279_1.mol2 │ ├── gold_soln_amine_4_m10279_10.mol2 │ ├── gold_soln_amine_4_m10279_11.mol2 │ ├── gold_soln_amine_4_m10279_12.mol2 │ ├── gold_soln_amine_4_m10279_13.mol2 │ ├── gold_soln_amine_4_m10279_14.mol2 │ ├── gold_soln_amine_4_m10279_15.mol2 │ ├── gold_soln_amine_4_m10279_16.mol2 │ ├── gold_soln_amine_4_m10279_17.mol2 │ ├── gold_soln_amine_4_m10279_18.mol2 │ ├── gold_soln_amine_4_m10279_19.mol2 │ ├── gold_soln_amine_4_m10279_2.mol2 │ ├── gold_soln_amine_4_m10279_20.mol2 │ ├── gold_soln_amine_4_m10279_3.mol2 │ ├── gold_soln_amine_4_m10279_4.mol2 │ ├── gold_soln_amine_4_m10279_5.mol2 │ ├── gold_soln_amine_4_m10279_6.mol2 │ ├── gold_soln_amine_4_m10279_7.mol2 │ ├── gold_soln_amine_4_m10279_8.mol2 │ ├── gold_soln_amine_4_m10279_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_4_m10279_1.mol2 │ ├── ranked_amine_4_m10279_10.mol2 │ ├── ranked_amine_4_m10279_11.mol2 │ ├── ranked_amine_4_m10279_12.mol2 │ ├── ranked_amine_4_m10279_13.mol2 │ ├── ranked_amine_4_m10279_14.mol2 │ ├── ranked_amine_4_m10279_15.mol2 │ ├── ranked_amine_4_m10279_16.mol2 │ ├── ranked_amine_4_m10279_17.mol2 │ ├── ranked_amine_4_m10279_18.mol2 │ ├── ranked_amine_4_m10279_19.mol2 │ ├── ranked_amine_4_m10279_2.mol2 │ ├── ranked_amine_4_m10279_20.mol2 │ ├── ranked_amine_4_m10279_3.mol2 │ ├── ranked_amine_4_m10279_4.mol2 │ ├── ranked_amine_4_m10279_5.mol2 │ ├── ranked_amine_4_m10279_6.mol2 │ ├── ranked_amine_4_m10279_7.mol2 │ ├── ranked_amine_4_m10279_8.mol2 │ └── ranked_amine_4_m10279_9.mol2 ├── amine_4_m10283 │ ├── amine_4_m10283.rnk │ ├── gold_amine_4_m10283.log │ ├── gold_amine_4_m10283.mol2 │ ├── gold_soln_amine_4_m10283_1.mol2 │ ├── gold_soln_amine_4_m10283_10.mol2 │ ├── gold_soln_amine_4_m10283_11.mol2 │ ├── gold_soln_amine_4_m10283_12.mol2 │ ├── gold_soln_amine_4_m10283_13.mol2 │ ├── gold_soln_amine_4_m10283_14.mol2 │ ├── gold_soln_amine_4_m10283_15.mol2 │ ├── gold_soln_amine_4_m10283_16.mol2 │ ├── gold_soln_amine_4_m10283_17.mol2 │ ├── gold_soln_amine_4_m10283_18.mol2 │ ├── gold_soln_amine_4_m10283_19.mol2 │ ├── gold_soln_amine_4_m10283_2.mol2 │ ├── gold_soln_amine_4_m10283_20.mol2 │ ├── gold_soln_amine_4_m10283_3.mol2 │ ├── gold_soln_amine_4_m10283_4.mol2 │ ├── gold_soln_amine_4_m10283_5.mol2 │ ├── gold_soln_amine_4_m10283_6.mol2 │ ├── gold_soln_amine_4_m10283_7.mol2 │ ├── gold_soln_amine_4_m10283_8.mol2 │ ├── gold_soln_amine_4_m10283_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_4_m10283_1.mol2 │ ├── ranked_amine_4_m10283_10.mol2 │ ├── ranked_amine_4_m10283_11.mol2 │ ├── ranked_amine_4_m10283_12.mol2 │ ├── ranked_amine_4_m10283_13.mol2 │ ├── ranked_amine_4_m10283_14.mol2 │ ├── ranked_amine_4_m10283_15.mol2 │ ├── ranked_amine_4_m10283_16.mol2 │ ├── ranked_amine_4_m10283_17.mol2 │ ├── ranked_amine_4_m10283_18.mol2 │ ├── ranked_amine_4_m10283_19.mol2 │ ├── ranked_amine_4_m10283_2.mol2 │ ├── ranked_amine_4_m10283_20.mol2 │ ├── ranked_amine_4_m10283_3.mol2 │ ├── ranked_amine_4_m10283_4.mol2 │ ├── ranked_amine_4_m10283_5.mol2 │ ├── ranked_amine_4_m10283_6.mol2 │ ├── ranked_amine_4_m10283_7.mol2 │ ├── ranked_amine_4_m10283_8.mol2 │ └── ranked_amine_4_m10283_9.mol2 ├── amine_4_m5079 │ ├── amine_4_m5079.rnk │ ├── gold_amine_4_m5079.log │ ├── gold_amine_4_m5079.mol2 │ ├── gold_soln_amine_4_m5079_1.mol2 │ ├── gold_soln_amine_4_m5079_10.mol2 │ ├── gold_soln_amine_4_m5079_11.mol2 │ ├── gold_soln_amine_4_m5079_12.mol2 │ ├── gold_soln_amine_4_m5079_13.mol2 │ ├── gold_soln_amine_4_m5079_14.mol2 │ ├── gold_soln_amine_4_m5079_15.mol2 │ ├── gold_soln_amine_4_m5079_16.mol2 │ ├── gold_soln_amine_4_m5079_17.mol2 │ ├── gold_soln_amine_4_m5079_18.mol2 │ ├── gold_soln_amine_4_m5079_19.mol2 │ ├── gold_soln_amine_4_m5079_2.mol2 │ ├── gold_soln_amine_4_m5079_20.mol2 │ ├── gold_soln_amine_4_m5079_3.mol2 │ ├── gold_soln_amine_4_m5079_4.mol2 │ ├── gold_soln_amine_4_m5079_5.mol2 │ ├── gold_soln_amine_4_m5079_6.mol2 │ ├── gold_soln_amine_4_m5079_7.mol2 │ ├── gold_soln_amine_4_m5079_8.mol2 │ ├── gold_soln_amine_4_m5079_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_4_m5079_1.mol2 │ ├── ranked_amine_4_m5079_10.mol2 │ ├── ranked_amine_4_m5079_11.mol2 │ ├── ranked_amine_4_m5079_12.mol2 │ ├── ranked_amine_4_m5079_13.mol2 │ ├── ranked_amine_4_m5079_14.mol2 │ ├── ranked_amine_4_m5079_15.mol2 │ ├── ranked_amine_4_m5079_16.mol2 │ ├── ranked_amine_4_m5079_17.mol2 │ ├── ranked_amine_4_m5079_18.mol2 │ ├── ranked_amine_4_m5079_19.mol2 │ ├── ranked_amine_4_m5079_2.mol2 │ ├── ranked_amine_4_m5079_20.mol2 │ ├── ranked_amine_4_m5079_3.mol2 │ ├── ranked_amine_4_m5079_4.mol2 │ ├── ranked_amine_4_m5079_5.mol2 │ ├── ranked_amine_4_m5079_6.mol2 │ ├── ranked_amine_4_m5079_7.mol2 │ ├── ranked_amine_4_m5079_8.mol2 │ └── ranked_amine_4_m5079_9.mol2 ├── amine_4_m5092 │ ├── amine_4_m5092.rnk │ ├── gold_amine_4_m5092.log │ ├── gold_amine_4_m5092.mol2 │ ├── gold_soln_amine_4_m5092_1.mol2 │ ├── gold_soln_amine_4_m5092_10.mol2 │ ├── gold_soln_amine_4_m5092_11.mol2 │ ├── gold_soln_amine_4_m5092_12.mol2 │ ├── gold_soln_amine_4_m5092_13.mol2 │ ├── gold_soln_amine_4_m5092_14.mol2 │ ├── gold_soln_amine_4_m5092_15.mol2 │ ├── gold_soln_amine_4_m5092_16.mol2 │ ├── gold_soln_amine_4_m5092_17.mol2 │ ├── gold_soln_amine_4_m5092_18.mol2 │ ├── gold_soln_amine_4_m5092_19.mol2 │ ├── gold_soln_amine_4_m5092_2.mol2 │ ├── gold_soln_amine_4_m5092_20.mol2 │ ├── gold_soln_amine_4_m5092_3.mol2 │ ├── gold_soln_amine_4_m5092_4.mol2 │ ├── gold_soln_amine_4_m5092_5.mol2 │ ├── gold_soln_amine_4_m5092_6.mol2 │ ├── gold_soln_amine_4_m5092_7.mol2 │ ├── gold_soln_amine_4_m5092_8.mol2 │ ├── gold_soln_amine_4_m5092_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_4_m5092_1.mol2 │ ├── ranked_amine_4_m5092_10.mol2 │ ├── ranked_amine_4_m5092_11.mol2 │ ├── ranked_amine_4_m5092_12.mol2 │ ├── ranked_amine_4_m5092_13.mol2 │ ├── ranked_amine_4_m5092_14.mol2 │ ├── ranked_amine_4_m5092_15.mol2 │ ├── ranked_amine_4_m5092_16.mol2 │ ├── ranked_amine_4_m5092_17.mol2 │ ├── ranked_amine_4_m5092_18.mol2 │ ├── ranked_amine_4_m5092_19.mol2 │ ├── ranked_amine_4_m5092_2.mol2 │ ├── ranked_amine_4_m5092_20.mol2 │ ├── ranked_amine_4_m5092_3.mol2 │ ├── ranked_amine_4_m5092_4.mol2 │ ├── ranked_amine_4_m5092_5.mol2 │ ├── ranked_amine_4_m5092_6.mol2 │ ├── ranked_amine_4_m5092_7.mol2 │ ├── ranked_amine_4_m5092_8.mol2 │ └── ranked_amine_4_m5092_9.mol2 ├── amine_4_m5100 │ ├── amine_4_m5100.rnk │ ├── gold_amine_4_m5100.log │ ├── gold_amine_4_m5100.mol2 │ ├── gold_soln_amine_4_m5100_1.mol2 │ ├── gold_soln_amine_4_m5100_10.mol2 │ ├── gold_soln_amine_4_m5100_11.mol2 │ ├── gold_soln_amine_4_m5100_12.mol2 │ ├── gold_soln_amine_4_m5100_13.mol2 │ ├── gold_soln_amine_4_m5100_14.mol2 │ ├── gold_soln_amine_4_m5100_15.mol2 │ ├── gold_soln_amine_4_m5100_16.mol2 │ ├── gold_soln_amine_4_m5100_17.mol2 │ ├── gold_soln_amine_4_m5100_18.mol2 │ ├── gold_soln_amine_4_m5100_19.mol2 │ ├── gold_soln_amine_4_m5100_2.mol2 │ ├── gold_soln_amine_4_m5100_20.mol2 │ ├── gold_soln_amine_4_m5100_3.mol2 │ ├── gold_soln_amine_4_m5100_4.mol2 │ ├── gold_soln_amine_4_m5100_5.mol2 │ ├── gold_soln_amine_4_m5100_6.mol2 │ ├── gold_soln_amine_4_m5100_7.mol2 │ ├── gold_soln_amine_4_m5100_8.mol2 │ ├── gold_soln_amine_4_m5100_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_4_m5100_1.mol2 │ ├── ranked_amine_4_m5100_10.mol2 │ ├── ranked_amine_4_m5100_11.mol2 │ ├── ranked_amine_4_m5100_12.mol2 │ ├── ranked_amine_4_m5100_13.mol2 │ ├── ranked_amine_4_m5100_14.mol2 │ ├── ranked_amine_4_m5100_15.mol2 │ ├── ranked_amine_4_m5100_16.mol2 │ ├── ranked_amine_4_m5100_17.mol2 │ ├── ranked_amine_4_m5100_18.mol2 │ ├── ranked_amine_4_m5100_19.mol2 │ ├── ranked_amine_4_m5100_2.mol2 │ ├── ranked_amine_4_m5100_20.mol2 │ ├── ranked_amine_4_m5100_3.mol2 │ ├── ranked_amine_4_m5100_4.mol2 │ ├── ranked_amine_4_m5100_5.mol2 │ ├── ranked_amine_4_m5100_6.mol2 │ ├── ranked_amine_4_m5100_7.mol2 │ ├── ranked_amine_4_m5100_8.mol2 │ └── ranked_amine_4_m5100_9.mol2 ├── amine_7_m10216 │ ├── amine_7_m10216.rnk │ ├── gold_amine_7_m10216.log │ ├── gold_amine_7_m10216.mol2 │ ├── gold_soln_amine_7_m10216_1.mol2 │ ├── gold_soln_amine_7_m10216_10.mol2 │ ├── gold_soln_amine_7_m10216_11.mol2 │ ├── gold_soln_amine_7_m10216_12.mol2 │ ├── gold_soln_amine_7_m10216_13.mol2 │ ├── gold_soln_amine_7_m10216_14.mol2 │ ├── gold_soln_amine_7_m10216_15.mol2 │ ├── gold_soln_amine_7_m10216_16.mol2 │ ├── gold_soln_amine_7_m10216_17.mol2 │ ├── gold_soln_amine_7_m10216_18.mol2 │ ├── gold_soln_amine_7_m10216_19.mol2 │ ├── gold_soln_amine_7_m10216_2.mol2 │ ├── gold_soln_amine_7_m10216_20.mol2 │ ├── gold_soln_amine_7_m10216_3.mol2 │ ├── gold_soln_amine_7_m10216_4.mol2 │ ├── gold_soln_amine_7_m10216_5.mol2 │ ├── gold_soln_amine_7_m10216_6.mol2 │ ├── gold_soln_amine_7_m10216_7.mol2 │ ├── gold_soln_amine_7_m10216_8.mol2 │ ├── gold_soln_amine_7_m10216_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m10216_1.mol2 │ ├── ranked_amine_7_m10216_10.mol2 │ ├── ranked_amine_7_m10216_11.mol2 │ ├── ranked_amine_7_m10216_12.mol2 │ ├── ranked_amine_7_m10216_13.mol2 │ ├── ranked_amine_7_m10216_14.mol2 │ ├── ranked_amine_7_m10216_15.mol2 │ ├── ranked_amine_7_m10216_16.mol2 │ ├── ranked_amine_7_m10216_17.mol2 │ ├── ranked_amine_7_m10216_18.mol2 │ ├── ranked_amine_7_m10216_19.mol2 │ ├── ranked_amine_7_m10216_2.mol2 │ ├── ranked_amine_7_m10216_20.mol2 │ ├── ranked_amine_7_m10216_3.mol2 │ ├── ranked_amine_7_m10216_4.mol2 │ ├── ranked_amine_7_m10216_5.mol2 │ ├── ranked_amine_7_m10216_6.mol2 │ ├── ranked_amine_7_m10216_7.mol2 │ ├── ranked_amine_7_m10216_8.mol2 │ └── ranked_amine_7_m10216_9.mol2 ├── amine_7_m10229 │ ├── amine_7_m10229.rnk │ ├── gold_amine_7_m10229.log │ ├── gold_amine_7_m10229.mol2 │ ├── gold_soln_amine_7_m10229_1.mol2 │ ├── gold_soln_amine_7_m10229_10.mol2 │ ├── gold_soln_amine_7_m10229_11.mol2 │ ├── gold_soln_amine_7_m10229_12.mol2 │ ├── gold_soln_amine_7_m10229_13.mol2 │ ├── gold_soln_amine_7_m10229_14.mol2 │ ├── gold_soln_amine_7_m10229_15.mol2 │ ├── gold_soln_amine_7_m10229_16.mol2 │ ├── gold_soln_amine_7_m10229_17.mol2 │ ├── gold_soln_amine_7_m10229_18.mol2 │ ├── gold_soln_amine_7_m10229_19.mol2 │ ├── gold_soln_amine_7_m10229_2.mol2 │ ├── gold_soln_amine_7_m10229_20.mol2 │ ├── gold_soln_amine_7_m10229_3.mol2 │ ├── gold_soln_amine_7_m10229_4.mol2 │ ├── gold_soln_amine_7_m10229_5.mol2 │ ├── gold_soln_amine_7_m10229_6.mol2 │ ├── gold_soln_amine_7_m10229_7.mol2 │ ├── gold_soln_amine_7_m10229_8.mol2 │ ├── gold_soln_amine_7_m10229_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m10229_1.mol2 │ ├── ranked_amine_7_m10229_10.mol2 │ ├── ranked_amine_7_m10229_11.mol2 │ ├── ranked_amine_7_m10229_12.mol2 │ ├── ranked_amine_7_m10229_13.mol2 │ ├── ranked_amine_7_m10229_14.mol2 │ ├── ranked_amine_7_m10229_15.mol2 │ ├── ranked_amine_7_m10229_16.mol2 │ ├── ranked_amine_7_m10229_17.mol2 │ ├── ranked_amine_7_m10229_18.mol2 │ ├── ranked_amine_7_m10229_19.mol2 │ ├── ranked_amine_7_m10229_2.mol2 │ ├── ranked_amine_7_m10229_20.mol2 │ ├── ranked_amine_7_m10229_3.mol2 │ ├── ranked_amine_7_m10229_4.mol2 │ ├── ranked_amine_7_m10229_5.mol2 │ ├── ranked_amine_7_m10229_6.mol2 │ ├── ranked_amine_7_m10229_7.mol2 │ ├── ranked_amine_7_m10229_8.mol2 │ └── ranked_amine_7_m10229_9.mol2 ├── amine_7_m2142 │ ├── amine_7_m2142.rnk │ ├── gold_amine_7_m2142.log │ ├── gold_amine_7_m2142.mol2 │ ├── gold_soln_amine_7_m2142_1.mol2 │ ├── gold_soln_amine_7_m2142_10.mol2 │ ├── gold_soln_amine_7_m2142_11.mol2 │ ├── gold_soln_amine_7_m2142_12.mol2 │ ├── gold_soln_amine_7_m2142_13.mol2 │ ├── gold_soln_amine_7_m2142_14.mol2 │ ├── gold_soln_amine_7_m2142_15.mol2 │ ├── gold_soln_amine_7_m2142_16.mol2 │ ├── gold_soln_amine_7_m2142_17.mol2 │ ├── gold_soln_amine_7_m2142_18.mol2 │ ├── gold_soln_amine_7_m2142_19.mol2 │ ├── gold_soln_amine_7_m2142_2.mol2 │ ├── gold_soln_amine_7_m2142_20.mol2 │ ├── gold_soln_amine_7_m2142_3.mol2 │ ├── gold_soln_amine_7_m2142_4.mol2 │ ├── gold_soln_amine_7_m2142_5.mol2 │ ├── gold_soln_amine_7_m2142_6.mol2 │ ├── gold_soln_amine_7_m2142_7.mol2 │ ├── gold_soln_amine_7_m2142_8.mol2 │ ├── gold_soln_amine_7_m2142_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m2142_1.mol2 │ ├── ranked_amine_7_m2142_10.mol2 │ ├── ranked_amine_7_m2142_11.mol2 │ ├── ranked_amine_7_m2142_12.mol2 │ ├── ranked_amine_7_m2142_13.mol2 │ ├── ranked_amine_7_m2142_14.mol2 │ ├── ranked_amine_7_m2142_15.mol2 │ ├── ranked_amine_7_m2142_16.mol2 │ ├── ranked_amine_7_m2142_17.mol2 │ ├── ranked_amine_7_m2142_18.mol2 │ ├── ranked_amine_7_m2142_19.mol2 │ ├── ranked_amine_7_m2142_2.mol2 │ ├── ranked_amine_7_m2142_20.mol2 │ ├── ranked_amine_7_m2142_3.mol2 │ ├── ranked_amine_7_m2142_4.mol2 │ ├── ranked_amine_7_m2142_5.mol2 │ ├── ranked_amine_7_m2142_6.mol2 │ ├── ranked_amine_7_m2142_7.mol2 │ ├── ranked_amine_7_m2142_8.mol2 │ └── ranked_amine_7_m2142_9.mol2 ├── amine_7_m3004 │ ├── amine_7_m3004.rnk │ ├── gold_amine_7_m3004.log │ ├── gold_amine_7_m3004.mol2 │ ├── gold_soln_amine_7_m3004_1.mol2 │ ├── gold_soln_amine_7_m3004_10.mol2 │ ├── gold_soln_amine_7_m3004_11.mol2 │ ├── gold_soln_amine_7_m3004_12.mol2 │ ├── gold_soln_amine_7_m3004_13.mol2 │ ├── gold_soln_amine_7_m3004_14.mol2 │ ├── gold_soln_amine_7_m3004_15.mol2 │ ├── gold_soln_amine_7_m3004_16.mol2 │ ├── gold_soln_amine_7_m3004_17.mol2 │ ├── gold_soln_amine_7_m3004_18.mol2 │ ├── gold_soln_amine_7_m3004_19.mol2 │ ├── gold_soln_amine_7_m3004_2.mol2 │ ├── gold_soln_amine_7_m3004_20.mol2 │ ├── gold_soln_amine_7_m3004_3.mol2 │ ├── gold_soln_amine_7_m3004_4.mol2 │ ├── gold_soln_amine_7_m3004_5.mol2 │ ├── gold_soln_amine_7_m3004_6.mol2 │ ├── gold_soln_amine_7_m3004_7.mol2 │ ├── gold_soln_amine_7_m3004_8.mol2 │ ├── gold_soln_amine_7_m3004_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m3004_1.mol2 │ ├── ranked_amine_7_m3004_10.mol2 │ ├── ranked_amine_7_m3004_11.mol2 │ ├── ranked_amine_7_m3004_12.mol2 │ ├── ranked_amine_7_m3004_13.mol2 │ ├── ranked_amine_7_m3004_14.mol2 │ ├── ranked_amine_7_m3004_15.mol2 │ ├── ranked_amine_7_m3004_16.mol2 │ ├── ranked_amine_7_m3004_17.mol2 │ ├── ranked_amine_7_m3004_18.mol2 │ ├── ranked_amine_7_m3004_19.mol2 │ ├── ranked_amine_7_m3004_2.mol2 │ ├── ranked_amine_7_m3004_20.mol2 │ ├── ranked_amine_7_m3004_3.mol2 │ ├── ranked_amine_7_m3004_4.mol2 │ ├── ranked_amine_7_m3004_5.mol2 │ ├── ranked_amine_7_m3004_6.mol2 │ ├── ranked_amine_7_m3004_7.mol2 │ ├── ranked_amine_7_m3004_8.mol2 │ └── ranked_amine_7_m3004_9.mol2 ├── amine_7_m4345 │ ├── amine_7_m4345.rnk │ ├── gold_amine_7_m4345.log │ ├── gold_amine_7_m4345.mol2 │ ├── gold_soln_amine_7_m4345_1.mol2 │ ├── gold_soln_amine_7_m4345_10.mol2 │ ├── gold_soln_amine_7_m4345_11.mol2 │ ├── gold_soln_amine_7_m4345_12.mol2 │ ├── gold_soln_amine_7_m4345_13.mol2 │ ├── gold_soln_amine_7_m4345_14.mol2 │ ├── gold_soln_amine_7_m4345_15.mol2 │ ├── gold_soln_amine_7_m4345_16.mol2 │ ├── gold_soln_amine_7_m4345_17.mol2 │ ├── gold_soln_amine_7_m4345_18.mol2 │ ├── gold_soln_amine_7_m4345_19.mol2 │ ├── gold_soln_amine_7_m4345_2.mol2 │ ├── gold_soln_amine_7_m4345_20.mol2 │ ├── gold_soln_amine_7_m4345_3.mol2 │ ├── gold_soln_amine_7_m4345_4.mol2 │ ├── gold_soln_amine_7_m4345_5.mol2 │ ├── gold_soln_amine_7_m4345_6.mol2 │ ├── gold_soln_amine_7_m4345_7.mol2 │ ├── gold_soln_amine_7_m4345_8.mol2 │ ├── gold_soln_amine_7_m4345_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m4345_1.mol2 │ ├── ranked_amine_7_m4345_10.mol2 │ ├── ranked_amine_7_m4345_11.mol2 │ ├── ranked_amine_7_m4345_12.mol2 │ ├── ranked_amine_7_m4345_13.mol2 │ ├── ranked_amine_7_m4345_14.mol2 │ ├── ranked_amine_7_m4345_15.mol2 │ ├── ranked_amine_7_m4345_16.mol2 │ ├── ranked_amine_7_m4345_17.mol2 │ ├── ranked_amine_7_m4345_18.mol2 │ ├── ranked_amine_7_m4345_19.mol2 │ ├── ranked_amine_7_m4345_2.mol2 │ ├── ranked_amine_7_m4345_20.mol2 │ ├── ranked_amine_7_m4345_3.mol2 │ ├── ranked_amine_7_m4345_4.mol2 │ ├── ranked_amine_7_m4345_5.mol2 │ ├── ranked_amine_7_m4345_6.mol2 │ ├── ranked_amine_7_m4345_7.mol2 │ ├── ranked_amine_7_m4345_8.mol2 │ └── ranked_amine_7_m4345_9.mol2 ├── amine_7_m4351 │ ├── amine_7_m4351.rnk │ ├── gold_amine_7_m4351.log │ ├── gold_amine_7_m4351.mol2 │ ├── gold_soln_amine_7_m4351_1.mol2 │ ├── gold_soln_amine_7_m4351_10.mol2 │ ├── gold_soln_amine_7_m4351_11.mol2 │ ├── gold_soln_amine_7_m4351_12.mol2 │ ├── gold_soln_amine_7_m4351_13.mol2 │ ├── gold_soln_amine_7_m4351_14.mol2 │ ├── gold_soln_amine_7_m4351_15.mol2 │ ├── gold_soln_amine_7_m4351_16.mol2 │ ├── gold_soln_amine_7_m4351_17.mol2 │ ├── gold_soln_amine_7_m4351_18.mol2 │ ├── gold_soln_amine_7_m4351_19.mol2 │ ├── gold_soln_amine_7_m4351_2.mol2 │ ├── gold_soln_amine_7_m4351_20.mol2 │ ├── gold_soln_amine_7_m4351_3.mol2 │ ├── gold_soln_amine_7_m4351_4.mol2 │ ├── gold_soln_amine_7_m4351_5.mol2 │ ├── gold_soln_amine_7_m4351_6.mol2 │ ├── gold_soln_amine_7_m4351_7.mol2 │ ├── gold_soln_amine_7_m4351_8.mol2 │ ├── gold_soln_amine_7_m4351_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m4351_1.mol2 │ ├── ranked_amine_7_m4351_10.mol2 │ ├── ranked_amine_7_m4351_11.mol2 │ ├── ranked_amine_7_m4351_12.mol2 │ ├── ranked_amine_7_m4351_13.mol2 │ ├── ranked_amine_7_m4351_14.mol2 │ ├── ranked_amine_7_m4351_15.mol2 │ ├── ranked_amine_7_m4351_16.mol2 │ ├── ranked_amine_7_m4351_17.mol2 │ ├── ranked_amine_7_m4351_18.mol2 │ ├── ranked_amine_7_m4351_19.mol2 │ ├── ranked_amine_7_m4351_2.mol2 │ ├── ranked_amine_7_m4351_20.mol2 │ ├── ranked_amine_7_m4351_3.mol2 │ ├── ranked_amine_7_m4351_4.mol2 │ ├── ranked_amine_7_m4351_5.mol2 │ ├── ranked_amine_7_m4351_6.mol2 │ ├── ranked_amine_7_m4351_7.mol2 │ ├── ranked_amine_7_m4351_8.mol2 │ └── ranked_amine_7_m4351_9.mol2 ├── amine_7_m4380 │ ├── amine_7_m4380.rnk │ ├── gold_amine_7_m4380.log │ ├── gold_amine_7_m4380.mol2 │ ├── gold_soln_amine_7_m4380_1.mol2 │ ├── gold_soln_amine_7_m4380_10.mol2 │ ├── gold_soln_amine_7_m4380_11.mol2 │ ├── gold_soln_amine_7_m4380_12.mol2 │ ├── gold_soln_amine_7_m4380_13.mol2 │ ├── gold_soln_amine_7_m4380_14.mol2 │ ├── gold_soln_amine_7_m4380_15.mol2 │ ├── gold_soln_amine_7_m4380_16.mol2 │ ├── gold_soln_amine_7_m4380_17.mol2 │ ├── gold_soln_amine_7_m4380_18.mol2 │ ├── gold_soln_amine_7_m4380_19.mol2 │ ├── gold_soln_amine_7_m4380_2.mol2 │ ├── gold_soln_amine_7_m4380_20.mol2 │ ├── gold_soln_amine_7_m4380_3.mol2 │ ├── gold_soln_amine_7_m4380_4.mol2 │ ├── gold_soln_amine_7_m4380_5.mol2 │ ├── gold_soln_amine_7_m4380_6.mol2 │ ├── gold_soln_amine_7_m4380_7.mol2 │ ├── gold_soln_amine_7_m4380_8.mol2 │ ├── gold_soln_amine_7_m4380_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m4380_1.mol2 │ ├── ranked_amine_7_m4380_10.mol2 │ ├── ranked_amine_7_m4380_11.mol2 │ ├── ranked_amine_7_m4380_12.mol2 │ ├── ranked_amine_7_m4380_13.mol2 │ ├── ranked_amine_7_m4380_14.mol2 │ ├── ranked_amine_7_m4380_15.mol2 │ ├── ranked_amine_7_m4380_16.mol2 │ ├── ranked_amine_7_m4380_17.mol2 │ ├── ranked_amine_7_m4380_18.mol2 │ ├── ranked_amine_7_m4380_19.mol2 │ ├── ranked_amine_7_m4380_2.mol2 │ ├── ranked_amine_7_m4380_20.mol2 │ ├── ranked_amine_7_m4380_3.mol2 │ ├── ranked_amine_7_m4380_4.mol2 │ ├── ranked_amine_7_m4380_5.mol2 │ ├── ranked_amine_7_m4380_6.mol2 │ ├── ranked_amine_7_m4380_7.mol2 │ ├── ranked_amine_7_m4380_8.mol2 │ └── ranked_amine_7_m4380_9.mol2 ├── amine_7_m6375 │ ├── amine_7_m6375.rnk │ ├── gold_amine_7_m6375.log │ ├── gold_amine_7_m6375.mol2 │ ├── gold_soln_amine_7_m6375_1.mol2 │ ├── gold_soln_amine_7_m6375_10.mol2 │ ├── gold_soln_amine_7_m6375_11.mol2 │ ├── gold_soln_amine_7_m6375_12.mol2 │ ├── gold_soln_amine_7_m6375_13.mol2 │ ├── gold_soln_amine_7_m6375_14.mol2 │ ├── gold_soln_amine_7_m6375_15.mol2 │ ├── gold_soln_amine_7_m6375_16.mol2 │ ├── gold_soln_amine_7_m6375_17.mol2 │ ├── gold_soln_amine_7_m6375_18.mol2 │ ├── gold_soln_amine_7_m6375_19.mol2 │ ├── gold_soln_amine_7_m6375_2.mol2 │ ├── gold_soln_amine_7_m6375_20.mol2 │ ├── gold_soln_amine_7_m6375_3.mol2 │ ├── gold_soln_amine_7_m6375_4.mol2 │ ├── gold_soln_amine_7_m6375_5.mol2 │ ├── gold_soln_amine_7_m6375_6.mol2 │ ├── gold_soln_amine_7_m6375_7.mol2 │ ├── gold_soln_amine_7_m6375_8.mol2 │ ├── gold_soln_amine_7_m6375_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m6375_1.mol2 │ ├── ranked_amine_7_m6375_10.mol2 │ ├── ranked_amine_7_m6375_11.mol2 │ ├── ranked_amine_7_m6375_12.mol2 │ ├── ranked_amine_7_m6375_13.mol2 │ ├── ranked_amine_7_m6375_14.mol2 │ ├── ranked_amine_7_m6375_15.mol2 │ ├── ranked_amine_7_m6375_16.mol2 │ ├── ranked_amine_7_m6375_17.mol2 │ ├── ranked_amine_7_m6375_18.mol2 │ ├── ranked_amine_7_m6375_19.mol2 │ ├── ranked_amine_7_m6375_2.mol2 │ ├── ranked_amine_7_m6375_20.mol2 │ ├── ranked_amine_7_m6375_3.mol2 │ ├── ranked_amine_7_m6375_4.mol2 │ ├── ranked_amine_7_m6375_5.mol2 │ ├── ranked_amine_7_m6375_6.mol2 │ ├── ranked_amine_7_m6375_7.mol2 │ ├── ranked_amine_7_m6375_8.mol2 │ └── ranked_amine_7_m6375_9.mol2 ├── amine_7_m6382 │ ├── amine_7_m6382.rnk │ ├── gold_amine_7_m6382.log │ ├── gold_amine_7_m6382.mol2 │ ├── gold_soln_amine_7_m6382_1.mol2 │ ├── gold_soln_amine_7_m6382_10.mol2 │ ├── gold_soln_amine_7_m6382_11.mol2 │ ├── gold_soln_amine_7_m6382_12.mol2 │ ├── gold_soln_amine_7_m6382_13.mol2 │ ├── gold_soln_amine_7_m6382_14.mol2 │ ├── gold_soln_amine_7_m6382_15.mol2 │ ├── gold_soln_amine_7_m6382_16.mol2 │ ├── gold_soln_amine_7_m6382_17.mol2 │ ├── gold_soln_amine_7_m6382_18.mol2 │ ├── gold_soln_amine_7_m6382_19.mol2 │ ├── gold_soln_amine_7_m6382_2.mol2 │ ├── gold_soln_amine_7_m6382_20.mol2 │ ├── gold_soln_amine_7_m6382_3.mol2 │ ├── gold_soln_amine_7_m6382_4.mol2 │ ├── gold_soln_amine_7_m6382_5.mol2 │ ├── gold_soln_amine_7_m6382_6.mol2 │ ├── gold_soln_amine_7_m6382_7.mol2 │ ├── gold_soln_amine_7_m6382_8.mol2 │ ├── gold_soln_amine_7_m6382_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m6382_1.mol2 │ ├── ranked_amine_7_m6382_10.mol2 │ ├── ranked_amine_7_m6382_11.mol2 │ ├── ranked_amine_7_m6382_12.mol2 │ ├── ranked_amine_7_m6382_13.mol2 │ ├── ranked_amine_7_m6382_14.mol2 │ ├── ranked_amine_7_m6382_15.mol2 │ ├── ranked_amine_7_m6382_16.mol2 │ ├── ranked_amine_7_m6382_17.mol2 │ ├── ranked_amine_7_m6382_18.mol2 │ ├── ranked_amine_7_m6382_19.mol2 │ ├── ranked_amine_7_m6382_2.mol2 │ ├── ranked_amine_7_m6382_20.mol2 │ ├── ranked_amine_7_m6382_3.mol2 │ ├── ranked_amine_7_m6382_4.mol2 │ ├── ranked_amine_7_m6382_5.mol2 │ ├── ranked_amine_7_m6382_6.mol2 │ ├── ranked_amine_7_m6382_7.mol2 │ ├── ranked_amine_7_m6382_8.mol2 │ └── ranked_amine_7_m6382_9.mol2 └── amine_7_m6400 │ ├── amine_7_m6400.rnk │ ├── gold_amine_7_m6400.log │ ├── gold_amine_7_m6400.mol2 │ ├── gold_soln_amine_7_m6400_1.mol2 │ ├── gold_soln_amine_7_m6400_10.mol2 │ ├── gold_soln_amine_7_m6400_11.mol2 │ ├── gold_soln_amine_7_m6400_12.mol2 │ ├── gold_soln_amine_7_m6400_13.mol2 │ ├── gold_soln_amine_7_m6400_14.mol2 │ ├── gold_soln_amine_7_m6400_15.mol2 │ ├── gold_soln_amine_7_m6400_16.mol2 │ ├── gold_soln_amine_7_m6400_17.mol2 │ ├── gold_soln_amine_7_m6400_18.mol2 │ ├── gold_soln_amine_7_m6400_19.mol2 │ ├── gold_soln_amine_7_m6400_2.mol2 │ ├── gold_soln_amine_7_m6400_20.mol2 │ ├── gold_soln_amine_7_m6400_3.mol2 │ ├── gold_soln_amine_7_m6400_4.mol2 │ ├── gold_soln_amine_7_m6400_5.mol2 │ ├── gold_soln_amine_7_m6400_6.mol2 │ ├── gold_soln_amine_7_m6400_7.mol2 │ ├── gold_soln_amine_7_m6400_8.mol2 │ ├── gold_soln_amine_7_m6400_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_7_m6400_1.mol2 │ ├── ranked_amine_7_m6400_10.mol2 │ ├── ranked_amine_7_m6400_11.mol2 │ ├── ranked_amine_7_m6400_12.mol2 │ ├── ranked_amine_7_m6400_13.mol2 │ ├── ranked_amine_7_m6400_14.mol2 │ ├── ranked_amine_7_m6400_15.mol2 │ ├── ranked_amine_7_m6400_16.mol2 │ ├── ranked_amine_7_m6400_17.mol2 │ ├── ranked_amine_7_m6400_18.mol2 │ ├── ranked_amine_7_m6400_19.mol2 │ ├── ranked_amine_7_m6400_2.mol2 │ ├── ranked_amine_7_m6400_20.mol2 │ ├── ranked_amine_7_m6400_3.mol2 │ ├── ranked_amine_7_m6400_4.mol2 │ ├── ranked_amine_7_m6400_5.mol2 │ ├── ranked_amine_7_m6400_6.mol2 │ ├── ranked_amine_7_m6400_7.mol2 │ ├── ranked_amine_7_m6400_8.mol2 │ └── ranked_amine_7_m6400_9.mol2 ├── docked_BBs_ERB ├── Sulfonylchlorides_m1046 │ ├── Sulfonylchlorides_m1046.rnk │ ├── gold_Sulfonylchlorides_m1046.log │ ├── gold_Sulfonylchlorides_m1046.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m1046_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m1046_1.mol2 │ ├── ranked_Sulfonylchlorides_m1046_10.mol2 │ ├── ranked_Sulfonylchlorides_m1046_11.mol2 │ ├── ranked_Sulfonylchlorides_m1046_12.mol2 │ ├── ranked_Sulfonylchlorides_m1046_13.mol2 │ ├── ranked_Sulfonylchlorides_m1046_14.mol2 │ ├── ranked_Sulfonylchlorides_m1046_15.mol2 │ ├── ranked_Sulfonylchlorides_m1046_16.mol2 │ ├── ranked_Sulfonylchlorides_m1046_17.mol2 │ ├── ranked_Sulfonylchlorides_m1046_18.mol2 │ ├── ranked_Sulfonylchlorides_m1046_19.mol2 │ ├── ranked_Sulfonylchlorides_m1046_2.mol2 │ ├── ranked_Sulfonylchlorides_m1046_20.mol2 │ ├── ranked_Sulfonylchlorides_m1046_3.mol2 │ ├── ranked_Sulfonylchlorides_m1046_4.mol2 │ ├── ranked_Sulfonylchlorides_m1046_5.mol2 │ ├── ranked_Sulfonylchlorides_m1046_6.mol2 │ ├── ranked_Sulfonylchlorides_m1046_7.mol2 │ ├── ranked_Sulfonylchlorides_m1046_8.mol2 │ └── ranked_Sulfonylchlorides_m1046_9.mol2 ├── Sulfonylchlorides_m1052 │ ├── Sulfonylchlorides_m1052.rnk │ ├── gold_Sulfonylchlorides_m1052.log │ ├── gold_Sulfonylchlorides_m1052.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m1052_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m1052_1.mol2 │ ├── ranked_Sulfonylchlorides_m1052_10.mol2 │ ├── ranked_Sulfonylchlorides_m1052_11.mol2 │ ├── ranked_Sulfonylchlorides_m1052_12.mol2 │ ├── ranked_Sulfonylchlorides_m1052_13.mol2 │ ├── ranked_Sulfonylchlorides_m1052_14.mol2 │ ├── ranked_Sulfonylchlorides_m1052_15.mol2 │ ├── ranked_Sulfonylchlorides_m1052_16.mol2 │ ├── ranked_Sulfonylchlorides_m1052_17.mol2 │ ├── ranked_Sulfonylchlorides_m1052_18.mol2 │ ├── ranked_Sulfonylchlorides_m1052_19.mol2 │ ├── ranked_Sulfonylchlorides_m1052_2.mol2 │ ├── ranked_Sulfonylchlorides_m1052_20.mol2 │ ├── ranked_Sulfonylchlorides_m1052_3.mol2 │ ├── ranked_Sulfonylchlorides_m1052_4.mol2 │ ├── ranked_Sulfonylchlorides_m1052_5.mol2 │ ├── ranked_Sulfonylchlorides_m1052_6.mol2 │ ├── ranked_Sulfonylchlorides_m1052_7.mol2 │ ├── ranked_Sulfonylchlorides_m1052_8.mol2 │ └── ranked_Sulfonylchlorides_m1052_9.mol2 ├── Sulfonylchlorides_m135 │ ├── Sulfonylchlorides_m135.rnk │ ├── gold_Sulfonylchlorides_m135.log │ ├── gold_Sulfonylchlorides_m135.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m135_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m135_1.mol2 │ ├── ranked_Sulfonylchlorides_m135_10.mol2 │ ├── ranked_Sulfonylchlorides_m135_11.mol2 │ ├── ranked_Sulfonylchlorides_m135_12.mol2 │ ├── ranked_Sulfonylchlorides_m135_13.mol2 │ ├── ranked_Sulfonylchlorides_m135_14.mol2 │ ├── ranked_Sulfonylchlorides_m135_15.mol2 │ ├── ranked_Sulfonylchlorides_m135_16.mol2 │ ├── ranked_Sulfonylchlorides_m135_17.mol2 │ ├── ranked_Sulfonylchlorides_m135_18.mol2 │ ├── ranked_Sulfonylchlorides_m135_19.mol2 │ ├── ranked_Sulfonylchlorides_m135_2.mol2 │ ├── ranked_Sulfonylchlorides_m135_20.mol2 │ ├── ranked_Sulfonylchlorides_m135_3.mol2 │ ├── ranked_Sulfonylchlorides_m135_4.mol2 │ ├── ranked_Sulfonylchlorides_m135_5.mol2 │ ├── ranked_Sulfonylchlorides_m135_6.mol2 │ ├── ranked_Sulfonylchlorides_m135_7.mol2 │ ├── ranked_Sulfonylchlorides_m135_8.mol2 │ └── ranked_Sulfonylchlorides_m135_9.mol2 ├── Sulfonylchlorides_m138 │ ├── Sulfonylchlorides_m138.rnk │ ├── gold_Sulfonylchlorides_m138.log │ ├── gold_Sulfonylchlorides_m138.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m138_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m138_1.mol2 │ ├── ranked_Sulfonylchlorides_m138_10.mol2 │ ├── ranked_Sulfonylchlorides_m138_11.mol2 │ ├── ranked_Sulfonylchlorides_m138_12.mol2 │ ├── ranked_Sulfonylchlorides_m138_13.mol2 │ ├── ranked_Sulfonylchlorides_m138_14.mol2 │ ├── ranked_Sulfonylchlorides_m138_15.mol2 │ ├── ranked_Sulfonylchlorides_m138_16.mol2 │ ├── ranked_Sulfonylchlorides_m138_17.mol2 │ ├── ranked_Sulfonylchlorides_m138_18.mol2 │ ├── ranked_Sulfonylchlorides_m138_19.mol2 │ ├── ranked_Sulfonylchlorides_m138_2.mol2 │ ├── ranked_Sulfonylchlorides_m138_20.mol2 │ ├── ranked_Sulfonylchlorides_m138_3.mol2 │ ├── ranked_Sulfonylchlorides_m138_4.mol2 │ ├── ranked_Sulfonylchlorides_m138_5.mol2 │ ├── ranked_Sulfonylchlorides_m138_6.mol2 │ ├── ranked_Sulfonylchlorides_m138_7.mol2 │ ├── ranked_Sulfonylchlorides_m138_8.mol2 │ └── ranked_Sulfonylchlorides_m138_9.mol2 ├── Sulfonylchlorides_m2 │ ├── Sulfonylchlorides_m2.rnk │ ├── gold_Sulfonylchlorides_m2.log │ ├── gold_Sulfonylchlorides_m2.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m2_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m2_1.mol2 │ ├── ranked_Sulfonylchlorides_m2_10.mol2 │ ├── ranked_Sulfonylchlorides_m2_11.mol2 │ ├── ranked_Sulfonylchlorides_m2_12.mol2 │ ├── ranked_Sulfonylchlorides_m2_13.mol2 │ ├── ranked_Sulfonylchlorides_m2_14.mol2 │ ├── ranked_Sulfonylchlorides_m2_15.mol2 │ ├── ranked_Sulfonylchlorides_m2_16.mol2 │ ├── ranked_Sulfonylchlorides_m2_17.mol2 │ ├── ranked_Sulfonylchlorides_m2_18.mol2 │ ├── ranked_Sulfonylchlorides_m2_19.mol2 │ ├── ranked_Sulfonylchlorides_m2_2.mol2 │ ├── ranked_Sulfonylchlorides_m2_20.mol2 │ ├── ranked_Sulfonylchlorides_m2_3.mol2 │ ├── ranked_Sulfonylchlorides_m2_4.mol2 │ ├── ranked_Sulfonylchlorides_m2_5.mol2 │ ├── ranked_Sulfonylchlorides_m2_6.mol2 │ ├── ranked_Sulfonylchlorides_m2_7.mol2 │ ├── ranked_Sulfonylchlorides_m2_8.mol2 │ └── ranked_Sulfonylchlorides_m2_9.mol2 ├── Sulfonylchlorides_m26 │ ├── Sulfonylchlorides_m26.rnk │ ├── gold_Sulfonylchlorides_m26.log │ ├── gold_Sulfonylchlorides_m26.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m26_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m26_1.mol2 │ ├── ranked_Sulfonylchlorides_m26_10.mol2 │ ├── ranked_Sulfonylchlorides_m26_11.mol2 │ ├── ranked_Sulfonylchlorides_m26_12.mol2 │ ├── ranked_Sulfonylchlorides_m26_13.mol2 │ ├── ranked_Sulfonylchlorides_m26_14.mol2 │ ├── ranked_Sulfonylchlorides_m26_15.mol2 │ ├── ranked_Sulfonylchlorides_m26_16.mol2 │ ├── ranked_Sulfonylchlorides_m26_17.mol2 │ ├── ranked_Sulfonylchlorides_m26_18.mol2 │ ├── ranked_Sulfonylchlorides_m26_19.mol2 │ ├── ranked_Sulfonylchlorides_m26_2.mol2 │ ├── ranked_Sulfonylchlorides_m26_20.mol2 │ ├── ranked_Sulfonylchlorides_m26_3.mol2 │ ├── ranked_Sulfonylchlorides_m26_4.mol2 │ ├── ranked_Sulfonylchlorides_m26_5.mol2 │ ├── ranked_Sulfonylchlorides_m26_6.mol2 │ ├── ranked_Sulfonylchlorides_m26_7.mol2 │ ├── ranked_Sulfonylchlorides_m26_8.mol2 │ └── ranked_Sulfonylchlorides_m26_9.mol2 ├── Sulfonylchlorides_m274 │ ├── Sulfonylchlorides_m274.rnk │ ├── gold_Sulfonylchlorides_m274.log │ ├── gold_Sulfonylchlorides_m274.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m274_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m274_1.mol2 │ ├── ranked_Sulfonylchlorides_m274_10.mol2 │ ├── ranked_Sulfonylchlorides_m274_11.mol2 │ ├── ranked_Sulfonylchlorides_m274_12.mol2 │ ├── ranked_Sulfonylchlorides_m274_13.mol2 │ ├── ranked_Sulfonylchlorides_m274_14.mol2 │ ├── ranked_Sulfonylchlorides_m274_15.mol2 │ ├── ranked_Sulfonylchlorides_m274_16.mol2 │ ├── ranked_Sulfonylchlorides_m274_17.mol2 │ ├── ranked_Sulfonylchlorides_m274_18.mol2 │ ├── ranked_Sulfonylchlorides_m274_19.mol2 │ ├── ranked_Sulfonylchlorides_m274_2.mol2 │ ├── ranked_Sulfonylchlorides_m274_20.mol2 │ ├── ranked_Sulfonylchlorides_m274_3.mol2 │ ├── ranked_Sulfonylchlorides_m274_4.mol2 │ ├── ranked_Sulfonylchlorides_m274_5.mol2 │ ├── ranked_Sulfonylchlorides_m274_6.mol2 │ ├── ranked_Sulfonylchlorides_m274_7.mol2 │ ├── ranked_Sulfonylchlorides_m274_8.mol2 │ └── ranked_Sulfonylchlorides_m274_9.mol2 ├── Sulfonylchlorides_m276 │ ├── Sulfonylchlorides_m276.rnk │ ├── gold_Sulfonylchlorides_m276.log │ ├── gold_Sulfonylchlorides_m276.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m276_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m276_1.mol2 │ ├── ranked_Sulfonylchlorides_m276_10.mol2 │ ├── ranked_Sulfonylchlorides_m276_11.mol2 │ ├── ranked_Sulfonylchlorides_m276_12.mol2 │ ├── ranked_Sulfonylchlorides_m276_13.mol2 │ ├── ranked_Sulfonylchlorides_m276_14.mol2 │ ├── ranked_Sulfonylchlorides_m276_15.mol2 │ ├── ranked_Sulfonylchlorides_m276_16.mol2 │ ├── ranked_Sulfonylchlorides_m276_17.mol2 │ ├── ranked_Sulfonylchlorides_m276_18.mol2 │ ├── ranked_Sulfonylchlorides_m276_19.mol2 │ ├── ranked_Sulfonylchlorides_m276_2.mol2 │ ├── ranked_Sulfonylchlorides_m276_20.mol2 │ ├── ranked_Sulfonylchlorides_m276_3.mol2 │ ├── ranked_Sulfonylchlorides_m276_4.mol2 │ ├── ranked_Sulfonylchlorides_m276_5.mol2 │ ├── ranked_Sulfonylchlorides_m276_6.mol2 │ ├── ranked_Sulfonylchlorides_m276_7.mol2 │ ├── ranked_Sulfonylchlorides_m276_8.mol2 │ └── ranked_Sulfonylchlorides_m276_9.mol2 ├── Sulfonylchlorides_m283 │ ├── Sulfonylchlorides_m283.rnk │ ├── gold_Sulfonylchlorides_m283.log │ ├── gold_Sulfonylchlorides_m283.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m283_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m283_1.mol2 │ ├── ranked_Sulfonylchlorides_m283_10.mol2 │ ├── ranked_Sulfonylchlorides_m283_11.mol2 │ ├── ranked_Sulfonylchlorides_m283_12.mol2 │ ├── ranked_Sulfonylchlorides_m283_13.mol2 │ ├── ranked_Sulfonylchlorides_m283_14.mol2 │ ├── ranked_Sulfonylchlorides_m283_15.mol2 │ ├── ranked_Sulfonylchlorides_m283_16.mol2 │ ├── ranked_Sulfonylchlorides_m283_17.mol2 │ ├── ranked_Sulfonylchlorides_m283_18.mol2 │ ├── ranked_Sulfonylchlorides_m283_19.mol2 │ ├── ranked_Sulfonylchlorides_m283_2.mol2 │ ├── ranked_Sulfonylchlorides_m283_20.mol2 │ ├── ranked_Sulfonylchlorides_m283_3.mol2 │ ├── ranked_Sulfonylchlorides_m283_4.mol2 │ ├── ranked_Sulfonylchlorides_m283_5.mol2 │ ├── ranked_Sulfonylchlorides_m283_6.mol2 │ ├── ranked_Sulfonylchlorides_m283_7.mol2 │ ├── ranked_Sulfonylchlorides_m283_8.mol2 │ └── ranked_Sulfonylchlorides_m283_9.mol2 ├── Sulfonylchlorides_m306 │ ├── Sulfonylchlorides_m306.rnk │ ├── gold_Sulfonylchlorides_m306.log │ ├── gold_Sulfonylchlorides_m306.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m306_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m306_1.mol2 │ ├── ranked_Sulfonylchlorides_m306_10.mol2 │ ├── ranked_Sulfonylchlorides_m306_11.mol2 │ ├── ranked_Sulfonylchlorides_m306_12.mol2 │ ├── ranked_Sulfonylchlorides_m306_13.mol2 │ ├── ranked_Sulfonylchlorides_m306_14.mol2 │ ├── ranked_Sulfonylchlorides_m306_15.mol2 │ ├── ranked_Sulfonylchlorides_m306_16.mol2 │ ├── ranked_Sulfonylchlorides_m306_17.mol2 │ ├── ranked_Sulfonylchlorides_m306_18.mol2 │ ├── ranked_Sulfonylchlorides_m306_19.mol2 │ ├── ranked_Sulfonylchlorides_m306_2.mol2 │ ├── ranked_Sulfonylchlorides_m306_20.mol2 │ ├── ranked_Sulfonylchlorides_m306_3.mol2 │ ├── ranked_Sulfonylchlorides_m306_4.mol2 │ ├── ranked_Sulfonylchlorides_m306_5.mol2 │ ├── ranked_Sulfonylchlorides_m306_6.mol2 │ ├── ranked_Sulfonylchlorides_m306_7.mol2 │ ├── ranked_Sulfonylchlorides_m306_8.mol2 │ └── ranked_Sulfonylchlorides_m306_9.mol2 ├── Sulfonylchlorides_m318 │ ├── Sulfonylchlorides_m318.rnk │ ├── gold_Sulfonylchlorides_m318.log │ ├── gold_Sulfonylchlorides_m318.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m318_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m318_1.mol2 │ ├── ranked_Sulfonylchlorides_m318_10.mol2 │ ├── ranked_Sulfonylchlorides_m318_11.mol2 │ ├── ranked_Sulfonylchlorides_m318_12.mol2 │ ├── ranked_Sulfonylchlorides_m318_13.mol2 │ ├── ranked_Sulfonylchlorides_m318_14.mol2 │ ├── ranked_Sulfonylchlorides_m318_15.mol2 │ ├── ranked_Sulfonylchlorides_m318_16.mol2 │ ├── ranked_Sulfonylchlorides_m318_17.mol2 │ ├── ranked_Sulfonylchlorides_m318_18.mol2 │ ├── ranked_Sulfonylchlorides_m318_19.mol2 │ ├── ranked_Sulfonylchlorides_m318_2.mol2 │ ├── ranked_Sulfonylchlorides_m318_20.mol2 │ ├── ranked_Sulfonylchlorides_m318_3.mol2 │ ├── ranked_Sulfonylchlorides_m318_4.mol2 │ ├── ranked_Sulfonylchlorides_m318_5.mol2 │ ├── ranked_Sulfonylchlorides_m318_6.mol2 │ ├── ranked_Sulfonylchlorides_m318_7.mol2 │ ├── ranked_Sulfonylchlorides_m318_8.mol2 │ └── ranked_Sulfonylchlorides_m318_9.mol2 ├── Sulfonylchlorides_m33 │ ├── Sulfonylchlorides_m33.rnk │ ├── gold_Sulfonylchlorides_m33.log │ ├── gold_Sulfonylchlorides_m33.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m33_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m33_1.mol2 │ ├── ranked_Sulfonylchlorides_m33_10.mol2 │ ├── ranked_Sulfonylchlorides_m33_11.mol2 │ ├── ranked_Sulfonylchlorides_m33_12.mol2 │ ├── ranked_Sulfonylchlorides_m33_13.mol2 │ ├── ranked_Sulfonylchlorides_m33_14.mol2 │ ├── ranked_Sulfonylchlorides_m33_15.mol2 │ ├── ranked_Sulfonylchlorides_m33_16.mol2 │ ├── ranked_Sulfonylchlorides_m33_17.mol2 │ ├── ranked_Sulfonylchlorides_m33_18.mol2 │ ├── ranked_Sulfonylchlorides_m33_19.mol2 │ ├── ranked_Sulfonylchlorides_m33_2.mol2 │ ├── ranked_Sulfonylchlorides_m33_20.mol2 │ ├── ranked_Sulfonylchlorides_m33_3.mol2 │ ├── ranked_Sulfonylchlorides_m33_4.mol2 │ ├── ranked_Sulfonylchlorides_m33_5.mol2 │ ├── ranked_Sulfonylchlorides_m33_6.mol2 │ ├── ranked_Sulfonylchlorides_m33_7.mol2 │ ├── ranked_Sulfonylchlorides_m33_8.mol2 │ └── ranked_Sulfonylchlorides_m33_9.mol2 ├── Sulfonylchlorides_m386 │ ├── Sulfonylchlorides_m386.rnk │ ├── gold_Sulfonylchlorides_m386.log │ ├── gold_Sulfonylchlorides_m386.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m386_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m386_1.mol2 │ ├── ranked_Sulfonylchlorides_m386_10.mol2 │ ├── ranked_Sulfonylchlorides_m386_11.mol2 │ ├── ranked_Sulfonylchlorides_m386_12.mol2 │ ├── ranked_Sulfonylchlorides_m386_13.mol2 │ ├── ranked_Sulfonylchlorides_m386_14.mol2 │ ├── ranked_Sulfonylchlorides_m386_15.mol2 │ ├── ranked_Sulfonylchlorides_m386_16.mol2 │ ├── ranked_Sulfonylchlorides_m386_17.mol2 │ ├── ranked_Sulfonylchlorides_m386_18.mol2 │ ├── ranked_Sulfonylchlorides_m386_19.mol2 │ ├── ranked_Sulfonylchlorides_m386_2.mol2 │ ├── ranked_Sulfonylchlorides_m386_20.mol2 │ ├── ranked_Sulfonylchlorides_m386_3.mol2 │ ├── ranked_Sulfonylchlorides_m386_4.mol2 │ ├── ranked_Sulfonylchlorides_m386_5.mol2 │ ├── ranked_Sulfonylchlorides_m386_6.mol2 │ ├── ranked_Sulfonylchlorides_m386_7.mol2 │ ├── ranked_Sulfonylchlorides_m386_8.mol2 │ └── ranked_Sulfonylchlorides_m386_9.mol2 ├── Sulfonylchlorides_m525 │ ├── Sulfonylchlorides_m525.rnk │ ├── gold_Sulfonylchlorides_m525.log │ ├── gold_Sulfonylchlorides_m525.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m525_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m525_1.mol2 │ ├── ranked_Sulfonylchlorides_m525_10.mol2 │ ├── ranked_Sulfonylchlorides_m525_11.mol2 │ ├── ranked_Sulfonylchlorides_m525_12.mol2 │ ├── ranked_Sulfonylchlorides_m525_13.mol2 │ ├── ranked_Sulfonylchlorides_m525_14.mol2 │ ├── ranked_Sulfonylchlorides_m525_15.mol2 │ ├── ranked_Sulfonylchlorides_m525_16.mol2 │ ├── ranked_Sulfonylchlorides_m525_17.mol2 │ ├── ranked_Sulfonylchlorides_m525_18.mol2 │ ├── ranked_Sulfonylchlorides_m525_19.mol2 │ ├── ranked_Sulfonylchlorides_m525_2.mol2 │ ├── ranked_Sulfonylchlorides_m525_20.mol2 │ ├── ranked_Sulfonylchlorides_m525_3.mol2 │ ├── ranked_Sulfonylchlorides_m525_4.mol2 │ ├── ranked_Sulfonylchlorides_m525_5.mol2 │ ├── ranked_Sulfonylchlorides_m525_6.mol2 │ ├── ranked_Sulfonylchlorides_m525_7.mol2 │ ├── ranked_Sulfonylchlorides_m525_8.mol2 │ └── ranked_Sulfonylchlorides_m525_9.mol2 ├── Sulfonylchlorides_m60 │ ├── Sulfonylchlorides_m60.rnk │ ├── gold_Sulfonylchlorides_m60.log │ ├── gold_Sulfonylchlorides_m60.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m60_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m60_1.mol2 │ ├── ranked_Sulfonylchlorides_m60_10.mol2 │ ├── ranked_Sulfonylchlorides_m60_11.mol2 │ ├── ranked_Sulfonylchlorides_m60_12.mol2 │ ├── ranked_Sulfonylchlorides_m60_13.mol2 │ ├── ranked_Sulfonylchlorides_m60_14.mol2 │ ├── ranked_Sulfonylchlorides_m60_15.mol2 │ ├── ranked_Sulfonylchlorides_m60_16.mol2 │ ├── ranked_Sulfonylchlorides_m60_17.mol2 │ ├── ranked_Sulfonylchlorides_m60_18.mol2 │ ├── ranked_Sulfonylchlorides_m60_19.mol2 │ ├── ranked_Sulfonylchlorides_m60_2.mol2 │ ├── ranked_Sulfonylchlorides_m60_20.mol2 │ ├── ranked_Sulfonylchlorides_m60_3.mol2 │ ├── ranked_Sulfonylchlorides_m60_4.mol2 │ ├── ranked_Sulfonylchlorides_m60_5.mol2 │ ├── ranked_Sulfonylchlorides_m60_6.mol2 │ ├── ranked_Sulfonylchlorides_m60_7.mol2 │ ├── ranked_Sulfonylchlorides_m60_8.mol2 │ └── ranked_Sulfonylchlorides_m60_9.mol2 ├── Sulfonylchlorides_m620 │ ├── Sulfonylchlorides_m620.rnk │ ├── gold_Sulfonylchlorides_m620.log │ ├── gold_Sulfonylchlorides_m620.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m620_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m620_1.mol2 │ ├── ranked_Sulfonylchlorides_m620_10.mol2 │ ├── ranked_Sulfonylchlorides_m620_11.mol2 │ ├── ranked_Sulfonylchlorides_m620_12.mol2 │ ├── ranked_Sulfonylchlorides_m620_13.mol2 │ ├── ranked_Sulfonylchlorides_m620_14.mol2 │ ├── ranked_Sulfonylchlorides_m620_15.mol2 │ ├── ranked_Sulfonylchlorides_m620_16.mol2 │ ├── ranked_Sulfonylchlorides_m620_17.mol2 │ ├── ranked_Sulfonylchlorides_m620_18.mol2 │ ├── ranked_Sulfonylchlorides_m620_19.mol2 │ ├── ranked_Sulfonylchlorides_m620_2.mol2 │ ├── ranked_Sulfonylchlorides_m620_20.mol2 │ ├── ranked_Sulfonylchlorides_m620_3.mol2 │ ├── ranked_Sulfonylchlorides_m620_4.mol2 │ ├── ranked_Sulfonylchlorides_m620_5.mol2 │ ├── ranked_Sulfonylchlorides_m620_6.mol2 │ ├── ranked_Sulfonylchlorides_m620_7.mol2 │ ├── ranked_Sulfonylchlorides_m620_8.mol2 │ └── ranked_Sulfonylchlorides_m620_9.mol2 ├── Sulfonylchlorides_m624 │ ├── Sulfonylchlorides_m624.rnk │ ├── gold_Sulfonylchlorides_m624.log │ ├── gold_Sulfonylchlorides_m624.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m624_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m624_1.mol2 │ ├── ranked_Sulfonylchlorides_m624_10.mol2 │ ├── ranked_Sulfonylchlorides_m624_11.mol2 │ ├── ranked_Sulfonylchlorides_m624_12.mol2 │ ├── ranked_Sulfonylchlorides_m624_13.mol2 │ ├── ranked_Sulfonylchlorides_m624_14.mol2 │ ├── ranked_Sulfonylchlorides_m624_15.mol2 │ ├── ranked_Sulfonylchlorides_m624_16.mol2 │ ├── ranked_Sulfonylchlorides_m624_17.mol2 │ ├── ranked_Sulfonylchlorides_m624_18.mol2 │ ├── ranked_Sulfonylchlorides_m624_19.mol2 │ ├── ranked_Sulfonylchlorides_m624_2.mol2 │ ├── ranked_Sulfonylchlorides_m624_20.mol2 │ ├── ranked_Sulfonylchlorides_m624_3.mol2 │ ├── ranked_Sulfonylchlorides_m624_4.mol2 │ ├── ranked_Sulfonylchlorides_m624_5.mol2 │ ├── ranked_Sulfonylchlorides_m624_6.mol2 │ ├── ranked_Sulfonylchlorides_m624_7.mol2 │ ├── ranked_Sulfonylchlorides_m624_8.mol2 │ └── ranked_Sulfonylchlorides_m624_9.mol2 ├── Sulfonylchlorides_m629 │ ├── Sulfonylchlorides_m629.rnk │ ├── gold_Sulfonylchlorides_m629.log │ ├── gold_Sulfonylchlorides_m629.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m629_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m629_1.mol2 │ ├── ranked_Sulfonylchlorides_m629_10.mol2 │ ├── ranked_Sulfonylchlorides_m629_11.mol2 │ ├── ranked_Sulfonylchlorides_m629_12.mol2 │ ├── ranked_Sulfonylchlorides_m629_13.mol2 │ ├── ranked_Sulfonylchlorides_m629_14.mol2 │ ├── ranked_Sulfonylchlorides_m629_15.mol2 │ ├── ranked_Sulfonylchlorides_m629_16.mol2 │ ├── ranked_Sulfonylchlorides_m629_17.mol2 │ ├── ranked_Sulfonylchlorides_m629_18.mol2 │ ├── ranked_Sulfonylchlorides_m629_19.mol2 │ ├── ranked_Sulfonylchlorides_m629_2.mol2 │ ├── ranked_Sulfonylchlorides_m629_20.mol2 │ ├── ranked_Sulfonylchlorides_m629_3.mol2 │ ├── ranked_Sulfonylchlorides_m629_4.mol2 │ ├── ranked_Sulfonylchlorides_m629_5.mol2 │ ├── ranked_Sulfonylchlorides_m629_6.mol2 │ ├── ranked_Sulfonylchlorides_m629_7.mol2 │ ├── ranked_Sulfonylchlorides_m629_8.mol2 │ └── ranked_Sulfonylchlorides_m629_9.mol2 ├── Sulfonylchlorides_m66 │ ├── Sulfonylchlorides_m66.rnk │ ├── gold_Sulfonylchlorides_m66.log │ ├── gold_Sulfonylchlorides_m66.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m66_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m66_1.mol2 │ ├── ranked_Sulfonylchlorides_m66_10.mol2 │ ├── ranked_Sulfonylchlorides_m66_11.mol2 │ ├── ranked_Sulfonylchlorides_m66_12.mol2 │ ├── ranked_Sulfonylchlorides_m66_13.mol2 │ ├── ranked_Sulfonylchlorides_m66_14.mol2 │ ├── ranked_Sulfonylchlorides_m66_15.mol2 │ ├── ranked_Sulfonylchlorides_m66_16.mol2 │ ├── ranked_Sulfonylchlorides_m66_17.mol2 │ ├── ranked_Sulfonylchlorides_m66_18.mol2 │ ├── ranked_Sulfonylchlorides_m66_19.mol2 │ ├── ranked_Sulfonylchlorides_m66_2.mol2 │ ├── ranked_Sulfonylchlorides_m66_20.mol2 │ ├── ranked_Sulfonylchlorides_m66_3.mol2 │ ├── ranked_Sulfonylchlorides_m66_4.mol2 │ ├── ranked_Sulfonylchlorides_m66_5.mol2 │ ├── ranked_Sulfonylchlorides_m66_6.mol2 │ ├── ranked_Sulfonylchlorides_m66_7.mol2 │ ├── ranked_Sulfonylchlorides_m66_8.mol2 │ └── ranked_Sulfonylchlorides_m66_9.mol2 ├── Sulfonylchlorides_m73 │ ├── Sulfonylchlorides_m73.rnk │ ├── gold_Sulfonylchlorides_m73.log │ ├── gold_Sulfonylchlorides_m73.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m73_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m73_1.mol2 │ ├── ranked_Sulfonylchlorides_m73_10.mol2 │ ├── ranked_Sulfonylchlorides_m73_11.mol2 │ ├── ranked_Sulfonylchlorides_m73_12.mol2 │ ├── ranked_Sulfonylchlorides_m73_13.mol2 │ ├── ranked_Sulfonylchlorides_m73_14.mol2 │ ├── ranked_Sulfonylchlorides_m73_15.mol2 │ ├── ranked_Sulfonylchlorides_m73_16.mol2 │ ├── ranked_Sulfonylchlorides_m73_17.mol2 │ ├── ranked_Sulfonylchlorides_m73_18.mol2 │ ├── ranked_Sulfonylchlorides_m73_19.mol2 │ ├── ranked_Sulfonylchlorides_m73_2.mol2 │ ├── ranked_Sulfonylchlorides_m73_20.mol2 │ ├── ranked_Sulfonylchlorides_m73_3.mol2 │ ├── ranked_Sulfonylchlorides_m73_4.mol2 │ ├── ranked_Sulfonylchlorides_m73_5.mol2 │ ├── ranked_Sulfonylchlorides_m73_6.mol2 │ ├── ranked_Sulfonylchlorides_m73_7.mol2 │ ├── ranked_Sulfonylchlorides_m73_8.mol2 │ └── ranked_Sulfonylchlorides_m73_9.mol2 ├── Sulfonylchlorides_m733 │ ├── Sulfonylchlorides_m733.rnk │ ├── gold_Sulfonylchlorides_m733.log │ ├── gold_Sulfonylchlorides_m733.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m733_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m733_1.mol2 │ ├── ranked_Sulfonylchlorides_m733_10.mol2 │ ├── ranked_Sulfonylchlorides_m733_11.mol2 │ ├── ranked_Sulfonylchlorides_m733_12.mol2 │ ├── ranked_Sulfonylchlorides_m733_13.mol2 │ ├── ranked_Sulfonylchlorides_m733_14.mol2 │ ├── ranked_Sulfonylchlorides_m733_15.mol2 │ ├── ranked_Sulfonylchlorides_m733_16.mol2 │ ├── ranked_Sulfonylchlorides_m733_17.mol2 │ ├── ranked_Sulfonylchlorides_m733_18.mol2 │ ├── ranked_Sulfonylchlorides_m733_19.mol2 │ ├── ranked_Sulfonylchlorides_m733_2.mol2 │ ├── ranked_Sulfonylchlorides_m733_20.mol2 │ ├── ranked_Sulfonylchlorides_m733_3.mol2 │ ├── ranked_Sulfonylchlorides_m733_4.mol2 │ ├── ranked_Sulfonylchlorides_m733_5.mol2 │ ├── ranked_Sulfonylchlorides_m733_6.mol2 │ ├── ranked_Sulfonylchlorides_m733_7.mol2 │ ├── ranked_Sulfonylchlorides_m733_8.mol2 │ └── ranked_Sulfonylchlorides_m733_9.mol2 ├── Sulfonylchlorides_m756 │ ├── Sulfonylchlorides_m756.rnk │ ├── gold_Sulfonylchlorides_m756.log │ ├── gold_Sulfonylchlorides_m756.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m756_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m756_1.mol2 │ ├── ranked_Sulfonylchlorides_m756_10.mol2 │ ├── ranked_Sulfonylchlorides_m756_11.mol2 │ ├── ranked_Sulfonylchlorides_m756_12.mol2 │ ├── ranked_Sulfonylchlorides_m756_13.mol2 │ ├── ranked_Sulfonylchlorides_m756_14.mol2 │ ├── ranked_Sulfonylchlorides_m756_15.mol2 │ ├── ranked_Sulfonylchlorides_m756_16.mol2 │ ├── ranked_Sulfonylchlorides_m756_17.mol2 │ ├── ranked_Sulfonylchlorides_m756_18.mol2 │ ├── ranked_Sulfonylchlorides_m756_19.mol2 │ ├── ranked_Sulfonylchlorides_m756_2.mol2 │ ├── ranked_Sulfonylchlorides_m756_20.mol2 │ ├── ranked_Sulfonylchlorides_m756_3.mol2 │ ├── ranked_Sulfonylchlorides_m756_4.mol2 │ ├── ranked_Sulfonylchlorides_m756_5.mol2 │ ├── ranked_Sulfonylchlorides_m756_6.mol2 │ ├── ranked_Sulfonylchlorides_m756_7.mol2 │ ├── ranked_Sulfonylchlorides_m756_8.mol2 │ └── ranked_Sulfonylchlorides_m756_9.mol2 ├── Sulfonylchlorides_m903 │ ├── Sulfonylchlorides_m903.rnk │ ├── gold_Sulfonylchlorides_m903.log │ ├── gold_Sulfonylchlorides_m903.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m903_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m903_1.mol2 │ ├── ranked_Sulfonylchlorides_m903_10.mol2 │ ├── ranked_Sulfonylchlorides_m903_11.mol2 │ ├── ranked_Sulfonylchlorides_m903_12.mol2 │ ├── ranked_Sulfonylchlorides_m903_13.mol2 │ ├── ranked_Sulfonylchlorides_m903_14.mol2 │ ├── ranked_Sulfonylchlorides_m903_15.mol2 │ ├── ranked_Sulfonylchlorides_m903_16.mol2 │ ├── ranked_Sulfonylchlorides_m903_17.mol2 │ ├── ranked_Sulfonylchlorides_m903_18.mol2 │ ├── ranked_Sulfonylchlorides_m903_19.mol2 │ ├── ranked_Sulfonylchlorides_m903_2.mol2 │ ├── ranked_Sulfonylchlorides_m903_20.mol2 │ ├── ranked_Sulfonylchlorides_m903_3.mol2 │ ├── ranked_Sulfonylchlorides_m903_4.mol2 │ ├── ranked_Sulfonylchlorides_m903_5.mol2 │ ├── ranked_Sulfonylchlorides_m903_6.mol2 │ ├── ranked_Sulfonylchlorides_m903_7.mol2 │ ├── ranked_Sulfonylchlorides_m903_8.mol2 │ └── ranked_Sulfonylchlorides_m903_9.mol2 ├── Sulfonylchlorides_m910 │ ├── Sulfonylchlorides_m910.rnk │ ├── gold_Sulfonylchlorides_m910.log │ ├── gold_Sulfonylchlorides_m910.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_1.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_10.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_11.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_12.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_13.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_14.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_15.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_16.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_17.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_18.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_19.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_2.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_20.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_3.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_4.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_5.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_6.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_7.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_8.mol2 │ ├── gold_soln_Sulfonylchlorides_m910_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_Sulfonylchlorides_m910_1.mol2 │ ├── ranked_Sulfonylchlorides_m910_10.mol2 │ ├── ranked_Sulfonylchlorides_m910_11.mol2 │ ├── ranked_Sulfonylchlorides_m910_12.mol2 │ ├── ranked_Sulfonylchlorides_m910_13.mol2 │ ├── ranked_Sulfonylchlorides_m910_14.mol2 │ ├── ranked_Sulfonylchlorides_m910_15.mol2 │ ├── ranked_Sulfonylchlorides_m910_16.mol2 │ ├── ranked_Sulfonylchlorides_m910_17.mol2 │ ├── ranked_Sulfonylchlorides_m910_18.mol2 │ ├── ranked_Sulfonylchlorides_m910_19.mol2 │ ├── ranked_Sulfonylchlorides_m910_2.mol2 │ ├── ranked_Sulfonylchlorides_m910_20.mol2 │ ├── ranked_Sulfonylchlorides_m910_3.mol2 │ ├── ranked_Sulfonylchlorides_m910_4.mol2 │ ├── ranked_Sulfonylchlorides_m910_5.mol2 │ ├── ranked_Sulfonylchlorides_m910_6.mol2 │ ├── ranked_Sulfonylchlorides_m910_7.mol2 │ ├── ranked_Sulfonylchlorides_m910_8.mol2 │ └── ranked_Sulfonylchlorides_m910_9.mol2 ├── amine_1_m1077 │ ├── amine_1_m1077.rnk │ ├── gold_amine_1_m1077.log │ ├── gold_amine_1_m1077.mol2 │ ├── gold_soln_amine_1_m1077_1.mol2 │ ├── gold_soln_amine_1_m1077_10.mol2 │ ├── gold_soln_amine_1_m1077_11.mol2 │ ├── gold_soln_amine_1_m1077_12.mol2 │ ├── gold_soln_amine_1_m1077_13.mol2 │ ├── gold_soln_amine_1_m1077_14.mol2 │ ├── gold_soln_amine_1_m1077_15.mol2 │ ├── gold_soln_amine_1_m1077_16.mol2 │ ├── gold_soln_amine_1_m1077_17.mol2 │ ├── gold_soln_amine_1_m1077_18.mol2 │ ├── gold_soln_amine_1_m1077_19.mol2 │ ├── gold_soln_amine_1_m1077_2.mol2 │ ├── gold_soln_amine_1_m1077_20.mol2 │ ├── gold_soln_amine_1_m1077_3.mol2 │ ├── gold_soln_amine_1_m1077_4.mol2 │ ├── gold_soln_amine_1_m1077_5.mol2 │ ├── gold_soln_amine_1_m1077_6.mol2 │ ├── gold_soln_amine_1_m1077_7.mol2 │ ├── gold_soln_amine_1_m1077_8.mol2 │ ├── gold_soln_amine_1_m1077_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m1077_1.mol2 │ ├── ranked_amine_1_m1077_10.mol2 │ ├── ranked_amine_1_m1077_11.mol2 │ ├── ranked_amine_1_m1077_12.mol2 │ ├── ranked_amine_1_m1077_13.mol2 │ ├── ranked_amine_1_m1077_14.mol2 │ ├── ranked_amine_1_m1077_15.mol2 │ ├── ranked_amine_1_m1077_16.mol2 │ ├── ranked_amine_1_m1077_17.mol2 │ ├── ranked_amine_1_m1077_18.mol2 │ ├── ranked_amine_1_m1077_19.mol2 │ ├── ranked_amine_1_m1077_2.mol2 │ ├── ranked_amine_1_m1077_20.mol2 │ ├── ranked_amine_1_m1077_3.mol2 │ ├── ranked_amine_1_m1077_4.mol2 │ ├── ranked_amine_1_m1077_5.mol2 │ ├── ranked_amine_1_m1077_6.mol2 │ ├── ranked_amine_1_m1077_7.mol2 │ ├── ranked_amine_1_m1077_8.mol2 │ └── ranked_amine_1_m1077_9.mol2 ├── amine_1_m12 │ ├── amine_1_m12.rnk │ ├── gold_amine_1_m12.log │ ├── gold_amine_1_m12.mol2 │ ├── gold_soln_amine_1_m12_1.mol2 │ ├── gold_soln_amine_1_m12_10.mol2 │ ├── gold_soln_amine_1_m12_11.mol2 │ ├── gold_soln_amine_1_m12_12.mol2 │ ├── gold_soln_amine_1_m12_13.mol2 │ ├── gold_soln_amine_1_m12_14.mol2 │ ├── gold_soln_amine_1_m12_15.mol2 │ ├── gold_soln_amine_1_m12_16.mol2 │ ├── gold_soln_amine_1_m12_17.mol2 │ ├── gold_soln_amine_1_m12_18.mol2 │ ├── gold_soln_amine_1_m12_19.mol2 │ ├── gold_soln_amine_1_m12_2.mol2 │ ├── gold_soln_amine_1_m12_20.mol2 │ ├── gold_soln_amine_1_m12_3.mol2 │ ├── gold_soln_amine_1_m12_4.mol2 │ ├── gold_soln_amine_1_m12_5.mol2 │ ├── gold_soln_amine_1_m12_6.mol2 │ ├── gold_soln_amine_1_m12_7.mol2 │ ├── gold_soln_amine_1_m12_8.mol2 │ ├── gold_soln_amine_1_m12_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m12_1.mol2 │ ├── ranked_amine_1_m12_10.mol2 │ ├── ranked_amine_1_m12_11.mol2 │ ├── ranked_amine_1_m12_12.mol2 │ ├── ranked_amine_1_m12_13.mol2 │ ├── ranked_amine_1_m12_14.mol2 │ ├── ranked_amine_1_m12_15.mol2 │ ├── ranked_amine_1_m12_16.mol2 │ ├── ranked_amine_1_m12_17.mol2 │ ├── ranked_amine_1_m12_18.mol2 │ ├── ranked_amine_1_m12_19.mol2 │ ├── ranked_amine_1_m12_2.mol2 │ ├── ranked_amine_1_m12_20.mol2 │ ├── ranked_amine_1_m12_3.mol2 │ ├── ranked_amine_1_m12_4.mol2 │ ├── ranked_amine_1_m12_5.mol2 │ ├── ranked_amine_1_m12_6.mol2 │ ├── ranked_amine_1_m12_7.mol2 │ ├── ranked_amine_1_m12_8.mol2 │ └── ranked_amine_1_m12_9.mol2 ├── amine_1_m186 │ ├── amine_1_m186.rnk │ ├── gold_amine_1_m186.log │ ├── gold_amine_1_m186.mol2 │ ├── gold_soln_amine_1_m186_1.mol2 │ ├── gold_soln_amine_1_m186_10.mol2 │ ├── gold_soln_amine_1_m186_11.mol2 │ ├── gold_soln_amine_1_m186_12.mol2 │ ├── gold_soln_amine_1_m186_13.mol2 │ ├── gold_soln_amine_1_m186_14.mol2 │ ├── gold_soln_amine_1_m186_15.mol2 │ ├── gold_soln_amine_1_m186_16.mol2 │ ├── gold_soln_amine_1_m186_17.mol2 │ ├── gold_soln_amine_1_m186_18.mol2 │ ├── gold_soln_amine_1_m186_19.mol2 │ ├── gold_soln_amine_1_m186_2.mol2 │ ├── gold_soln_amine_1_m186_20.mol2 │ ├── gold_soln_amine_1_m186_3.mol2 │ ├── gold_soln_amine_1_m186_4.mol2 │ ├── gold_soln_amine_1_m186_5.mol2 │ ├── gold_soln_amine_1_m186_6.mol2 │ ├── gold_soln_amine_1_m186_7.mol2 │ ├── gold_soln_amine_1_m186_8.mol2 │ ├── gold_soln_amine_1_m186_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m186_1.mol2 │ ├── ranked_amine_1_m186_10.mol2 │ ├── ranked_amine_1_m186_11.mol2 │ ├── ranked_amine_1_m186_12.mol2 │ ├── ranked_amine_1_m186_13.mol2 │ ├── ranked_amine_1_m186_14.mol2 │ ├── ranked_amine_1_m186_15.mol2 │ ├── ranked_amine_1_m186_16.mol2 │ ├── ranked_amine_1_m186_17.mol2 │ ├── ranked_amine_1_m186_18.mol2 │ ├── ranked_amine_1_m186_19.mol2 │ ├── ranked_amine_1_m186_2.mol2 │ ├── ranked_amine_1_m186_20.mol2 │ ├── ranked_amine_1_m186_3.mol2 │ ├── ranked_amine_1_m186_4.mol2 │ ├── ranked_amine_1_m186_5.mol2 │ ├── ranked_amine_1_m186_6.mol2 │ ├── ranked_amine_1_m186_7.mol2 │ ├── ranked_amine_1_m186_8.mol2 │ └── ranked_amine_1_m186_9.mol2 ├── amine_1_m274 │ ├── amine_1_m274.rnk │ ├── gold_amine_1_m274.log │ ├── gold_amine_1_m274.mol2 │ ├── gold_soln_amine_1_m274_1.mol2 │ ├── gold_soln_amine_1_m274_10.mol2 │ ├── gold_soln_amine_1_m274_11.mol2 │ ├── gold_soln_amine_1_m274_12.mol2 │ ├── gold_soln_amine_1_m274_13.mol2 │ ├── gold_soln_amine_1_m274_14.mol2 │ ├── gold_soln_amine_1_m274_15.mol2 │ ├── gold_soln_amine_1_m274_16.mol2 │ ├── gold_soln_amine_1_m274_17.mol2 │ ├── gold_soln_amine_1_m274_18.mol2 │ ├── gold_soln_amine_1_m274_19.mol2 │ ├── gold_soln_amine_1_m274_2.mol2 │ ├── gold_soln_amine_1_m274_20.mol2 │ ├── gold_soln_amine_1_m274_3.mol2 │ ├── gold_soln_amine_1_m274_4.mol2 │ ├── gold_soln_amine_1_m274_5.mol2 │ ├── gold_soln_amine_1_m274_6.mol2 │ ├── gold_soln_amine_1_m274_7.mol2 │ ├── gold_soln_amine_1_m274_8.mol2 │ ├── gold_soln_amine_1_m274_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m274_1.mol2 │ ├── ranked_amine_1_m274_10.mol2 │ ├── ranked_amine_1_m274_11.mol2 │ ├── ranked_amine_1_m274_12.mol2 │ ├── ranked_amine_1_m274_13.mol2 │ ├── ranked_amine_1_m274_14.mol2 │ ├── ranked_amine_1_m274_15.mol2 │ ├── ranked_amine_1_m274_16.mol2 │ ├── ranked_amine_1_m274_17.mol2 │ ├── ranked_amine_1_m274_18.mol2 │ ├── ranked_amine_1_m274_19.mol2 │ ├── ranked_amine_1_m274_2.mol2 │ ├── ranked_amine_1_m274_20.mol2 │ ├── ranked_amine_1_m274_3.mol2 │ ├── ranked_amine_1_m274_4.mol2 │ ├── ranked_amine_1_m274_5.mol2 │ ├── ranked_amine_1_m274_6.mol2 │ ├── ranked_amine_1_m274_7.mol2 │ ├── ranked_amine_1_m274_8.mol2 │ └── ranked_amine_1_m274_9.mol2 ├── amine_1_m388 │ ├── amine_1_m388.rnk │ ├── gold_amine_1_m388.log │ ├── gold_amine_1_m388.mol2 │ ├── gold_soln_amine_1_m388_1.mol2 │ ├── gold_soln_amine_1_m388_10.mol2 │ ├── gold_soln_amine_1_m388_11.mol2 │ ├── gold_soln_amine_1_m388_12.mol2 │ ├── gold_soln_amine_1_m388_13.mol2 │ ├── gold_soln_amine_1_m388_14.mol2 │ ├── gold_soln_amine_1_m388_15.mol2 │ ├── gold_soln_amine_1_m388_16.mol2 │ ├── gold_soln_amine_1_m388_17.mol2 │ ├── gold_soln_amine_1_m388_18.mol2 │ ├── gold_soln_amine_1_m388_19.mol2 │ ├── gold_soln_amine_1_m388_2.mol2 │ ├── gold_soln_amine_1_m388_20.mol2 │ ├── gold_soln_amine_1_m388_3.mol2 │ ├── gold_soln_amine_1_m388_4.mol2 │ ├── gold_soln_amine_1_m388_5.mol2 │ ├── gold_soln_amine_1_m388_6.mol2 │ ├── gold_soln_amine_1_m388_7.mol2 │ ├── gold_soln_amine_1_m388_8.mol2 │ ├── gold_soln_amine_1_m388_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m388_1.mol2 │ ├── ranked_amine_1_m388_10.mol2 │ ├── ranked_amine_1_m388_11.mol2 │ ├── ranked_amine_1_m388_12.mol2 │ ├── ranked_amine_1_m388_13.mol2 │ ├── ranked_amine_1_m388_14.mol2 │ ├── ranked_amine_1_m388_15.mol2 │ ├── ranked_amine_1_m388_16.mol2 │ ├── ranked_amine_1_m388_17.mol2 │ ├── ranked_amine_1_m388_18.mol2 │ ├── ranked_amine_1_m388_19.mol2 │ ├── ranked_amine_1_m388_2.mol2 │ ├── ranked_amine_1_m388_20.mol2 │ ├── ranked_amine_1_m388_3.mol2 │ ├── ranked_amine_1_m388_4.mol2 │ ├── ranked_amine_1_m388_5.mol2 │ ├── ranked_amine_1_m388_6.mol2 │ ├── ranked_amine_1_m388_7.mol2 │ ├── ranked_amine_1_m388_8.mol2 │ └── ranked_amine_1_m388_9.mol2 ├── amine_1_m39 │ ├── amine_1_m39.rnk │ ├── gold_amine_1_m39.log │ ├── gold_amine_1_m39.mol2 │ ├── gold_soln_amine_1_m39_1.mol2 │ ├── gold_soln_amine_1_m39_10.mol2 │ ├── gold_soln_amine_1_m39_11.mol2 │ ├── gold_soln_amine_1_m39_12.mol2 │ ├── gold_soln_amine_1_m39_13.mol2 │ ├── gold_soln_amine_1_m39_14.mol2 │ ├── gold_soln_amine_1_m39_15.mol2 │ ├── gold_soln_amine_1_m39_16.mol2 │ ├── gold_soln_amine_1_m39_17.mol2 │ ├── gold_soln_amine_1_m39_18.mol2 │ ├── gold_soln_amine_1_m39_19.mol2 │ ├── gold_soln_amine_1_m39_2.mol2 │ ├── gold_soln_amine_1_m39_20.mol2 │ ├── gold_soln_amine_1_m39_3.mol2 │ ├── gold_soln_amine_1_m39_4.mol2 │ ├── gold_soln_amine_1_m39_5.mol2 │ ├── gold_soln_amine_1_m39_6.mol2 │ ├── gold_soln_amine_1_m39_7.mol2 │ ├── gold_soln_amine_1_m39_8.mol2 │ ├── gold_soln_amine_1_m39_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m39_1.mol2 │ ├── ranked_amine_1_m39_10.mol2 │ ├── ranked_amine_1_m39_11.mol2 │ ├── ranked_amine_1_m39_12.mol2 │ ├── ranked_amine_1_m39_13.mol2 │ ├── ranked_amine_1_m39_14.mol2 │ ├── ranked_amine_1_m39_15.mol2 │ ├── ranked_amine_1_m39_16.mol2 │ ├── ranked_amine_1_m39_17.mol2 │ ├── ranked_amine_1_m39_18.mol2 │ ├── ranked_amine_1_m39_19.mol2 │ ├── ranked_amine_1_m39_2.mol2 │ ├── ranked_amine_1_m39_20.mol2 │ ├── ranked_amine_1_m39_3.mol2 │ ├── ranked_amine_1_m39_4.mol2 │ ├── ranked_amine_1_m39_5.mol2 │ ├── ranked_amine_1_m39_6.mol2 │ ├── ranked_amine_1_m39_7.mol2 │ ├── ranked_amine_1_m39_8.mol2 │ └── ranked_amine_1_m39_9.mol2 ├── amine_1_m454 │ ├── amine_1_m454.rnk │ ├── gold_amine_1_m454.log │ ├── gold_amine_1_m454.mol2 │ ├── gold_soln_amine_1_m454_1.mol2 │ ├── gold_soln_amine_1_m454_10.mol2 │ ├── gold_soln_amine_1_m454_11.mol2 │ ├── gold_soln_amine_1_m454_12.mol2 │ ├── gold_soln_amine_1_m454_13.mol2 │ ├── gold_soln_amine_1_m454_14.mol2 │ ├── gold_soln_amine_1_m454_15.mol2 │ ├── gold_soln_amine_1_m454_16.mol2 │ ├── gold_soln_amine_1_m454_17.mol2 │ ├── gold_soln_amine_1_m454_18.mol2 │ ├── gold_soln_amine_1_m454_19.mol2 │ ├── gold_soln_amine_1_m454_2.mol2 │ ├── gold_soln_amine_1_m454_20.mol2 │ ├── gold_soln_amine_1_m454_3.mol2 │ ├── gold_soln_amine_1_m454_4.mol2 │ ├── gold_soln_amine_1_m454_5.mol2 │ ├── gold_soln_amine_1_m454_6.mol2 │ ├── gold_soln_amine_1_m454_7.mol2 │ ├── gold_soln_amine_1_m454_8.mol2 │ ├── gold_soln_amine_1_m454_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m454_1.mol2 │ ├── ranked_amine_1_m454_10.mol2 │ ├── ranked_amine_1_m454_11.mol2 │ ├── ranked_amine_1_m454_12.mol2 │ ├── ranked_amine_1_m454_13.mol2 │ ├── ranked_amine_1_m454_14.mol2 │ ├── ranked_amine_1_m454_15.mol2 │ ├── ranked_amine_1_m454_16.mol2 │ ├── ranked_amine_1_m454_17.mol2 │ ├── ranked_amine_1_m454_18.mol2 │ ├── ranked_amine_1_m454_19.mol2 │ ├── ranked_amine_1_m454_2.mol2 │ ├── ranked_amine_1_m454_20.mol2 │ ├── ranked_amine_1_m454_3.mol2 │ ├── ranked_amine_1_m454_4.mol2 │ ├── ranked_amine_1_m454_5.mol2 │ ├── ranked_amine_1_m454_6.mol2 │ ├── ranked_amine_1_m454_7.mol2 │ ├── ranked_amine_1_m454_8.mol2 │ └── ranked_amine_1_m454_9.mol2 ├── amine_1_m527 │ ├── amine_1_m527.rnk │ ├── gold_amine_1_m527.log │ ├── gold_amine_1_m527.mol2 │ ├── gold_soln_amine_1_m527_1.mol2 │ ├── gold_soln_amine_1_m527_10.mol2 │ ├── gold_soln_amine_1_m527_11.mol2 │ ├── gold_soln_amine_1_m527_12.mol2 │ ├── gold_soln_amine_1_m527_13.mol2 │ ├── gold_soln_amine_1_m527_14.mol2 │ ├── gold_soln_amine_1_m527_15.mol2 │ ├── gold_soln_amine_1_m527_16.mol2 │ ├── gold_soln_amine_1_m527_17.mol2 │ ├── gold_soln_amine_1_m527_18.mol2 │ ├── gold_soln_amine_1_m527_19.mol2 │ ├── gold_soln_amine_1_m527_2.mol2 │ ├── gold_soln_amine_1_m527_20.mol2 │ ├── gold_soln_amine_1_m527_3.mol2 │ ├── gold_soln_amine_1_m527_4.mol2 │ ├── gold_soln_amine_1_m527_5.mol2 │ ├── gold_soln_amine_1_m527_6.mol2 │ ├── gold_soln_amine_1_m527_7.mol2 │ ├── gold_soln_amine_1_m527_8.mol2 │ ├── gold_soln_amine_1_m527_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m527_1.mol2 │ ├── ranked_amine_1_m527_10.mol2 │ ├── ranked_amine_1_m527_11.mol2 │ ├── ranked_amine_1_m527_12.mol2 │ ├── ranked_amine_1_m527_13.mol2 │ ├── ranked_amine_1_m527_14.mol2 │ ├── ranked_amine_1_m527_15.mol2 │ ├── ranked_amine_1_m527_16.mol2 │ ├── ranked_amine_1_m527_17.mol2 │ ├── ranked_amine_1_m527_18.mol2 │ ├── ranked_amine_1_m527_19.mol2 │ ├── ranked_amine_1_m527_2.mol2 │ ├── ranked_amine_1_m527_20.mol2 │ ├── ranked_amine_1_m527_3.mol2 │ ├── ranked_amine_1_m527_4.mol2 │ ├── ranked_amine_1_m527_5.mol2 │ ├── ranked_amine_1_m527_6.mol2 │ ├── ranked_amine_1_m527_7.mol2 │ ├── ranked_amine_1_m527_8.mol2 │ └── ranked_amine_1_m527_9.mol2 ├── amine_1_m584 │ ├── amine_1_m584.rnk │ ├── gold_amine_1_m584.log │ ├── gold_amine_1_m584.mol2 │ ├── gold_soln_amine_1_m584_1.mol2 │ ├── gold_soln_amine_1_m584_10.mol2 │ ├── gold_soln_amine_1_m584_11.mol2 │ ├── gold_soln_amine_1_m584_12.mol2 │ ├── gold_soln_amine_1_m584_13.mol2 │ ├── gold_soln_amine_1_m584_14.mol2 │ ├── gold_soln_amine_1_m584_15.mol2 │ ├── gold_soln_amine_1_m584_16.mol2 │ ├── gold_soln_amine_1_m584_17.mol2 │ ├── gold_soln_amine_1_m584_18.mol2 │ ├── gold_soln_amine_1_m584_19.mol2 │ ├── gold_soln_amine_1_m584_2.mol2 │ ├── gold_soln_amine_1_m584_20.mol2 │ ├── gold_soln_amine_1_m584_3.mol2 │ ├── gold_soln_amine_1_m584_4.mol2 │ ├── gold_soln_amine_1_m584_5.mol2 │ ├── gold_soln_amine_1_m584_6.mol2 │ ├── gold_soln_amine_1_m584_7.mol2 │ ├── gold_soln_amine_1_m584_8.mol2 │ ├── gold_soln_amine_1_m584_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m584_1.mol2 │ ├── ranked_amine_1_m584_10.mol2 │ ├── ranked_amine_1_m584_11.mol2 │ ├── ranked_amine_1_m584_12.mol2 │ ├── ranked_amine_1_m584_13.mol2 │ ├── ranked_amine_1_m584_14.mol2 │ ├── ranked_amine_1_m584_15.mol2 │ ├── ranked_amine_1_m584_16.mol2 │ ├── ranked_amine_1_m584_17.mol2 │ ├── ranked_amine_1_m584_18.mol2 │ ├── ranked_amine_1_m584_19.mol2 │ ├── ranked_amine_1_m584_2.mol2 │ ├── ranked_amine_1_m584_20.mol2 │ ├── ranked_amine_1_m584_3.mol2 │ ├── ranked_amine_1_m584_4.mol2 │ ├── ranked_amine_1_m584_5.mol2 │ ├── ranked_amine_1_m584_6.mol2 │ ├── ranked_amine_1_m584_7.mol2 │ ├── ranked_amine_1_m584_8.mol2 │ └── ranked_amine_1_m584_9.mol2 ├── amine_1_m667 │ ├── amine_1_m667.rnk │ ├── gold_amine_1_m667.log │ ├── gold_amine_1_m667.mol2 │ ├── gold_soln_amine_1_m667_1.mol2 │ ├── gold_soln_amine_1_m667_10.mol2 │ ├── gold_soln_amine_1_m667_11.mol2 │ ├── gold_soln_amine_1_m667_12.mol2 │ ├── gold_soln_amine_1_m667_13.mol2 │ ├── gold_soln_amine_1_m667_14.mol2 │ ├── gold_soln_amine_1_m667_15.mol2 │ ├── gold_soln_amine_1_m667_16.mol2 │ ├── gold_soln_amine_1_m667_17.mol2 │ ├── gold_soln_amine_1_m667_18.mol2 │ ├── gold_soln_amine_1_m667_19.mol2 │ ├── gold_soln_amine_1_m667_2.mol2 │ ├── gold_soln_amine_1_m667_20.mol2 │ ├── gold_soln_amine_1_m667_3.mol2 │ ├── gold_soln_amine_1_m667_4.mol2 │ ├── gold_soln_amine_1_m667_5.mol2 │ ├── gold_soln_amine_1_m667_6.mol2 │ ├── gold_soln_amine_1_m667_7.mol2 │ ├── gold_soln_amine_1_m667_8.mol2 │ ├── gold_soln_amine_1_m667_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m667_1.mol2 │ ├── ranked_amine_1_m667_10.mol2 │ ├── ranked_amine_1_m667_11.mol2 │ ├── ranked_amine_1_m667_12.mol2 │ ├── ranked_amine_1_m667_13.mol2 │ ├── ranked_amine_1_m667_14.mol2 │ ├── ranked_amine_1_m667_15.mol2 │ ├── ranked_amine_1_m667_16.mol2 │ ├── ranked_amine_1_m667_17.mol2 │ ├── ranked_amine_1_m667_18.mol2 │ ├── ranked_amine_1_m667_19.mol2 │ ├── ranked_amine_1_m667_2.mol2 │ ├── ranked_amine_1_m667_20.mol2 │ ├── ranked_amine_1_m667_3.mol2 │ ├── ranked_amine_1_m667_4.mol2 │ ├── ranked_amine_1_m667_5.mol2 │ ├── ranked_amine_1_m667_6.mol2 │ ├── ranked_amine_1_m667_7.mol2 │ ├── ranked_amine_1_m667_8.mol2 │ └── ranked_amine_1_m667_9.mol2 ├── amine_1_m734 │ ├── amine_1_m734.rnk │ ├── gold_amine_1_m734.log │ ├── gold_amine_1_m734.mol2 │ ├── gold_soln_amine_1_m734_1.mol2 │ ├── gold_soln_amine_1_m734_10.mol2 │ ├── gold_soln_amine_1_m734_11.mol2 │ ├── gold_soln_amine_1_m734_12.mol2 │ ├── gold_soln_amine_1_m734_13.mol2 │ ├── gold_soln_amine_1_m734_14.mol2 │ ├── gold_soln_amine_1_m734_15.mol2 │ ├── gold_soln_amine_1_m734_16.mol2 │ ├── gold_soln_amine_1_m734_17.mol2 │ ├── gold_soln_amine_1_m734_18.mol2 │ ├── gold_soln_amine_1_m734_19.mol2 │ ├── gold_soln_amine_1_m734_2.mol2 │ ├── gold_soln_amine_1_m734_20.mol2 │ ├── gold_soln_amine_1_m734_3.mol2 │ ├── gold_soln_amine_1_m734_4.mol2 │ ├── gold_soln_amine_1_m734_5.mol2 │ ├── gold_soln_amine_1_m734_6.mol2 │ ├── gold_soln_amine_1_m734_7.mol2 │ ├── gold_soln_amine_1_m734_8.mol2 │ ├── gold_soln_amine_1_m734_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m734_1.mol2 │ ├── ranked_amine_1_m734_10.mol2 │ ├── ranked_amine_1_m734_11.mol2 │ ├── ranked_amine_1_m734_12.mol2 │ ├── ranked_amine_1_m734_13.mol2 │ ├── ranked_amine_1_m734_14.mol2 │ ├── ranked_amine_1_m734_15.mol2 │ ├── ranked_amine_1_m734_16.mol2 │ ├── ranked_amine_1_m734_17.mol2 │ ├── ranked_amine_1_m734_18.mol2 │ ├── ranked_amine_1_m734_19.mol2 │ ├── ranked_amine_1_m734_2.mol2 │ ├── ranked_amine_1_m734_20.mol2 │ ├── ranked_amine_1_m734_3.mol2 │ ├── ranked_amine_1_m734_4.mol2 │ ├── ranked_amine_1_m734_5.mol2 │ ├── ranked_amine_1_m734_6.mol2 │ ├── ranked_amine_1_m734_7.mol2 │ ├── ranked_amine_1_m734_8.mol2 │ └── ranked_amine_1_m734_9.mol2 ├── amine_1_m76 │ ├── amine_1_m76.rnk │ ├── gold_amine_1_m76.log │ ├── gold_amine_1_m76.mol2 │ ├── gold_soln_amine_1_m76_1.mol2 │ ├── gold_soln_amine_1_m76_10.mol2 │ ├── gold_soln_amine_1_m76_11.mol2 │ ├── gold_soln_amine_1_m76_12.mol2 │ ├── gold_soln_amine_1_m76_13.mol2 │ ├── gold_soln_amine_1_m76_14.mol2 │ ├── gold_soln_amine_1_m76_15.mol2 │ ├── gold_soln_amine_1_m76_16.mol2 │ ├── gold_soln_amine_1_m76_17.mol2 │ ├── gold_soln_amine_1_m76_18.mol2 │ ├── gold_soln_amine_1_m76_19.mol2 │ ├── gold_soln_amine_1_m76_2.mol2 │ ├── gold_soln_amine_1_m76_20.mol2 │ ├── gold_soln_amine_1_m76_3.mol2 │ ├── gold_soln_amine_1_m76_4.mol2 │ ├── gold_soln_amine_1_m76_5.mol2 │ ├── gold_soln_amine_1_m76_6.mol2 │ ├── gold_soln_amine_1_m76_7.mol2 │ ├── gold_soln_amine_1_m76_8.mol2 │ ├── gold_soln_amine_1_m76_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m76_1.mol2 │ ├── ranked_amine_1_m76_10.mol2 │ ├── ranked_amine_1_m76_11.mol2 │ ├── ranked_amine_1_m76_12.mol2 │ ├── ranked_amine_1_m76_13.mol2 │ ├── ranked_amine_1_m76_14.mol2 │ ├── ranked_amine_1_m76_15.mol2 │ ├── ranked_amine_1_m76_16.mol2 │ ├── ranked_amine_1_m76_17.mol2 │ ├── ranked_amine_1_m76_18.mol2 │ ├── ranked_amine_1_m76_19.mol2 │ ├── ranked_amine_1_m76_2.mol2 │ ├── ranked_amine_1_m76_20.mol2 │ ├── ranked_amine_1_m76_3.mol2 │ ├── ranked_amine_1_m76_4.mol2 │ ├── ranked_amine_1_m76_5.mol2 │ ├── ranked_amine_1_m76_6.mol2 │ ├── ranked_amine_1_m76_7.mol2 │ ├── ranked_amine_1_m76_8.mol2 │ └── ranked_amine_1_m76_9.mol2 ├── amine_1_m818 │ ├── amine_1_m818.rnk │ ├── gold_amine_1_m818.log │ ├── gold_amine_1_m818.mol2 │ ├── gold_soln_amine_1_m818_1.mol2 │ ├── gold_soln_amine_1_m818_10.mol2 │ ├── gold_soln_amine_1_m818_11.mol2 │ ├── gold_soln_amine_1_m818_12.mol2 │ ├── gold_soln_amine_1_m818_13.mol2 │ ├── gold_soln_amine_1_m818_14.mol2 │ ├── gold_soln_amine_1_m818_15.mol2 │ ├── gold_soln_amine_1_m818_16.mol2 │ ├── gold_soln_amine_1_m818_17.mol2 │ ├── gold_soln_amine_1_m818_18.mol2 │ ├── gold_soln_amine_1_m818_19.mol2 │ ├── gold_soln_amine_1_m818_2.mol2 │ ├── gold_soln_amine_1_m818_20.mol2 │ ├── gold_soln_amine_1_m818_3.mol2 │ ├── gold_soln_amine_1_m818_4.mol2 │ ├── gold_soln_amine_1_m818_5.mol2 │ ├── gold_soln_amine_1_m818_6.mol2 │ ├── gold_soln_amine_1_m818_7.mol2 │ ├── gold_soln_amine_1_m818_8.mol2 │ ├── gold_soln_amine_1_m818_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m818_1.mol2 │ ├── ranked_amine_1_m818_10.mol2 │ ├── ranked_amine_1_m818_11.mol2 │ ├── ranked_amine_1_m818_12.mol2 │ ├── ranked_amine_1_m818_13.mol2 │ ├── ranked_amine_1_m818_14.mol2 │ ├── ranked_amine_1_m818_15.mol2 │ ├── ranked_amine_1_m818_16.mol2 │ ├── ranked_amine_1_m818_17.mol2 │ ├── ranked_amine_1_m818_18.mol2 │ ├── ranked_amine_1_m818_19.mol2 │ ├── ranked_amine_1_m818_2.mol2 │ ├── ranked_amine_1_m818_20.mol2 │ ├── ranked_amine_1_m818_3.mol2 │ ├── ranked_amine_1_m818_4.mol2 │ ├── ranked_amine_1_m818_5.mol2 │ ├── ranked_amine_1_m818_6.mol2 │ ├── ranked_amine_1_m818_7.mol2 │ ├── ranked_amine_1_m818_8.mol2 │ └── ranked_amine_1_m818_9.mol2 ├── amine_1_m884 │ ├── amine_1_m884.rnk │ ├── gold_amine_1_m884.log │ ├── gold_amine_1_m884.mol2 │ ├── gold_soln_amine_1_m884_1.mol2 │ ├── gold_soln_amine_1_m884_10.mol2 │ ├── gold_soln_amine_1_m884_11.mol2 │ ├── gold_soln_amine_1_m884_12.mol2 │ ├── gold_soln_amine_1_m884_13.mol2 │ ├── gold_soln_amine_1_m884_14.mol2 │ ├── gold_soln_amine_1_m884_15.mol2 │ ├── gold_soln_amine_1_m884_16.mol2 │ ├── gold_soln_amine_1_m884_17.mol2 │ ├── gold_soln_amine_1_m884_18.mol2 │ ├── gold_soln_amine_1_m884_19.mol2 │ ├── gold_soln_amine_1_m884_2.mol2 │ ├── gold_soln_amine_1_m884_20.mol2 │ ├── gold_soln_amine_1_m884_3.mol2 │ ├── gold_soln_amine_1_m884_4.mol2 │ ├── gold_soln_amine_1_m884_5.mol2 │ ├── gold_soln_amine_1_m884_6.mol2 │ ├── gold_soln_amine_1_m884_7.mol2 │ ├── gold_soln_amine_1_m884_8.mol2 │ ├── gold_soln_amine_1_m884_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m884_1.mol2 │ ├── ranked_amine_1_m884_10.mol2 │ ├── ranked_amine_1_m884_11.mol2 │ ├── ranked_amine_1_m884_12.mol2 │ ├── ranked_amine_1_m884_13.mol2 │ ├── ranked_amine_1_m884_14.mol2 │ ├── ranked_amine_1_m884_15.mol2 │ ├── ranked_amine_1_m884_16.mol2 │ ├── ranked_amine_1_m884_17.mol2 │ ├── ranked_amine_1_m884_18.mol2 │ ├── ranked_amine_1_m884_19.mol2 │ ├── ranked_amine_1_m884_2.mol2 │ ├── ranked_amine_1_m884_20.mol2 │ ├── ranked_amine_1_m884_3.mol2 │ ├── ranked_amine_1_m884_4.mol2 │ ├── ranked_amine_1_m884_5.mol2 │ ├── ranked_amine_1_m884_6.mol2 │ ├── ranked_amine_1_m884_7.mol2 │ ├── ranked_amine_1_m884_8.mol2 │ └── ranked_amine_1_m884_9.mol2 ├── amine_1_m952 │ ├── amine_1_m952.rnk │ ├── gold_amine_1_m952.log │ ├── gold_amine_1_m952.mol2 │ ├── gold_soln_amine_1_m952_1.mol2 │ ├── gold_soln_amine_1_m952_10.mol2 │ ├── gold_soln_amine_1_m952_11.mol2 │ ├── gold_soln_amine_1_m952_12.mol2 │ ├── gold_soln_amine_1_m952_13.mol2 │ ├── gold_soln_amine_1_m952_14.mol2 │ ├── gold_soln_amine_1_m952_15.mol2 │ ├── gold_soln_amine_1_m952_16.mol2 │ ├── gold_soln_amine_1_m952_17.mol2 │ ├── gold_soln_amine_1_m952_18.mol2 │ ├── gold_soln_amine_1_m952_19.mol2 │ ├── gold_soln_amine_1_m952_2.mol2 │ ├── gold_soln_amine_1_m952_20.mol2 │ ├── gold_soln_amine_1_m952_3.mol2 │ ├── gold_soln_amine_1_m952_4.mol2 │ ├── gold_soln_amine_1_m952_5.mol2 │ ├── gold_soln_amine_1_m952_6.mol2 │ ├── gold_soln_amine_1_m952_7.mol2 │ ├── gold_soln_amine_1_m952_8.mol2 │ ├── gold_soln_amine_1_m952_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m952_1.mol2 │ ├── ranked_amine_1_m952_10.mol2 │ ├── ranked_amine_1_m952_11.mol2 │ ├── ranked_amine_1_m952_12.mol2 │ ├── ranked_amine_1_m952_13.mol2 │ ├── ranked_amine_1_m952_14.mol2 │ ├── ranked_amine_1_m952_15.mol2 │ ├── ranked_amine_1_m952_16.mol2 │ ├── ranked_amine_1_m952_17.mol2 │ ├── ranked_amine_1_m952_18.mol2 │ ├── ranked_amine_1_m952_19.mol2 │ ├── ranked_amine_1_m952_2.mol2 │ ├── ranked_amine_1_m952_20.mol2 │ ├── ranked_amine_1_m952_3.mol2 │ ├── ranked_amine_1_m952_4.mol2 │ ├── ranked_amine_1_m952_5.mol2 │ ├── ranked_amine_1_m952_6.mol2 │ ├── ranked_amine_1_m952_7.mol2 │ ├── ranked_amine_1_m952_8.mol2 │ └── ranked_amine_1_m952_9.mol2 ├── amine_1_m960 │ ├── amine_1_m960.rnk │ ├── gold_amine_1_m960.log │ ├── gold_amine_1_m960.mol2 │ ├── gold_soln_amine_1_m960_1.mol2 │ ├── gold_soln_amine_1_m960_10.mol2 │ ├── gold_soln_amine_1_m960_11.mol2 │ ├── gold_soln_amine_1_m960_12.mol2 │ ├── gold_soln_amine_1_m960_13.mol2 │ ├── gold_soln_amine_1_m960_14.mol2 │ ├── gold_soln_amine_1_m960_15.mol2 │ ├── gold_soln_amine_1_m960_16.mol2 │ ├── gold_soln_amine_1_m960_17.mol2 │ ├── gold_soln_amine_1_m960_18.mol2 │ ├── gold_soln_amine_1_m960_19.mol2 │ ├── gold_soln_amine_1_m960_2.mol2 │ ├── gold_soln_amine_1_m960_20.mol2 │ ├── gold_soln_amine_1_m960_3.mol2 │ ├── gold_soln_amine_1_m960_4.mol2 │ ├── gold_soln_amine_1_m960_5.mol2 │ ├── gold_soln_amine_1_m960_6.mol2 │ ├── gold_soln_amine_1_m960_7.mol2 │ ├── gold_soln_amine_1_m960_8.mol2 │ ├── gold_soln_amine_1_m960_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m960_1.mol2 │ ├── ranked_amine_1_m960_10.mol2 │ ├── ranked_amine_1_m960_11.mol2 │ ├── ranked_amine_1_m960_12.mol2 │ ├── ranked_amine_1_m960_13.mol2 │ ├── ranked_amine_1_m960_14.mol2 │ ├── ranked_amine_1_m960_15.mol2 │ ├── ranked_amine_1_m960_16.mol2 │ ├── ranked_amine_1_m960_17.mol2 │ ├── ranked_amine_1_m960_18.mol2 │ ├── ranked_amine_1_m960_19.mol2 │ ├── ranked_amine_1_m960_2.mol2 │ ├── ranked_amine_1_m960_20.mol2 │ ├── ranked_amine_1_m960_3.mol2 │ ├── ranked_amine_1_m960_4.mol2 │ ├── ranked_amine_1_m960_5.mol2 │ ├── ranked_amine_1_m960_6.mol2 │ ├── ranked_amine_1_m960_7.mol2 │ ├── ranked_amine_1_m960_8.mol2 │ └── ranked_amine_1_m960_9.mol2 ├── amine_1_m992 │ ├── amine_1_m992.rnk │ ├── gold_amine_1_m992.log │ ├── gold_amine_1_m992.mol2 │ ├── gold_soln_amine_1_m992_1.mol2 │ ├── gold_soln_amine_1_m992_10.mol2 │ ├── gold_soln_amine_1_m992_11.mol2 │ ├── gold_soln_amine_1_m992_12.mol2 │ ├── gold_soln_amine_1_m992_13.mol2 │ ├── gold_soln_amine_1_m992_14.mol2 │ ├── gold_soln_amine_1_m992_15.mol2 │ ├── gold_soln_amine_1_m992_16.mol2 │ ├── gold_soln_amine_1_m992_17.mol2 │ ├── gold_soln_amine_1_m992_18.mol2 │ ├── gold_soln_amine_1_m992_19.mol2 │ ├── gold_soln_amine_1_m992_2.mol2 │ ├── gold_soln_amine_1_m992_20.mol2 │ ├── gold_soln_amine_1_m992_3.mol2 │ ├── gold_soln_amine_1_m992_4.mol2 │ ├── gold_soln_amine_1_m992_5.mol2 │ ├── gold_soln_amine_1_m992_6.mol2 │ ├── gold_soln_amine_1_m992_7.mol2 │ ├── gold_soln_amine_1_m992_8.mol2 │ ├── gold_soln_amine_1_m992_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m992_1.mol2 │ ├── ranked_amine_1_m992_10.mol2 │ ├── ranked_amine_1_m992_11.mol2 │ ├── ranked_amine_1_m992_12.mol2 │ ├── ranked_amine_1_m992_13.mol2 │ ├── ranked_amine_1_m992_14.mol2 │ ├── ranked_amine_1_m992_15.mol2 │ ├── ranked_amine_1_m992_16.mol2 │ ├── ranked_amine_1_m992_17.mol2 │ ├── ranked_amine_1_m992_18.mol2 │ ├── ranked_amine_1_m992_19.mol2 │ ├── ranked_amine_1_m992_2.mol2 │ ├── ranked_amine_1_m992_20.mol2 │ ├── ranked_amine_1_m992_3.mol2 │ ├── ranked_amine_1_m992_4.mol2 │ ├── ranked_amine_1_m992_5.mol2 │ ├── ranked_amine_1_m992_6.mol2 │ ├── ranked_amine_1_m992_7.mol2 │ ├── ranked_amine_1_m992_8.mol2 │ └── ranked_amine_1_m992_9.mol2 ├── amine_1_m995 │ ├── amine_1_m995.rnk │ ├── gold_amine_1_m995.log │ ├── gold_amine_1_m995.mol2 │ ├── gold_soln_amine_1_m995_1.mol2 │ ├── gold_soln_amine_1_m995_10.mol2 │ ├── gold_soln_amine_1_m995_11.mol2 │ ├── gold_soln_amine_1_m995_12.mol2 │ ├── gold_soln_amine_1_m995_13.mol2 │ ├── gold_soln_amine_1_m995_14.mol2 │ ├── gold_soln_amine_1_m995_15.mol2 │ ├── gold_soln_amine_1_m995_16.mol2 │ ├── gold_soln_amine_1_m995_17.mol2 │ ├── gold_soln_amine_1_m995_18.mol2 │ ├── gold_soln_amine_1_m995_19.mol2 │ ├── gold_soln_amine_1_m995_2.mol2 │ ├── gold_soln_amine_1_m995_20.mol2 │ ├── gold_soln_amine_1_m995_3.mol2 │ ├── gold_soln_amine_1_m995_4.mol2 │ ├── gold_soln_amine_1_m995_5.mol2 │ ├── gold_soln_amine_1_m995_6.mol2 │ ├── gold_soln_amine_1_m995_7.mol2 │ ├── gold_soln_amine_1_m995_8.mol2 │ ├── gold_soln_amine_1_m995_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_1_m995_1.mol2 │ ├── ranked_amine_1_m995_10.mol2 │ ├── ranked_amine_1_m995_11.mol2 │ ├── ranked_amine_1_m995_12.mol2 │ ├── ranked_amine_1_m995_13.mol2 │ ├── ranked_amine_1_m995_14.mol2 │ ├── ranked_amine_1_m995_15.mol2 │ ├── ranked_amine_1_m995_16.mol2 │ ├── ranked_amine_1_m995_17.mol2 │ ├── ranked_amine_1_m995_18.mol2 │ ├── ranked_amine_1_m995_19.mol2 │ ├── ranked_amine_1_m995_2.mol2 │ ├── ranked_amine_1_m995_20.mol2 │ ├── ranked_amine_1_m995_3.mol2 │ ├── ranked_amine_1_m995_4.mol2 │ ├── ranked_amine_1_m995_5.mol2 │ ├── ranked_amine_1_m995_6.mol2 │ ├── ranked_amine_1_m995_7.mol2 │ ├── ranked_amine_1_m995_8.mol2 │ └── ranked_amine_1_m995_9.mol2 ├── amine_3_m1 │ ├── amine_3_m1.rnk │ ├── gold_amine_3_m1.log │ ├── gold_amine_3_m1.mol2 │ ├── gold_soln_amine_3_m1_1.mol2 │ ├── gold_soln_amine_3_m1_10.mol2 │ ├── gold_soln_amine_3_m1_11.mol2 │ ├── gold_soln_amine_3_m1_12.mol2 │ ├── gold_soln_amine_3_m1_13.mol2 │ ├── gold_soln_amine_3_m1_14.mol2 │ ├── gold_soln_amine_3_m1_15.mol2 │ ├── gold_soln_amine_3_m1_16.mol2 │ ├── gold_soln_amine_3_m1_17.mol2 │ ├── gold_soln_amine_3_m1_18.mol2 │ ├── gold_soln_amine_3_m1_19.mol2 │ ├── gold_soln_amine_3_m1_2.mol2 │ ├── gold_soln_amine_3_m1_20.mol2 │ ├── gold_soln_amine_3_m1_3.mol2 │ ├── gold_soln_amine_3_m1_4.mol2 │ ├── gold_soln_amine_3_m1_5.mol2 │ ├── gold_soln_amine_3_m1_6.mol2 │ ├── gold_soln_amine_3_m1_7.mol2 │ ├── gold_soln_amine_3_m1_8.mol2 │ ├── gold_soln_amine_3_m1_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m1_1.mol2 │ ├── ranked_amine_3_m1_10.mol2 │ ├── ranked_amine_3_m1_11.mol2 │ ├── ranked_amine_3_m1_12.mol2 │ ├── ranked_amine_3_m1_13.mol2 │ ├── ranked_amine_3_m1_14.mol2 │ ├── ranked_amine_3_m1_15.mol2 │ ├── ranked_amine_3_m1_16.mol2 │ ├── ranked_amine_3_m1_17.mol2 │ ├── ranked_amine_3_m1_18.mol2 │ ├── ranked_amine_3_m1_19.mol2 │ ├── ranked_amine_3_m1_2.mol2 │ ├── ranked_amine_3_m1_20.mol2 │ ├── ranked_amine_3_m1_3.mol2 │ ├── ranked_amine_3_m1_4.mol2 │ ├── ranked_amine_3_m1_5.mol2 │ ├── ranked_amine_3_m1_6.mol2 │ ├── ranked_amine_3_m1_7.mol2 │ ├── ranked_amine_3_m1_8.mol2 │ └── ranked_amine_3_m1_9.mol2 ├── amine_3_m25 │ ├── amine_3_m25.rnk │ ├── gold_amine_3_m25.log │ ├── gold_amine_3_m25.mol2 │ ├── gold_soln_amine_3_m25_1.mol2 │ ├── gold_soln_amine_3_m25_10.mol2 │ ├── gold_soln_amine_3_m25_11.mol2 │ ├── gold_soln_amine_3_m25_12.mol2 │ ├── gold_soln_amine_3_m25_13.mol2 │ ├── gold_soln_amine_3_m25_14.mol2 │ ├── gold_soln_amine_3_m25_15.mol2 │ ├── gold_soln_amine_3_m25_16.mol2 │ ├── gold_soln_amine_3_m25_17.mol2 │ ├── gold_soln_amine_3_m25_18.mol2 │ ├── gold_soln_amine_3_m25_19.mol2 │ ├── gold_soln_amine_3_m25_2.mol2 │ ├── gold_soln_amine_3_m25_20.mol2 │ ├── gold_soln_amine_3_m25_3.mol2 │ ├── gold_soln_amine_3_m25_4.mol2 │ ├── gold_soln_amine_3_m25_5.mol2 │ ├── gold_soln_amine_3_m25_6.mol2 │ ├── gold_soln_amine_3_m25_7.mol2 │ ├── gold_soln_amine_3_m25_8.mol2 │ ├── gold_soln_amine_3_m25_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m25_1.mol2 │ ├── ranked_amine_3_m25_10.mol2 │ ├── ranked_amine_3_m25_11.mol2 │ ├── ranked_amine_3_m25_12.mol2 │ ├── ranked_amine_3_m25_13.mol2 │ ├── ranked_amine_3_m25_14.mol2 │ ├── ranked_amine_3_m25_15.mol2 │ ├── ranked_amine_3_m25_16.mol2 │ ├── ranked_amine_3_m25_17.mol2 │ ├── ranked_amine_3_m25_18.mol2 │ ├── ranked_amine_3_m25_19.mol2 │ ├── ranked_amine_3_m25_2.mol2 │ ├── ranked_amine_3_m25_20.mol2 │ ├── ranked_amine_3_m25_3.mol2 │ ├── ranked_amine_3_m25_4.mol2 │ ├── ranked_amine_3_m25_5.mol2 │ ├── ranked_amine_3_m25_6.mol2 │ ├── ranked_amine_3_m25_7.mol2 │ ├── ranked_amine_3_m25_8.mol2 │ └── ranked_amine_3_m25_9.mol2 ├── amine_3_m3604 │ ├── amine_3_m3604.rnk │ ├── gold_amine_3_m3604.log │ ├── gold_amine_3_m3604.mol2 │ ├── gold_soln_amine_3_m3604_1.mol2 │ ├── gold_soln_amine_3_m3604_10.mol2 │ ├── gold_soln_amine_3_m3604_11.mol2 │ ├── gold_soln_amine_3_m3604_12.mol2 │ ├── gold_soln_amine_3_m3604_13.mol2 │ ├── gold_soln_amine_3_m3604_14.mol2 │ ├── gold_soln_amine_3_m3604_15.mol2 │ ├── gold_soln_amine_3_m3604_16.mol2 │ ├── gold_soln_amine_3_m3604_17.mol2 │ ├── gold_soln_amine_3_m3604_18.mol2 │ ├── gold_soln_amine_3_m3604_19.mol2 │ ├── gold_soln_amine_3_m3604_2.mol2 │ ├── gold_soln_amine_3_m3604_20.mol2 │ ├── gold_soln_amine_3_m3604_3.mol2 │ ├── gold_soln_amine_3_m3604_4.mol2 │ ├── gold_soln_amine_3_m3604_5.mol2 │ ├── gold_soln_amine_3_m3604_6.mol2 │ ├── gold_soln_amine_3_m3604_7.mol2 │ ├── gold_soln_amine_3_m3604_8.mol2 │ ├── gold_soln_amine_3_m3604_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m3604_1.mol2 │ ├── ranked_amine_3_m3604_10.mol2 │ ├── ranked_amine_3_m3604_11.mol2 │ ├── ranked_amine_3_m3604_12.mol2 │ ├── ranked_amine_3_m3604_13.mol2 │ ├── ranked_amine_3_m3604_14.mol2 │ ├── ranked_amine_3_m3604_15.mol2 │ ├── ranked_amine_3_m3604_16.mol2 │ ├── ranked_amine_3_m3604_17.mol2 │ ├── ranked_amine_3_m3604_18.mol2 │ ├── ranked_amine_3_m3604_19.mol2 │ ├── ranked_amine_3_m3604_2.mol2 │ ├── ranked_amine_3_m3604_20.mol2 │ ├── ranked_amine_3_m3604_3.mol2 │ ├── ranked_amine_3_m3604_4.mol2 │ ├── ranked_amine_3_m3604_5.mol2 │ ├── ranked_amine_3_m3604_6.mol2 │ ├── ranked_amine_3_m3604_7.mol2 │ ├── ranked_amine_3_m3604_8.mol2 │ └── ranked_amine_3_m3604_9.mol2 ├── amine_3_m3696 │ ├── amine_3_m3696.rnk │ ├── gold_amine_3_m3696.log │ ├── gold_amine_3_m3696.mol2 │ ├── gold_soln_amine_3_m3696_1.mol2 │ ├── gold_soln_amine_3_m3696_10.mol2 │ ├── gold_soln_amine_3_m3696_11.mol2 │ ├── gold_soln_amine_3_m3696_12.mol2 │ ├── gold_soln_amine_3_m3696_13.mol2 │ ├── gold_soln_amine_3_m3696_14.mol2 │ ├── gold_soln_amine_3_m3696_15.mol2 │ ├── gold_soln_amine_3_m3696_16.mol2 │ ├── gold_soln_amine_3_m3696_17.mol2 │ ├── gold_soln_amine_3_m3696_18.mol2 │ ├── gold_soln_amine_3_m3696_19.mol2 │ ├── gold_soln_amine_3_m3696_2.mol2 │ ├── gold_soln_amine_3_m3696_20.mol2 │ ├── gold_soln_amine_3_m3696_3.mol2 │ ├── gold_soln_amine_3_m3696_4.mol2 │ ├── gold_soln_amine_3_m3696_5.mol2 │ ├── gold_soln_amine_3_m3696_6.mol2 │ ├── gold_soln_amine_3_m3696_7.mol2 │ ├── gold_soln_amine_3_m3696_8.mol2 │ ├── gold_soln_amine_3_m3696_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m3696_1.mol2 │ ├── ranked_amine_3_m3696_10.mol2 │ ├── ranked_amine_3_m3696_11.mol2 │ ├── ranked_amine_3_m3696_12.mol2 │ ├── ranked_amine_3_m3696_13.mol2 │ ├── ranked_amine_3_m3696_14.mol2 │ ├── ranked_amine_3_m3696_15.mol2 │ ├── ranked_amine_3_m3696_16.mol2 │ ├── ranked_amine_3_m3696_17.mol2 │ ├── ranked_amine_3_m3696_18.mol2 │ ├── ranked_amine_3_m3696_19.mol2 │ ├── ranked_amine_3_m3696_2.mol2 │ ├── ranked_amine_3_m3696_20.mol2 │ ├── ranked_amine_3_m3696_3.mol2 │ ├── ranked_amine_3_m3696_4.mol2 │ ├── ranked_amine_3_m3696_5.mol2 │ ├── ranked_amine_3_m3696_6.mol2 │ ├── ranked_amine_3_m3696_7.mol2 │ ├── ranked_amine_3_m3696_8.mol2 │ └── ranked_amine_3_m3696_9.mol2 ├── amine_3_m3775 │ ├── amine_3_m3775.rnk │ ├── gold_amine_3_m3775.log │ ├── gold_amine_3_m3775.mol2 │ ├── gold_soln_amine_3_m3775_1.mol2 │ ├── gold_soln_amine_3_m3775_10.mol2 │ ├── gold_soln_amine_3_m3775_11.mol2 │ ├── gold_soln_amine_3_m3775_12.mol2 │ ├── gold_soln_amine_3_m3775_13.mol2 │ ├── gold_soln_amine_3_m3775_14.mol2 │ ├── gold_soln_amine_3_m3775_15.mol2 │ ├── gold_soln_amine_3_m3775_16.mol2 │ ├── gold_soln_amine_3_m3775_17.mol2 │ ├── gold_soln_amine_3_m3775_18.mol2 │ ├── gold_soln_amine_3_m3775_19.mol2 │ ├── gold_soln_amine_3_m3775_2.mol2 │ ├── gold_soln_amine_3_m3775_20.mol2 │ ├── gold_soln_amine_3_m3775_3.mol2 │ ├── gold_soln_amine_3_m3775_4.mol2 │ ├── gold_soln_amine_3_m3775_5.mol2 │ ├── gold_soln_amine_3_m3775_6.mol2 │ ├── gold_soln_amine_3_m3775_7.mol2 │ ├── gold_soln_amine_3_m3775_8.mol2 │ ├── gold_soln_amine_3_m3775_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m3775_1.mol2 │ ├── ranked_amine_3_m3775_10.mol2 │ ├── ranked_amine_3_m3775_11.mol2 │ ├── ranked_amine_3_m3775_12.mol2 │ ├── ranked_amine_3_m3775_13.mol2 │ ├── ranked_amine_3_m3775_14.mol2 │ ├── ranked_amine_3_m3775_15.mol2 │ ├── ranked_amine_3_m3775_16.mol2 │ ├── ranked_amine_3_m3775_17.mol2 │ ├── ranked_amine_3_m3775_18.mol2 │ ├── ranked_amine_3_m3775_19.mol2 │ ├── ranked_amine_3_m3775_2.mol2 │ ├── ranked_amine_3_m3775_20.mol2 │ ├── ranked_amine_3_m3775_3.mol2 │ ├── ranked_amine_3_m3775_4.mol2 │ ├── ranked_amine_3_m3775_5.mol2 │ ├── ranked_amine_3_m3775_6.mol2 │ ├── ranked_amine_3_m3775_7.mol2 │ ├── ranked_amine_3_m3775_8.mol2 │ └── ranked_amine_3_m3775_9.mol2 ├── amine_3_m3853 │ ├── amine_3_m3853.rnk │ ├── gold_amine_3_m3853.log │ ├── gold_amine_3_m3853.mol2 │ ├── gold_soln_amine_3_m3853_1.mol2 │ ├── gold_soln_amine_3_m3853_10.mol2 │ ├── gold_soln_amine_3_m3853_11.mol2 │ ├── gold_soln_amine_3_m3853_12.mol2 │ ├── gold_soln_amine_3_m3853_13.mol2 │ ├── gold_soln_amine_3_m3853_14.mol2 │ ├── gold_soln_amine_3_m3853_15.mol2 │ ├── gold_soln_amine_3_m3853_16.mol2 │ ├── gold_soln_amine_3_m3853_17.mol2 │ ├── gold_soln_amine_3_m3853_18.mol2 │ ├── gold_soln_amine_3_m3853_19.mol2 │ ├── gold_soln_amine_3_m3853_2.mol2 │ ├── gold_soln_amine_3_m3853_20.mol2 │ ├── gold_soln_amine_3_m3853_3.mol2 │ ├── gold_soln_amine_3_m3853_4.mol2 │ ├── gold_soln_amine_3_m3853_5.mol2 │ ├── gold_soln_amine_3_m3853_6.mol2 │ ├── gold_soln_amine_3_m3853_7.mol2 │ ├── gold_soln_amine_3_m3853_8.mol2 │ ├── gold_soln_amine_3_m3853_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m3853_1.mol2 │ ├── ranked_amine_3_m3853_10.mol2 │ ├── ranked_amine_3_m3853_11.mol2 │ ├── ranked_amine_3_m3853_12.mol2 │ ├── ranked_amine_3_m3853_13.mol2 │ ├── ranked_amine_3_m3853_14.mol2 │ ├── ranked_amine_3_m3853_15.mol2 │ ├── ranked_amine_3_m3853_16.mol2 │ ├── ranked_amine_3_m3853_17.mol2 │ ├── ranked_amine_3_m3853_18.mol2 │ ├── ranked_amine_3_m3853_19.mol2 │ ├── ranked_amine_3_m3853_2.mol2 │ ├── ranked_amine_3_m3853_20.mol2 │ ├── ranked_amine_3_m3853_3.mol2 │ ├── ranked_amine_3_m3853_4.mol2 │ ├── ranked_amine_3_m3853_5.mol2 │ ├── ranked_amine_3_m3853_6.mol2 │ ├── ranked_amine_3_m3853_7.mol2 │ ├── ranked_amine_3_m3853_8.mol2 │ └── ranked_amine_3_m3853_9.mol2 ├── amine_3_m3927 │ ├── amine_3_m3927.rnk │ ├── gold_amine_3_m3927.log │ ├── gold_amine_3_m3927.mol2 │ ├── gold_soln_amine_3_m3927_1.mol2 │ ├── gold_soln_amine_3_m3927_10.mol2 │ ├── gold_soln_amine_3_m3927_11.mol2 │ ├── gold_soln_amine_3_m3927_12.mol2 │ ├── gold_soln_amine_3_m3927_13.mol2 │ ├── gold_soln_amine_3_m3927_14.mol2 │ ├── gold_soln_amine_3_m3927_15.mol2 │ ├── gold_soln_amine_3_m3927_16.mol2 │ ├── gold_soln_amine_3_m3927_17.mol2 │ ├── gold_soln_amine_3_m3927_18.mol2 │ ├── gold_soln_amine_3_m3927_19.mol2 │ ├── gold_soln_amine_3_m3927_2.mol2 │ ├── gold_soln_amine_3_m3927_20.mol2 │ ├── gold_soln_amine_3_m3927_3.mol2 │ ├── gold_soln_amine_3_m3927_4.mol2 │ ├── gold_soln_amine_3_m3927_5.mol2 │ ├── gold_soln_amine_3_m3927_6.mol2 │ ├── gold_soln_amine_3_m3927_7.mol2 │ ├── gold_soln_amine_3_m3927_8.mol2 │ ├── gold_soln_amine_3_m3927_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m3927_1.mol2 │ ├── ranked_amine_3_m3927_10.mol2 │ ├── ranked_amine_3_m3927_11.mol2 │ ├── ranked_amine_3_m3927_12.mol2 │ ├── ranked_amine_3_m3927_13.mol2 │ ├── ranked_amine_3_m3927_14.mol2 │ ├── ranked_amine_3_m3927_15.mol2 │ ├── ranked_amine_3_m3927_16.mol2 │ ├── ranked_amine_3_m3927_17.mol2 │ ├── ranked_amine_3_m3927_18.mol2 │ ├── ranked_amine_3_m3927_19.mol2 │ ├── ranked_amine_3_m3927_2.mol2 │ ├── ranked_amine_3_m3927_20.mol2 │ ├── ranked_amine_3_m3927_3.mol2 │ ├── ranked_amine_3_m3927_4.mol2 │ ├── ranked_amine_3_m3927_5.mol2 │ ├── ranked_amine_3_m3927_6.mol2 │ ├── ranked_amine_3_m3927_7.mol2 │ ├── ranked_amine_3_m3927_8.mol2 │ └── ranked_amine_3_m3927_9.mol2 ├── amine_3_m4017 │ ├── amine_3_m4017.rnk │ ├── gold_amine_3_m4017.log │ ├── gold_amine_3_m4017.mol2 │ ├── gold_soln_amine_3_m4017_1.mol2 │ ├── gold_soln_amine_3_m4017_10.mol2 │ ├── gold_soln_amine_3_m4017_11.mol2 │ ├── gold_soln_amine_3_m4017_12.mol2 │ ├── gold_soln_amine_3_m4017_13.mol2 │ ├── gold_soln_amine_3_m4017_14.mol2 │ ├── gold_soln_amine_3_m4017_15.mol2 │ ├── gold_soln_amine_3_m4017_16.mol2 │ ├── gold_soln_amine_3_m4017_17.mol2 │ ├── gold_soln_amine_3_m4017_18.mol2 │ ├── gold_soln_amine_3_m4017_19.mol2 │ ├── gold_soln_amine_3_m4017_2.mol2 │ ├── gold_soln_amine_3_m4017_20.mol2 │ ├── gold_soln_amine_3_m4017_3.mol2 │ ├── gold_soln_amine_3_m4017_4.mol2 │ ├── gold_soln_amine_3_m4017_5.mol2 │ ├── gold_soln_amine_3_m4017_6.mol2 │ ├── gold_soln_amine_3_m4017_7.mol2 │ ├── gold_soln_amine_3_m4017_8.mol2 │ ├── gold_soln_amine_3_m4017_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m4017_1.mol2 │ ├── ranked_amine_3_m4017_10.mol2 │ ├── ranked_amine_3_m4017_11.mol2 │ ├── ranked_amine_3_m4017_12.mol2 │ ├── ranked_amine_3_m4017_13.mol2 │ ├── ranked_amine_3_m4017_14.mol2 │ ├── ranked_amine_3_m4017_15.mol2 │ ├── ranked_amine_3_m4017_16.mol2 │ ├── ranked_amine_3_m4017_17.mol2 │ ├── ranked_amine_3_m4017_18.mol2 │ ├── ranked_amine_3_m4017_19.mol2 │ ├── ranked_amine_3_m4017_2.mol2 │ ├── ranked_amine_3_m4017_20.mol2 │ ├── ranked_amine_3_m4017_3.mol2 │ ├── ranked_amine_3_m4017_4.mol2 │ ├── ranked_amine_3_m4017_5.mol2 │ ├── ranked_amine_3_m4017_6.mol2 │ ├── ranked_amine_3_m4017_7.mol2 │ ├── ranked_amine_3_m4017_8.mol2 │ └── ranked_amine_3_m4017_9.mol2 ├── amine_3_m4084 │ ├── amine_3_m4084.rnk │ ├── gold_amine_3_m4084.log │ ├── gold_amine_3_m4084.mol2 │ ├── gold_soln_amine_3_m4084_1.mol2 │ ├── gold_soln_amine_3_m4084_10.mol2 │ ├── gold_soln_amine_3_m4084_11.mol2 │ ├── gold_soln_amine_3_m4084_12.mol2 │ ├── gold_soln_amine_3_m4084_13.mol2 │ ├── gold_soln_amine_3_m4084_14.mol2 │ ├── gold_soln_amine_3_m4084_15.mol2 │ ├── gold_soln_amine_3_m4084_16.mol2 │ ├── gold_soln_amine_3_m4084_17.mol2 │ ├── gold_soln_amine_3_m4084_18.mol2 │ ├── gold_soln_amine_3_m4084_19.mol2 │ ├── gold_soln_amine_3_m4084_2.mol2 │ ├── gold_soln_amine_3_m4084_20.mol2 │ ├── gold_soln_amine_3_m4084_3.mol2 │ ├── gold_soln_amine_3_m4084_4.mol2 │ ├── gold_soln_amine_3_m4084_5.mol2 │ ├── gold_soln_amine_3_m4084_6.mol2 │ ├── gold_soln_amine_3_m4084_7.mol2 │ ├── gold_soln_amine_3_m4084_8.mol2 │ ├── gold_soln_amine_3_m4084_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m4084_1.mol2 │ ├── ranked_amine_3_m4084_10.mol2 │ ├── ranked_amine_3_m4084_11.mol2 │ ├── ranked_amine_3_m4084_12.mol2 │ ├── ranked_amine_3_m4084_13.mol2 │ ├── ranked_amine_3_m4084_14.mol2 │ ├── ranked_amine_3_m4084_15.mol2 │ ├── ranked_amine_3_m4084_16.mol2 │ ├── ranked_amine_3_m4084_17.mol2 │ ├── ranked_amine_3_m4084_18.mol2 │ ├── ranked_amine_3_m4084_19.mol2 │ ├── ranked_amine_3_m4084_2.mol2 │ ├── ranked_amine_3_m4084_20.mol2 │ ├── ranked_amine_3_m4084_3.mol2 │ ├── ranked_amine_3_m4084_4.mol2 │ ├── ranked_amine_3_m4084_5.mol2 │ ├── ranked_amine_3_m4084_6.mol2 │ ├── ranked_amine_3_m4084_7.mol2 │ ├── ranked_amine_3_m4084_8.mol2 │ └── ranked_amine_3_m4084_9.mol2 ├── amine_3_m4094 │ ├── amine_3_m4094.rnk │ ├── gold_amine_3_m4094.log │ ├── gold_amine_3_m4094.mol2 │ ├── gold_soln_amine_3_m4094_1.mol2 │ ├── gold_soln_amine_3_m4094_10.mol2 │ ├── gold_soln_amine_3_m4094_11.mol2 │ ├── gold_soln_amine_3_m4094_12.mol2 │ ├── gold_soln_amine_3_m4094_13.mol2 │ ├── gold_soln_amine_3_m4094_14.mol2 │ ├── gold_soln_amine_3_m4094_15.mol2 │ ├── gold_soln_amine_3_m4094_16.mol2 │ ├── gold_soln_amine_3_m4094_17.mol2 │ ├── gold_soln_amine_3_m4094_18.mol2 │ ├── gold_soln_amine_3_m4094_19.mol2 │ ├── gold_soln_amine_3_m4094_2.mol2 │ ├── gold_soln_amine_3_m4094_20.mol2 │ ├── gold_soln_amine_3_m4094_3.mol2 │ ├── gold_soln_amine_3_m4094_4.mol2 │ ├── gold_soln_amine_3_m4094_5.mol2 │ ├── gold_soln_amine_3_m4094_6.mol2 │ ├── gold_soln_amine_3_m4094_7.mol2 │ ├── gold_soln_amine_3_m4094_8.mol2 │ ├── gold_soln_amine_3_m4094_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m4094_1.mol2 │ ├── ranked_amine_3_m4094_10.mol2 │ ├── ranked_amine_3_m4094_11.mol2 │ ├── ranked_amine_3_m4094_12.mol2 │ ├── ranked_amine_3_m4094_13.mol2 │ ├── ranked_amine_3_m4094_14.mol2 │ ├── ranked_amine_3_m4094_15.mol2 │ ├── ranked_amine_3_m4094_16.mol2 │ ├── ranked_amine_3_m4094_17.mol2 │ ├── ranked_amine_3_m4094_18.mol2 │ ├── ranked_amine_3_m4094_19.mol2 │ ├── ranked_amine_3_m4094_2.mol2 │ ├── ranked_amine_3_m4094_20.mol2 │ ├── ranked_amine_3_m4094_3.mol2 │ ├── ranked_amine_3_m4094_4.mol2 │ ├── ranked_amine_3_m4094_5.mol2 │ ├── ranked_amine_3_m4094_6.mol2 │ ├── ranked_amine_3_m4094_7.mol2 │ ├── ranked_amine_3_m4094_8.mol2 │ └── ranked_amine_3_m4094_9.mol2 ├── amine_3_m95 │ ├── amine_3_m95.rnk │ ├── gold_amine_3_m95.log │ ├── gold_amine_3_m95.mol2 │ ├── gold_soln_amine_3_m95_1.mol2 │ ├── gold_soln_amine_3_m95_10.mol2 │ ├── gold_soln_amine_3_m95_11.mol2 │ ├── gold_soln_amine_3_m95_12.mol2 │ ├── gold_soln_amine_3_m95_13.mol2 │ ├── gold_soln_amine_3_m95_14.mol2 │ ├── gold_soln_amine_3_m95_15.mol2 │ ├── gold_soln_amine_3_m95_16.mol2 │ ├── gold_soln_amine_3_m95_17.mol2 │ ├── gold_soln_amine_3_m95_18.mol2 │ ├── gold_soln_amine_3_m95_19.mol2 │ ├── gold_soln_amine_3_m95_2.mol2 │ ├── gold_soln_amine_3_m95_20.mol2 │ ├── gold_soln_amine_3_m95_3.mol2 │ ├── gold_soln_amine_3_m95_4.mol2 │ ├── gold_soln_amine_3_m95_5.mol2 │ ├── gold_soln_amine_3_m95_6.mol2 │ ├── gold_soln_amine_3_m95_7.mol2 │ ├── gold_soln_amine_3_m95_8.mol2 │ ├── gold_soln_amine_3_m95_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m95_1.mol2 │ ├── ranked_amine_3_m95_10.mol2 │ ├── ranked_amine_3_m95_11.mol2 │ ├── ranked_amine_3_m95_12.mol2 │ ├── ranked_amine_3_m95_13.mol2 │ ├── ranked_amine_3_m95_14.mol2 │ ├── ranked_amine_3_m95_15.mol2 │ ├── ranked_amine_3_m95_16.mol2 │ ├── ranked_amine_3_m95_17.mol2 │ ├── ranked_amine_3_m95_18.mol2 │ ├── ranked_amine_3_m95_19.mol2 │ ├── ranked_amine_3_m95_2.mol2 │ ├── ranked_amine_3_m95_20.mol2 │ ├── ranked_amine_3_m95_3.mol2 │ ├── ranked_amine_3_m95_4.mol2 │ ├── ranked_amine_3_m95_5.mol2 │ ├── ranked_amine_3_m95_6.mol2 │ ├── ranked_amine_3_m95_7.mol2 │ ├── ranked_amine_3_m95_8.mol2 │ └── ranked_amine_3_m95_9.mol2 ├── amine_3_m99 │ ├── amine_3_m99.rnk │ ├── gold_amine_3_m99.log │ ├── gold_amine_3_m99.mol2 │ ├── gold_soln_amine_3_m99_1.mol2 │ ├── gold_soln_amine_3_m99_10.mol2 │ ├── gold_soln_amine_3_m99_11.mol2 │ ├── gold_soln_amine_3_m99_12.mol2 │ ├── gold_soln_amine_3_m99_13.mol2 │ ├── gold_soln_amine_3_m99_14.mol2 │ ├── gold_soln_amine_3_m99_15.mol2 │ ├── gold_soln_amine_3_m99_16.mol2 │ ├── gold_soln_amine_3_m99_17.mol2 │ ├── gold_soln_amine_3_m99_18.mol2 │ ├── gold_soln_amine_3_m99_19.mol2 │ ├── gold_soln_amine_3_m99_2.mol2 │ ├── gold_soln_amine_3_m99_20.mol2 │ ├── gold_soln_amine_3_m99_3.mol2 │ ├── gold_soln_amine_3_m99_4.mol2 │ ├── gold_soln_amine_3_m99_5.mol2 │ ├── gold_soln_amine_3_m99_6.mol2 │ ├── gold_soln_amine_3_m99_7.mol2 │ ├── gold_soln_amine_3_m99_8.mol2 │ ├── gold_soln_amine_3_m99_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_amine_3_m99_1.mol2 │ ├── ranked_amine_3_m99_10.mol2 │ ├── ranked_amine_3_m99_11.mol2 │ ├── ranked_amine_3_m99_12.mol2 │ ├── ranked_amine_3_m99_13.mol2 │ ├── ranked_amine_3_m99_14.mol2 │ ├── ranked_amine_3_m99_15.mol2 │ ├── ranked_amine_3_m99_16.mol2 │ ├── ranked_amine_3_m99_17.mol2 │ ├── ranked_amine_3_m99_18.mol2 │ ├── ranked_amine_3_m99_19.mol2 │ ├── ranked_amine_3_m99_2.mol2 │ ├── ranked_amine_3_m99_20.mol2 │ ├── ranked_amine_3_m99_3.mol2 │ ├── ranked_amine_3_m99_4.mol2 │ ├── ranked_amine_3_m99_5.mol2 │ ├── ranked_amine_3_m99_6.mol2 │ ├── ranked_amine_3_m99_7.mol2 │ ├── ranked_amine_3_m99_8.mol2 │ └── ranked_amine_3_m99_9.mol2 ├── aminophenols_m1 │ ├── aminophenols_m1.rnk │ ├── gold_aminophenols_m1.log │ ├── gold_aminophenols_m1.mol2 │ ├── gold_soln_aminophenols_m1_1.mol2 │ ├── gold_soln_aminophenols_m1_10.mol2 │ ├── gold_soln_aminophenols_m1_11.mol2 │ ├── gold_soln_aminophenols_m1_12.mol2 │ ├── gold_soln_aminophenols_m1_13.mol2 │ ├── gold_soln_aminophenols_m1_14.mol2 │ ├── gold_soln_aminophenols_m1_15.mol2 │ ├── gold_soln_aminophenols_m1_16.mol2 │ ├── gold_soln_aminophenols_m1_17.mol2 │ ├── gold_soln_aminophenols_m1_18.mol2 │ ├── gold_soln_aminophenols_m1_19.mol2 │ ├── gold_soln_aminophenols_m1_2.mol2 │ ├── gold_soln_aminophenols_m1_20.mol2 │ ├── gold_soln_aminophenols_m1_3.mol2 │ ├── gold_soln_aminophenols_m1_4.mol2 │ ├── gold_soln_aminophenols_m1_5.mol2 │ ├── gold_soln_aminophenols_m1_6.mol2 │ ├── gold_soln_aminophenols_m1_7.mol2 │ ├── gold_soln_aminophenols_m1_8.mol2 │ ├── gold_soln_aminophenols_m1_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m1_1.mol2 │ ├── ranked_aminophenols_m1_10.mol2 │ ├── ranked_aminophenols_m1_11.mol2 │ ├── ranked_aminophenols_m1_12.mol2 │ ├── ranked_aminophenols_m1_13.mol2 │ ├── ranked_aminophenols_m1_14.mol2 │ ├── ranked_aminophenols_m1_15.mol2 │ ├── ranked_aminophenols_m1_16.mol2 │ ├── ranked_aminophenols_m1_17.mol2 │ ├── ranked_aminophenols_m1_18.mol2 │ ├── ranked_aminophenols_m1_19.mol2 │ ├── ranked_aminophenols_m1_2.mol2 │ ├── ranked_aminophenols_m1_20.mol2 │ ├── ranked_aminophenols_m1_3.mol2 │ ├── ranked_aminophenols_m1_4.mol2 │ ├── ranked_aminophenols_m1_5.mol2 │ ├── ranked_aminophenols_m1_6.mol2 │ ├── ranked_aminophenols_m1_7.mol2 │ ├── ranked_aminophenols_m1_8.mol2 │ └── ranked_aminophenols_m1_9.mol2 ├── aminophenols_m102 │ ├── aminophenols_m102.rnk │ ├── gold_aminophenols_m102.log │ ├── gold_aminophenols_m102.mol2 │ ├── gold_soln_aminophenols_m102_1.mol2 │ ├── gold_soln_aminophenols_m102_10.mol2 │ ├── gold_soln_aminophenols_m102_11.mol2 │ ├── gold_soln_aminophenols_m102_12.mol2 │ ├── gold_soln_aminophenols_m102_13.mol2 │ ├── gold_soln_aminophenols_m102_14.mol2 │ ├── gold_soln_aminophenols_m102_15.mol2 │ ├── gold_soln_aminophenols_m102_16.mol2 │ ├── gold_soln_aminophenols_m102_17.mol2 │ ├── gold_soln_aminophenols_m102_18.mol2 │ ├── gold_soln_aminophenols_m102_19.mol2 │ ├── gold_soln_aminophenols_m102_2.mol2 │ ├── gold_soln_aminophenols_m102_20.mol2 │ ├── gold_soln_aminophenols_m102_3.mol2 │ ├── gold_soln_aminophenols_m102_4.mol2 │ ├── gold_soln_aminophenols_m102_5.mol2 │ ├── gold_soln_aminophenols_m102_6.mol2 │ ├── gold_soln_aminophenols_m102_7.mol2 │ ├── gold_soln_aminophenols_m102_8.mol2 │ ├── gold_soln_aminophenols_m102_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m102_1.mol2 │ ├── ranked_aminophenols_m102_10.mol2 │ ├── ranked_aminophenols_m102_11.mol2 │ ├── ranked_aminophenols_m102_12.mol2 │ ├── ranked_aminophenols_m102_13.mol2 │ ├── ranked_aminophenols_m102_14.mol2 │ ├── ranked_aminophenols_m102_15.mol2 │ ├── ranked_aminophenols_m102_16.mol2 │ ├── ranked_aminophenols_m102_17.mol2 │ ├── ranked_aminophenols_m102_18.mol2 │ ├── ranked_aminophenols_m102_19.mol2 │ ├── ranked_aminophenols_m102_2.mol2 │ ├── ranked_aminophenols_m102_20.mol2 │ ├── ranked_aminophenols_m102_3.mol2 │ ├── ranked_aminophenols_m102_4.mol2 │ ├── ranked_aminophenols_m102_5.mol2 │ ├── ranked_aminophenols_m102_6.mol2 │ ├── ranked_aminophenols_m102_7.mol2 │ ├── ranked_aminophenols_m102_8.mol2 │ └── ranked_aminophenols_m102_9.mol2 ├── aminophenols_m116 │ ├── aminophenols_m116.rnk │ ├── gold_aminophenols_m116.log │ ├── gold_aminophenols_m116.mol2 │ ├── gold_soln_aminophenols_m116_1.mol2 │ ├── gold_soln_aminophenols_m116_10.mol2 │ ├── gold_soln_aminophenols_m116_11.mol2 │ ├── gold_soln_aminophenols_m116_12.mol2 │ ├── gold_soln_aminophenols_m116_13.mol2 │ ├── gold_soln_aminophenols_m116_14.mol2 │ ├── gold_soln_aminophenols_m116_15.mol2 │ ├── gold_soln_aminophenols_m116_16.mol2 │ ├── gold_soln_aminophenols_m116_17.mol2 │ ├── gold_soln_aminophenols_m116_18.mol2 │ ├── gold_soln_aminophenols_m116_19.mol2 │ ├── gold_soln_aminophenols_m116_2.mol2 │ ├── gold_soln_aminophenols_m116_20.mol2 │ ├── gold_soln_aminophenols_m116_3.mol2 │ ├── gold_soln_aminophenols_m116_4.mol2 │ ├── gold_soln_aminophenols_m116_5.mol2 │ ├── gold_soln_aminophenols_m116_6.mol2 │ ├── gold_soln_aminophenols_m116_7.mol2 │ ├── gold_soln_aminophenols_m116_8.mol2 │ ├── gold_soln_aminophenols_m116_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m116_1.mol2 │ ├── ranked_aminophenols_m116_10.mol2 │ ├── ranked_aminophenols_m116_11.mol2 │ ├── ranked_aminophenols_m116_12.mol2 │ ├── ranked_aminophenols_m116_13.mol2 │ ├── ranked_aminophenols_m116_14.mol2 │ ├── ranked_aminophenols_m116_15.mol2 │ ├── ranked_aminophenols_m116_16.mol2 │ ├── ranked_aminophenols_m116_17.mol2 │ ├── ranked_aminophenols_m116_18.mol2 │ ├── ranked_aminophenols_m116_19.mol2 │ ├── ranked_aminophenols_m116_2.mol2 │ ├── ranked_aminophenols_m116_20.mol2 │ ├── ranked_aminophenols_m116_3.mol2 │ ├── ranked_aminophenols_m116_4.mol2 │ ├── ranked_aminophenols_m116_5.mol2 │ ├── ranked_aminophenols_m116_6.mol2 │ ├── ranked_aminophenols_m116_7.mol2 │ ├── ranked_aminophenols_m116_8.mol2 │ └── ranked_aminophenols_m116_9.mol2 ├── aminophenols_m119 │ ├── aminophenols_m119.rnk │ ├── gold_aminophenols_m119.log │ ├── gold_aminophenols_m119.mol2 │ ├── gold_soln_aminophenols_m119_1.mol2 │ ├── gold_soln_aminophenols_m119_10.mol2 │ ├── gold_soln_aminophenols_m119_11.mol2 │ ├── gold_soln_aminophenols_m119_12.mol2 │ ├── gold_soln_aminophenols_m119_13.mol2 │ ├── gold_soln_aminophenols_m119_14.mol2 │ ├── gold_soln_aminophenols_m119_15.mol2 │ ├── gold_soln_aminophenols_m119_16.mol2 │ ├── gold_soln_aminophenols_m119_17.mol2 │ ├── gold_soln_aminophenols_m119_18.mol2 │ ├── gold_soln_aminophenols_m119_19.mol2 │ ├── gold_soln_aminophenols_m119_2.mol2 │ ├── gold_soln_aminophenols_m119_20.mol2 │ ├── gold_soln_aminophenols_m119_3.mol2 │ ├── gold_soln_aminophenols_m119_4.mol2 │ ├── gold_soln_aminophenols_m119_5.mol2 │ ├── gold_soln_aminophenols_m119_6.mol2 │ ├── gold_soln_aminophenols_m119_7.mol2 │ ├── gold_soln_aminophenols_m119_8.mol2 │ ├── gold_soln_aminophenols_m119_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m119_1.mol2 │ ├── ranked_aminophenols_m119_10.mol2 │ ├── ranked_aminophenols_m119_11.mol2 │ ├── ranked_aminophenols_m119_12.mol2 │ ├── ranked_aminophenols_m119_13.mol2 │ ├── ranked_aminophenols_m119_14.mol2 │ ├── ranked_aminophenols_m119_15.mol2 │ ├── ranked_aminophenols_m119_16.mol2 │ ├── ranked_aminophenols_m119_17.mol2 │ ├── ranked_aminophenols_m119_18.mol2 │ ├── ranked_aminophenols_m119_19.mol2 │ ├── ranked_aminophenols_m119_2.mol2 │ ├── ranked_aminophenols_m119_20.mol2 │ ├── ranked_aminophenols_m119_3.mol2 │ ├── ranked_aminophenols_m119_4.mol2 │ ├── ranked_aminophenols_m119_5.mol2 │ ├── ranked_aminophenols_m119_6.mol2 │ ├── ranked_aminophenols_m119_7.mol2 │ ├── ranked_aminophenols_m119_8.mol2 │ └── ranked_aminophenols_m119_9.mol2 ├── aminophenols_m120 │ ├── aminophenols_m120.rnk │ ├── gold_aminophenols_m120.log │ ├── gold_aminophenols_m120.mol2 │ ├── gold_soln_aminophenols_m120_1.mol2 │ ├── gold_soln_aminophenols_m120_10.mol2 │ ├── gold_soln_aminophenols_m120_11.mol2 │ ├── gold_soln_aminophenols_m120_12.mol2 │ ├── gold_soln_aminophenols_m120_13.mol2 │ ├── gold_soln_aminophenols_m120_14.mol2 │ ├── gold_soln_aminophenols_m120_15.mol2 │ ├── gold_soln_aminophenols_m120_16.mol2 │ ├── gold_soln_aminophenols_m120_17.mol2 │ ├── gold_soln_aminophenols_m120_18.mol2 │ ├── gold_soln_aminophenols_m120_19.mol2 │ ├── gold_soln_aminophenols_m120_2.mol2 │ ├── gold_soln_aminophenols_m120_20.mol2 │ ├── gold_soln_aminophenols_m120_3.mol2 │ ├── gold_soln_aminophenols_m120_4.mol2 │ ├── gold_soln_aminophenols_m120_5.mol2 │ ├── gold_soln_aminophenols_m120_6.mol2 │ ├── gold_soln_aminophenols_m120_7.mol2 │ ├── gold_soln_aminophenols_m120_8.mol2 │ ├── gold_soln_aminophenols_m120_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m120_1.mol2 │ ├── ranked_aminophenols_m120_10.mol2 │ ├── ranked_aminophenols_m120_11.mol2 │ ├── ranked_aminophenols_m120_12.mol2 │ ├── ranked_aminophenols_m120_13.mol2 │ ├── ranked_aminophenols_m120_14.mol2 │ ├── ranked_aminophenols_m120_15.mol2 │ ├── ranked_aminophenols_m120_16.mol2 │ ├── ranked_aminophenols_m120_17.mol2 │ ├── ranked_aminophenols_m120_18.mol2 │ ├── ranked_aminophenols_m120_19.mol2 │ ├── ranked_aminophenols_m120_2.mol2 │ ├── ranked_aminophenols_m120_20.mol2 │ ├── ranked_aminophenols_m120_3.mol2 │ ├── ranked_aminophenols_m120_4.mol2 │ ├── ranked_aminophenols_m120_5.mol2 │ ├── ranked_aminophenols_m120_6.mol2 │ ├── ranked_aminophenols_m120_7.mol2 │ ├── ranked_aminophenols_m120_8.mol2 │ └── ranked_aminophenols_m120_9.mol2 ├── aminophenols_m122 │ ├── aminophenols_m122.rnk │ ├── gold_aminophenols_m122.log │ ├── gold_aminophenols_m122.mol2 │ ├── gold_soln_aminophenols_m122_1.mol2 │ ├── gold_soln_aminophenols_m122_10.mol2 │ ├── gold_soln_aminophenols_m122_11.mol2 │ ├── gold_soln_aminophenols_m122_12.mol2 │ ├── gold_soln_aminophenols_m122_13.mol2 │ ├── gold_soln_aminophenols_m122_14.mol2 │ ├── gold_soln_aminophenols_m122_15.mol2 │ ├── gold_soln_aminophenols_m122_16.mol2 │ ├── gold_soln_aminophenols_m122_17.mol2 │ ├── gold_soln_aminophenols_m122_18.mol2 │ ├── gold_soln_aminophenols_m122_19.mol2 │ ├── gold_soln_aminophenols_m122_2.mol2 │ ├── gold_soln_aminophenols_m122_20.mol2 │ ├── gold_soln_aminophenols_m122_3.mol2 │ ├── gold_soln_aminophenols_m122_4.mol2 │ ├── gold_soln_aminophenols_m122_5.mol2 │ ├── gold_soln_aminophenols_m122_6.mol2 │ ├── gold_soln_aminophenols_m122_7.mol2 │ ├── gold_soln_aminophenols_m122_8.mol2 │ ├── gold_soln_aminophenols_m122_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m122_1.mol2 │ ├── ranked_aminophenols_m122_10.mol2 │ ├── ranked_aminophenols_m122_11.mol2 │ ├── ranked_aminophenols_m122_12.mol2 │ ├── ranked_aminophenols_m122_13.mol2 │ ├── ranked_aminophenols_m122_14.mol2 │ ├── ranked_aminophenols_m122_15.mol2 │ ├── ranked_aminophenols_m122_16.mol2 │ ├── ranked_aminophenols_m122_17.mol2 │ ├── ranked_aminophenols_m122_18.mol2 │ ├── ranked_aminophenols_m122_19.mol2 │ ├── ranked_aminophenols_m122_2.mol2 │ ├── ranked_aminophenols_m122_20.mol2 │ ├── ranked_aminophenols_m122_3.mol2 │ ├── ranked_aminophenols_m122_4.mol2 │ ├── ranked_aminophenols_m122_5.mol2 │ ├── ranked_aminophenols_m122_6.mol2 │ ├── ranked_aminophenols_m122_7.mol2 │ ├── ranked_aminophenols_m122_8.mol2 │ └── ranked_aminophenols_m122_9.mol2 ├── aminophenols_m123 │ ├── aminophenols_m123.rnk │ ├── gold_aminophenols_m123.log │ ├── gold_aminophenols_m123.mol2 │ ├── gold_soln_aminophenols_m123_1.mol2 │ ├── gold_soln_aminophenols_m123_10.mol2 │ ├── gold_soln_aminophenols_m123_11.mol2 │ ├── gold_soln_aminophenols_m123_12.mol2 │ ├── gold_soln_aminophenols_m123_13.mol2 │ ├── gold_soln_aminophenols_m123_14.mol2 │ ├── gold_soln_aminophenols_m123_15.mol2 │ ├── gold_soln_aminophenols_m123_16.mol2 │ ├── gold_soln_aminophenols_m123_17.mol2 │ ├── gold_soln_aminophenols_m123_18.mol2 │ ├── gold_soln_aminophenols_m123_19.mol2 │ ├── gold_soln_aminophenols_m123_2.mol2 │ ├── gold_soln_aminophenols_m123_20.mol2 │ ├── gold_soln_aminophenols_m123_3.mol2 │ ├── gold_soln_aminophenols_m123_4.mol2 │ ├── gold_soln_aminophenols_m123_5.mol2 │ ├── gold_soln_aminophenols_m123_6.mol2 │ ├── gold_soln_aminophenols_m123_7.mol2 │ ├── gold_soln_aminophenols_m123_8.mol2 │ ├── gold_soln_aminophenols_m123_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m123_1.mol2 │ ├── ranked_aminophenols_m123_10.mol2 │ ├── ranked_aminophenols_m123_11.mol2 │ ├── ranked_aminophenols_m123_12.mol2 │ ├── ranked_aminophenols_m123_13.mol2 │ ├── ranked_aminophenols_m123_14.mol2 │ ├── ranked_aminophenols_m123_15.mol2 │ ├── ranked_aminophenols_m123_16.mol2 │ ├── ranked_aminophenols_m123_17.mol2 │ ├── ranked_aminophenols_m123_18.mol2 │ ├── ranked_aminophenols_m123_19.mol2 │ ├── ranked_aminophenols_m123_2.mol2 │ ├── ranked_aminophenols_m123_20.mol2 │ ├── ranked_aminophenols_m123_3.mol2 │ ├── ranked_aminophenols_m123_4.mol2 │ ├── ranked_aminophenols_m123_5.mol2 │ ├── ranked_aminophenols_m123_6.mol2 │ ├── ranked_aminophenols_m123_7.mol2 │ ├── ranked_aminophenols_m123_8.mol2 │ └── ranked_aminophenols_m123_9.mol2 ├── aminophenols_m128 │ ├── aminophenols_m128.rnk │ ├── gold_aminophenols_m128.log │ ├── gold_aminophenols_m128.mol2 │ ├── gold_soln_aminophenols_m128_1.mol2 │ ├── gold_soln_aminophenols_m128_10.mol2 │ ├── gold_soln_aminophenols_m128_11.mol2 │ ├── gold_soln_aminophenols_m128_12.mol2 │ ├── gold_soln_aminophenols_m128_13.mol2 │ ├── gold_soln_aminophenols_m128_14.mol2 │ ├── gold_soln_aminophenols_m128_15.mol2 │ ├── gold_soln_aminophenols_m128_16.mol2 │ ├── gold_soln_aminophenols_m128_17.mol2 │ ├── gold_soln_aminophenols_m128_18.mol2 │ ├── gold_soln_aminophenols_m128_19.mol2 │ ├── gold_soln_aminophenols_m128_2.mol2 │ ├── gold_soln_aminophenols_m128_20.mol2 │ ├── gold_soln_aminophenols_m128_3.mol2 │ ├── gold_soln_aminophenols_m128_4.mol2 │ ├── gold_soln_aminophenols_m128_5.mol2 │ ├── gold_soln_aminophenols_m128_6.mol2 │ ├── gold_soln_aminophenols_m128_7.mol2 │ ├── gold_soln_aminophenols_m128_8.mol2 │ ├── gold_soln_aminophenols_m128_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m128_1.mol2 │ ├── ranked_aminophenols_m128_10.mol2 │ ├── ranked_aminophenols_m128_11.mol2 │ ├── ranked_aminophenols_m128_12.mol2 │ ├── ranked_aminophenols_m128_13.mol2 │ ├── ranked_aminophenols_m128_14.mol2 │ ├── ranked_aminophenols_m128_15.mol2 │ ├── ranked_aminophenols_m128_16.mol2 │ ├── ranked_aminophenols_m128_17.mol2 │ ├── ranked_aminophenols_m128_18.mol2 │ ├── ranked_aminophenols_m128_19.mol2 │ ├── ranked_aminophenols_m128_2.mol2 │ ├── ranked_aminophenols_m128_20.mol2 │ ├── ranked_aminophenols_m128_3.mol2 │ ├── ranked_aminophenols_m128_4.mol2 │ ├── ranked_aminophenols_m128_5.mol2 │ ├── ranked_aminophenols_m128_6.mol2 │ ├── ranked_aminophenols_m128_7.mol2 │ ├── ranked_aminophenols_m128_8.mol2 │ └── ranked_aminophenols_m128_9.mol2 ├── aminophenols_m13 │ ├── aminophenols_m13.rnk │ ├── gold_aminophenols_m13.log │ ├── gold_aminophenols_m13.mol2 │ ├── gold_soln_aminophenols_m13_1.mol2 │ ├── gold_soln_aminophenols_m13_10.mol2 │ ├── gold_soln_aminophenols_m13_11.mol2 │ ├── gold_soln_aminophenols_m13_12.mol2 │ ├── gold_soln_aminophenols_m13_13.mol2 │ ├── gold_soln_aminophenols_m13_14.mol2 │ ├── gold_soln_aminophenols_m13_15.mol2 │ ├── gold_soln_aminophenols_m13_16.mol2 │ ├── gold_soln_aminophenols_m13_17.mol2 │ ├── gold_soln_aminophenols_m13_18.mol2 │ ├── gold_soln_aminophenols_m13_19.mol2 │ ├── gold_soln_aminophenols_m13_2.mol2 │ ├── gold_soln_aminophenols_m13_20.mol2 │ ├── gold_soln_aminophenols_m13_3.mol2 │ ├── gold_soln_aminophenols_m13_4.mol2 │ ├── gold_soln_aminophenols_m13_5.mol2 │ ├── gold_soln_aminophenols_m13_6.mol2 │ ├── gold_soln_aminophenols_m13_7.mol2 │ ├── gold_soln_aminophenols_m13_8.mol2 │ ├── gold_soln_aminophenols_m13_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m13_1.mol2 │ ├── ranked_aminophenols_m13_10.mol2 │ ├── ranked_aminophenols_m13_11.mol2 │ ├── ranked_aminophenols_m13_12.mol2 │ ├── ranked_aminophenols_m13_13.mol2 │ ├── ranked_aminophenols_m13_14.mol2 │ ├── ranked_aminophenols_m13_15.mol2 │ ├── ranked_aminophenols_m13_16.mol2 │ ├── ranked_aminophenols_m13_17.mol2 │ ├── ranked_aminophenols_m13_18.mol2 │ ├── ranked_aminophenols_m13_19.mol2 │ ├── ranked_aminophenols_m13_2.mol2 │ ├── ranked_aminophenols_m13_20.mol2 │ ├── ranked_aminophenols_m13_3.mol2 │ ├── ranked_aminophenols_m13_4.mol2 │ ├── ranked_aminophenols_m13_5.mol2 │ ├── ranked_aminophenols_m13_6.mol2 │ ├── ranked_aminophenols_m13_7.mol2 │ ├── ranked_aminophenols_m13_8.mol2 │ └── ranked_aminophenols_m13_9.mol2 ├── aminophenols_m130 │ ├── aminophenols_m130.rnk │ ├── gold_aminophenols_m130.log │ ├── gold_aminophenols_m130.mol2 │ ├── gold_soln_aminophenols_m130_1.mol2 │ ├── gold_soln_aminophenols_m130_10.mol2 │ ├── gold_soln_aminophenols_m130_11.mol2 │ ├── gold_soln_aminophenols_m130_12.mol2 │ ├── gold_soln_aminophenols_m130_13.mol2 │ ├── gold_soln_aminophenols_m130_14.mol2 │ ├── gold_soln_aminophenols_m130_15.mol2 │ ├── gold_soln_aminophenols_m130_16.mol2 │ ├── gold_soln_aminophenols_m130_17.mol2 │ ├── gold_soln_aminophenols_m130_18.mol2 │ ├── gold_soln_aminophenols_m130_19.mol2 │ ├── gold_soln_aminophenols_m130_2.mol2 │ ├── gold_soln_aminophenols_m130_20.mol2 │ ├── gold_soln_aminophenols_m130_3.mol2 │ ├── gold_soln_aminophenols_m130_4.mol2 │ ├── gold_soln_aminophenols_m130_5.mol2 │ ├── gold_soln_aminophenols_m130_6.mol2 │ ├── gold_soln_aminophenols_m130_7.mol2 │ ├── gold_soln_aminophenols_m130_8.mol2 │ ├── gold_soln_aminophenols_m130_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m130_1.mol2 │ ├── ranked_aminophenols_m130_10.mol2 │ ├── ranked_aminophenols_m130_11.mol2 │ ├── ranked_aminophenols_m130_12.mol2 │ ├── ranked_aminophenols_m130_13.mol2 │ ├── ranked_aminophenols_m130_14.mol2 │ ├── ranked_aminophenols_m130_15.mol2 │ ├── ranked_aminophenols_m130_16.mol2 │ ├── ranked_aminophenols_m130_17.mol2 │ ├── ranked_aminophenols_m130_18.mol2 │ ├── ranked_aminophenols_m130_19.mol2 │ ├── ranked_aminophenols_m130_2.mol2 │ ├── ranked_aminophenols_m130_20.mol2 │ ├── ranked_aminophenols_m130_3.mol2 │ ├── ranked_aminophenols_m130_4.mol2 │ ├── ranked_aminophenols_m130_5.mol2 │ ├── ranked_aminophenols_m130_6.mol2 │ ├── ranked_aminophenols_m130_7.mol2 │ ├── ranked_aminophenols_m130_8.mol2 │ └── ranked_aminophenols_m130_9.mol2 ├── aminophenols_m145 │ ├── aminophenols_m145.rnk │ ├── gold_aminophenols_m145.log │ ├── gold_aminophenols_m145.mol2 │ ├── gold_soln_aminophenols_m145_1.mol2 │ ├── gold_soln_aminophenols_m145_10.mol2 │ ├── gold_soln_aminophenols_m145_11.mol2 │ ├── gold_soln_aminophenols_m145_12.mol2 │ ├── gold_soln_aminophenols_m145_13.mol2 │ ├── gold_soln_aminophenols_m145_14.mol2 │ ├── gold_soln_aminophenols_m145_15.mol2 │ ├── gold_soln_aminophenols_m145_16.mol2 │ ├── gold_soln_aminophenols_m145_17.mol2 │ ├── gold_soln_aminophenols_m145_18.mol2 │ ├── gold_soln_aminophenols_m145_19.mol2 │ ├── gold_soln_aminophenols_m145_2.mol2 │ ├── gold_soln_aminophenols_m145_20.mol2 │ ├── gold_soln_aminophenols_m145_3.mol2 │ ├── gold_soln_aminophenols_m145_4.mol2 │ ├── gold_soln_aminophenols_m145_5.mol2 │ ├── gold_soln_aminophenols_m145_6.mol2 │ ├── gold_soln_aminophenols_m145_7.mol2 │ ├── gold_soln_aminophenols_m145_8.mol2 │ ├── gold_soln_aminophenols_m145_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m145_1.mol2 │ ├── ranked_aminophenols_m145_10.mol2 │ ├── ranked_aminophenols_m145_11.mol2 │ ├── ranked_aminophenols_m145_12.mol2 │ ├── ranked_aminophenols_m145_13.mol2 │ ├── ranked_aminophenols_m145_14.mol2 │ ├── ranked_aminophenols_m145_15.mol2 │ ├── ranked_aminophenols_m145_16.mol2 │ ├── ranked_aminophenols_m145_17.mol2 │ ├── ranked_aminophenols_m145_18.mol2 │ ├── ranked_aminophenols_m145_19.mol2 │ ├── ranked_aminophenols_m145_2.mol2 │ ├── ranked_aminophenols_m145_20.mol2 │ ├── ranked_aminophenols_m145_3.mol2 │ ├── ranked_aminophenols_m145_4.mol2 │ ├── ranked_aminophenols_m145_5.mol2 │ ├── ranked_aminophenols_m145_6.mol2 │ ├── ranked_aminophenols_m145_7.mol2 │ ├── ranked_aminophenols_m145_8.mol2 │ └── ranked_aminophenols_m145_9.mol2 ├── aminophenols_m15 │ ├── aminophenols_m15.rnk │ ├── gold_aminophenols_m15.log │ ├── gold_aminophenols_m15.mol2 │ ├── gold_soln_aminophenols_m15_1.mol2 │ ├── gold_soln_aminophenols_m15_10.mol2 │ ├── gold_soln_aminophenols_m15_11.mol2 │ ├── gold_soln_aminophenols_m15_12.mol2 │ ├── gold_soln_aminophenols_m15_13.mol2 │ ├── gold_soln_aminophenols_m15_14.mol2 │ ├── gold_soln_aminophenols_m15_15.mol2 │ ├── gold_soln_aminophenols_m15_16.mol2 │ ├── gold_soln_aminophenols_m15_17.mol2 │ ├── gold_soln_aminophenols_m15_18.mol2 │ ├── gold_soln_aminophenols_m15_19.mol2 │ ├── gold_soln_aminophenols_m15_2.mol2 │ ├── gold_soln_aminophenols_m15_20.mol2 │ ├── gold_soln_aminophenols_m15_3.mol2 │ ├── gold_soln_aminophenols_m15_4.mol2 │ ├── gold_soln_aminophenols_m15_5.mol2 │ ├── gold_soln_aminophenols_m15_6.mol2 │ ├── gold_soln_aminophenols_m15_7.mol2 │ ├── gold_soln_aminophenols_m15_8.mol2 │ ├── gold_soln_aminophenols_m15_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m15_1.mol2 │ ├── ranked_aminophenols_m15_10.mol2 │ ├── ranked_aminophenols_m15_11.mol2 │ ├── ranked_aminophenols_m15_12.mol2 │ ├── ranked_aminophenols_m15_13.mol2 │ ├── ranked_aminophenols_m15_14.mol2 │ ├── ranked_aminophenols_m15_15.mol2 │ ├── ranked_aminophenols_m15_16.mol2 │ ├── ranked_aminophenols_m15_17.mol2 │ ├── ranked_aminophenols_m15_18.mol2 │ ├── ranked_aminophenols_m15_19.mol2 │ ├── ranked_aminophenols_m15_2.mol2 │ ├── ranked_aminophenols_m15_20.mol2 │ ├── ranked_aminophenols_m15_3.mol2 │ ├── ranked_aminophenols_m15_4.mol2 │ ├── ranked_aminophenols_m15_5.mol2 │ ├── ranked_aminophenols_m15_6.mol2 │ ├── ranked_aminophenols_m15_7.mol2 │ ├── ranked_aminophenols_m15_8.mol2 │ └── ranked_aminophenols_m15_9.mol2 ├── aminophenols_m25 │ ├── aminophenols_m25.rnk │ ├── gold_aminophenols_m25.log │ ├── gold_aminophenols_m25.mol2 │ ├── gold_soln_aminophenols_m25_1.mol2 │ ├── gold_soln_aminophenols_m25_10.mol2 │ ├── gold_soln_aminophenols_m25_11.mol2 │ ├── gold_soln_aminophenols_m25_12.mol2 │ ├── gold_soln_aminophenols_m25_13.mol2 │ ├── gold_soln_aminophenols_m25_14.mol2 │ ├── gold_soln_aminophenols_m25_15.mol2 │ ├── gold_soln_aminophenols_m25_16.mol2 │ ├── gold_soln_aminophenols_m25_17.mol2 │ ├── gold_soln_aminophenols_m25_18.mol2 │ ├── gold_soln_aminophenols_m25_19.mol2 │ ├── gold_soln_aminophenols_m25_2.mol2 │ ├── gold_soln_aminophenols_m25_20.mol2 │ ├── gold_soln_aminophenols_m25_3.mol2 │ ├── gold_soln_aminophenols_m25_4.mol2 │ ├── gold_soln_aminophenols_m25_5.mol2 │ ├── gold_soln_aminophenols_m25_6.mol2 │ ├── gold_soln_aminophenols_m25_7.mol2 │ ├── gold_soln_aminophenols_m25_8.mol2 │ ├── gold_soln_aminophenols_m25_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m25_1.mol2 │ ├── ranked_aminophenols_m25_10.mol2 │ ├── ranked_aminophenols_m25_11.mol2 │ ├── ranked_aminophenols_m25_12.mol2 │ ├── ranked_aminophenols_m25_13.mol2 │ ├── ranked_aminophenols_m25_14.mol2 │ ├── ranked_aminophenols_m25_15.mol2 │ ├── ranked_aminophenols_m25_16.mol2 │ ├── ranked_aminophenols_m25_17.mol2 │ ├── ranked_aminophenols_m25_18.mol2 │ ├── ranked_aminophenols_m25_19.mol2 │ ├── ranked_aminophenols_m25_2.mol2 │ ├── ranked_aminophenols_m25_20.mol2 │ ├── ranked_aminophenols_m25_3.mol2 │ ├── ranked_aminophenols_m25_4.mol2 │ ├── ranked_aminophenols_m25_5.mol2 │ ├── ranked_aminophenols_m25_6.mol2 │ ├── ranked_aminophenols_m25_7.mol2 │ ├── ranked_aminophenols_m25_8.mol2 │ └── ranked_aminophenols_m25_9.mol2 ├── aminophenols_m30 │ ├── aminophenols_m30.rnk │ ├── gold_aminophenols_m30.log │ ├── gold_aminophenols_m30.mol2 │ ├── gold_soln_aminophenols_m30_1.mol2 │ ├── gold_soln_aminophenols_m30_10.mol2 │ ├── gold_soln_aminophenols_m30_11.mol2 │ ├── gold_soln_aminophenols_m30_12.mol2 │ ├── gold_soln_aminophenols_m30_13.mol2 │ ├── gold_soln_aminophenols_m30_14.mol2 │ ├── gold_soln_aminophenols_m30_15.mol2 │ ├── gold_soln_aminophenols_m30_16.mol2 │ ├── gold_soln_aminophenols_m30_17.mol2 │ ├── gold_soln_aminophenols_m30_18.mol2 │ ├── gold_soln_aminophenols_m30_19.mol2 │ ├── gold_soln_aminophenols_m30_2.mol2 │ ├── gold_soln_aminophenols_m30_20.mol2 │ ├── gold_soln_aminophenols_m30_3.mol2 │ ├── gold_soln_aminophenols_m30_4.mol2 │ ├── gold_soln_aminophenols_m30_5.mol2 │ ├── gold_soln_aminophenols_m30_6.mol2 │ ├── gold_soln_aminophenols_m30_7.mol2 │ ├── gold_soln_aminophenols_m30_8.mol2 │ ├── gold_soln_aminophenols_m30_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m30_1.mol2 │ ├── ranked_aminophenols_m30_10.mol2 │ ├── ranked_aminophenols_m30_11.mol2 │ ├── ranked_aminophenols_m30_12.mol2 │ ├── ranked_aminophenols_m30_13.mol2 │ ├── ranked_aminophenols_m30_14.mol2 │ ├── ranked_aminophenols_m30_15.mol2 │ ├── ranked_aminophenols_m30_16.mol2 │ ├── ranked_aminophenols_m30_17.mol2 │ ├── ranked_aminophenols_m30_18.mol2 │ ├── ranked_aminophenols_m30_19.mol2 │ ├── ranked_aminophenols_m30_2.mol2 │ ├── ranked_aminophenols_m30_20.mol2 │ ├── ranked_aminophenols_m30_3.mol2 │ ├── ranked_aminophenols_m30_4.mol2 │ ├── ranked_aminophenols_m30_5.mol2 │ ├── ranked_aminophenols_m30_6.mol2 │ ├── ranked_aminophenols_m30_7.mol2 │ ├── ranked_aminophenols_m30_8.mol2 │ └── ranked_aminophenols_m30_9.mol2 ├── aminophenols_m33 │ ├── aminophenols_m33.rnk │ ├── gold_aminophenols_m33.log │ ├── gold_aminophenols_m33.mol2 │ ├── gold_soln_aminophenols_m33_1.mol2 │ ├── gold_soln_aminophenols_m33_10.mol2 │ ├── gold_soln_aminophenols_m33_11.mol2 │ ├── gold_soln_aminophenols_m33_12.mol2 │ ├── gold_soln_aminophenols_m33_13.mol2 │ ├── gold_soln_aminophenols_m33_14.mol2 │ ├── gold_soln_aminophenols_m33_15.mol2 │ ├── gold_soln_aminophenols_m33_16.mol2 │ ├── gold_soln_aminophenols_m33_17.mol2 │ ├── gold_soln_aminophenols_m33_18.mol2 │ ├── gold_soln_aminophenols_m33_19.mol2 │ ├── gold_soln_aminophenols_m33_2.mol2 │ ├── gold_soln_aminophenols_m33_20.mol2 │ ├── gold_soln_aminophenols_m33_3.mol2 │ ├── gold_soln_aminophenols_m33_4.mol2 │ ├── gold_soln_aminophenols_m33_5.mol2 │ ├── gold_soln_aminophenols_m33_6.mol2 │ ├── gold_soln_aminophenols_m33_7.mol2 │ ├── gold_soln_aminophenols_m33_8.mol2 │ ├── gold_soln_aminophenols_m33_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m33_1.mol2 │ ├── ranked_aminophenols_m33_10.mol2 │ ├── ranked_aminophenols_m33_11.mol2 │ ├── ranked_aminophenols_m33_12.mol2 │ ├── ranked_aminophenols_m33_13.mol2 │ ├── ranked_aminophenols_m33_14.mol2 │ ├── ranked_aminophenols_m33_15.mol2 │ ├── ranked_aminophenols_m33_16.mol2 │ ├── ranked_aminophenols_m33_17.mol2 │ ├── ranked_aminophenols_m33_18.mol2 │ ├── ranked_aminophenols_m33_19.mol2 │ ├── ranked_aminophenols_m33_2.mol2 │ ├── ranked_aminophenols_m33_20.mol2 │ ├── ranked_aminophenols_m33_3.mol2 │ ├── ranked_aminophenols_m33_4.mol2 │ ├── ranked_aminophenols_m33_5.mol2 │ ├── ranked_aminophenols_m33_6.mol2 │ ├── ranked_aminophenols_m33_7.mol2 │ ├── ranked_aminophenols_m33_8.mol2 │ └── ranked_aminophenols_m33_9.mol2 ├── aminophenols_m35 │ ├── aminophenols_m35.rnk │ ├── gold_aminophenols_m35.log │ ├── gold_aminophenols_m35.mol2 │ ├── gold_soln_aminophenols_m35_1.mol2 │ ├── gold_soln_aminophenols_m35_10.mol2 │ ├── gold_soln_aminophenols_m35_11.mol2 │ ├── gold_soln_aminophenols_m35_12.mol2 │ ├── gold_soln_aminophenols_m35_13.mol2 │ ├── gold_soln_aminophenols_m35_14.mol2 │ ├── gold_soln_aminophenols_m35_15.mol2 │ ├── gold_soln_aminophenols_m35_16.mol2 │ ├── gold_soln_aminophenols_m35_17.mol2 │ ├── gold_soln_aminophenols_m35_18.mol2 │ ├── gold_soln_aminophenols_m35_19.mol2 │ ├── gold_soln_aminophenols_m35_2.mol2 │ ├── gold_soln_aminophenols_m35_20.mol2 │ ├── gold_soln_aminophenols_m35_3.mol2 │ ├── gold_soln_aminophenols_m35_4.mol2 │ ├── gold_soln_aminophenols_m35_5.mol2 │ ├── gold_soln_aminophenols_m35_6.mol2 │ ├── gold_soln_aminophenols_m35_7.mol2 │ ├── gold_soln_aminophenols_m35_8.mol2 │ ├── gold_soln_aminophenols_m35_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m35_1.mol2 │ ├── ranked_aminophenols_m35_10.mol2 │ ├── ranked_aminophenols_m35_11.mol2 │ ├── ranked_aminophenols_m35_12.mol2 │ ├── ranked_aminophenols_m35_13.mol2 │ ├── ranked_aminophenols_m35_14.mol2 │ ├── ranked_aminophenols_m35_15.mol2 │ ├── ranked_aminophenols_m35_16.mol2 │ ├── ranked_aminophenols_m35_17.mol2 │ ├── ranked_aminophenols_m35_18.mol2 │ ├── ranked_aminophenols_m35_19.mol2 │ ├── ranked_aminophenols_m35_2.mol2 │ ├── ranked_aminophenols_m35_20.mol2 │ ├── ranked_aminophenols_m35_3.mol2 │ ├── ranked_aminophenols_m35_4.mol2 │ ├── ranked_aminophenols_m35_5.mol2 │ ├── ranked_aminophenols_m35_6.mol2 │ ├── ranked_aminophenols_m35_7.mol2 │ ├── ranked_aminophenols_m35_8.mol2 │ └── ranked_aminophenols_m35_9.mol2 ├── aminophenols_m38 │ ├── aminophenols_m38.rnk │ ├── gold_aminophenols_m38.log │ ├── gold_aminophenols_m38.mol2 │ ├── gold_soln_aminophenols_m38_1.mol2 │ ├── gold_soln_aminophenols_m38_10.mol2 │ ├── gold_soln_aminophenols_m38_11.mol2 │ ├── gold_soln_aminophenols_m38_12.mol2 │ ├── gold_soln_aminophenols_m38_13.mol2 │ ├── gold_soln_aminophenols_m38_14.mol2 │ ├── gold_soln_aminophenols_m38_15.mol2 │ ├── gold_soln_aminophenols_m38_16.mol2 │ ├── gold_soln_aminophenols_m38_17.mol2 │ ├── gold_soln_aminophenols_m38_18.mol2 │ ├── gold_soln_aminophenols_m38_19.mol2 │ ├── gold_soln_aminophenols_m38_2.mol2 │ ├── gold_soln_aminophenols_m38_20.mol2 │ ├── gold_soln_aminophenols_m38_3.mol2 │ ├── gold_soln_aminophenols_m38_4.mol2 │ ├── gold_soln_aminophenols_m38_5.mol2 │ ├── gold_soln_aminophenols_m38_6.mol2 │ ├── gold_soln_aminophenols_m38_7.mol2 │ ├── gold_soln_aminophenols_m38_8.mol2 │ ├── gold_soln_aminophenols_m38_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m38_1.mol2 │ ├── ranked_aminophenols_m38_10.mol2 │ ├── ranked_aminophenols_m38_11.mol2 │ ├── ranked_aminophenols_m38_12.mol2 │ ├── ranked_aminophenols_m38_13.mol2 │ ├── ranked_aminophenols_m38_14.mol2 │ ├── ranked_aminophenols_m38_15.mol2 │ ├── ranked_aminophenols_m38_16.mol2 │ ├── ranked_aminophenols_m38_17.mol2 │ ├── ranked_aminophenols_m38_18.mol2 │ ├── ranked_aminophenols_m38_19.mol2 │ ├── ranked_aminophenols_m38_2.mol2 │ ├── ranked_aminophenols_m38_20.mol2 │ ├── ranked_aminophenols_m38_3.mol2 │ ├── ranked_aminophenols_m38_4.mol2 │ ├── ranked_aminophenols_m38_5.mol2 │ ├── ranked_aminophenols_m38_6.mol2 │ ├── ranked_aminophenols_m38_7.mol2 │ ├── ranked_aminophenols_m38_8.mol2 │ └── ranked_aminophenols_m38_9.mol2 ├── aminophenols_m42 │ ├── aminophenols_m42.rnk │ ├── gold_aminophenols_m42.log │ ├── gold_aminophenols_m42.mol2 │ ├── gold_soln_aminophenols_m42_1.mol2 │ ├── gold_soln_aminophenols_m42_10.mol2 │ ├── gold_soln_aminophenols_m42_11.mol2 │ ├── gold_soln_aminophenols_m42_12.mol2 │ ├── gold_soln_aminophenols_m42_13.mol2 │ ├── gold_soln_aminophenols_m42_14.mol2 │ ├── gold_soln_aminophenols_m42_15.mol2 │ ├── gold_soln_aminophenols_m42_16.mol2 │ ├── gold_soln_aminophenols_m42_17.mol2 │ ├── gold_soln_aminophenols_m42_18.mol2 │ ├── gold_soln_aminophenols_m42_19.mol2 │ ├── gold_soln_aminophenols_m42_2.mol2 │ ├── gold_soln_aminophenols_m42_20.mol2 │ ├── gold_soln_aminophenols_m42_3.mol2 │ ├── gold_soln_aminophenols_m42_4.mol2 │ ├── gold_soln_aminophenols_m42_5.mol2 │ ├── gold_soln_aminophenols_m42_6.mol2 │ ├── gold_soln_aminophenols_m42_7.mol2 │ ├── gold_soln_aminophenols_m42_8.mol2 │ ├── gold_soln_aminophenols_m42_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m42_1.mol2 │ ├── ranked_aminophenols_m42_10.mol2 │ ├── ranked_aminophenols_m42_11.mol2 │ ├── ranked_aminophenols_m42_12.mol2 │ ├── ranked_aminophenols_m42_13.mol2 │ ├── ranked_aminophenols_m42_14.mol2 │ ├── ranked_aminophenols_m42_15.mol2 │ ├── ranked_aminophenols_m42_16.mol2 │ ├── ranked_aminophenols_m42_17.mol2 │ ├── ranked_aminophenols_m42_18.mol2 │ ├── ranked_aminophenols_m42_19.mol2 │ ├── ranked_aminophenols_m42_2.mol2 │ ├── ranked_aminophenols_m42_20.mol2 │ ├── ranked_aminophenols_m42_3.mol2 │ ├── ranked_aminophenols_m42_4.mol2 │ ├── ranked_aminophenols_m42_5.mol2 │ ├── ranked_aminophenols_m42_6.mol2 │ ├── ranked_aminophenols_m42_7.mol2 │ ├── ranked_aminophenols_m42_8.mol2 │ └── ranked_aminophenols_m42_9.mol2 ├── aminophenols_m43 │ ├── aminophenols_m43.rnk │ ├── gold_aminophenols_m43.log │ ├── gold_aminophenols_m43.mol2 │ ├── gold_soln_aminophenols_m43_1.mol2 │ ├── gold_soln_aminophenols_m43_10.mol2 │ ├── gold_soln_aminophenols_m43_11.mol2 │ ├── gold_soln_aminophenols_m43_12.mol2 │ ├── gold_soln_aminophenols_m43_13.mol2 │ ├── gold_soln_aminophenols_m43_14.mol2 │ ├── gold_soln_aminophenols_m43_15.mol2 │ ├── gold_soln_aminophenols_m43_16.mol2 │ ├── gold_soln_aminophenols_m43_17.mol2 │ ├── gold_soln_aminophenols_m43_18.mol2 │ ├── gold_soln_aminophenols_m43_19.mol2 │ ├── gold_soln_aminophenols_m43_2.mol2 │ ├── gold_soln_aminophenols_m43_20.mol2 │ ├── gold_soln_aminophenols_m43_3.mol2 │ ├── gold_soln_aminophenols_m43_4.mol2 │ ├── gold_soln_aminophenols_m43_5.mol2 │ ├── gold_soln_aminophenols_m43_6.mol2 │ ├── gold_soln_aminophenols_m43_7.mol2 │ ├── gold_soln_aminophenols_m43_8.mol2 │ ├── gold_soln_aminophenols_m43_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m43_1.mol2 │ ├── ranked_aminophenols_m43_10.mol2 │ ├── ranked_aminophenols_m43_11.mol2 │ ├── ranked_aminophenols_m43_12.mol2 │ ├── ranked_aminophenols_m43_13.mol2 │ ├── ranked_aminophenols_m43_14.mol2 │ ├── ranked_aminophenols_m43_15.mol2 │ ├── ranked_aminophenols_m43_16.mol2 │ ├── ranked_aminophenols_m43_17.mol2 │ ├── ranked_aminophenols_m43_18.mol2 │ ├── ranked_aminophenols_m43_19.mol2 │ ├── ranked_aminophenols_m43_2.mol2 │ ├── ranked_aminophenols_m43_20.mol2 │ ├── ranked_aminophenols_m43_3.mol2 │ ├── ranked_aminophenols_m43_4.mol2 │ ├── ranked_aminophenols_m43_5.mol2 │ ├── ranked_aminophenols_m43_6.mol2 │ ├── ranked_aminophenols_m43_7.mol2 │ ├── ranked_aminophenols_m43_8.mol2 │ └── ranked_aminophenols_m43_9.mol2 ├── aminophenols_m49 │ ├── aminophenols_m49.rnk │ ├── gold_aminophenols_m49.log │ ├── gold_aminophenols_m49.mol2 │ ├── gold_soln_aminophenols_m49_1.mol2 │ ├── gold_soln_aminophenols_m49_10.mol2 │ ├── gold_soln_aminophenols_m49_11.mol2 │ ├── gold_soln_aminophenols_m49_12.mol2 │ ├── gold_soln_aminophenols_m49_13.mol2 │ ├── gold_soln_aminophenols_m49_14.mol2 │ ├── gold_soln_aminophenols_m49_15.mol2 │ ├── gold_soln_aminophenols_m49_16.mol2 │ ├── gold_soln_aminophenols_m49_17.mol2 │ ├── gold_soln_aminophenols_m49_18.mol2 │ ├── gold_soln_aminophenols_m49_19.mol2 │ ├── gold_soln_aminophenols_m49_2.mol2 │ ├── gold_soln_aminophenols_m49_20.mol2 │ ├── gold_soln_aminophenols_m49_3.mol2 │ ├── gold_soln_aminophenols_m49_4.mol2 │ ├── gold_soln_aminophenols_m49_5.mol2 │ ├── gold_soln_aminophenols_m49_6.mol2 │ ├── gold_soln_aminophenols_m49_7.mol2 │ ├── gold_soln_aminophenols_m49_8.mol2 │ ├── gold_soln_aminophenols_m49_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m49_1.mol2 │ ├── ranked_aminophenols_m49_10.mol2 │ ├── ranked_aminophenols_m49_11.mol2 │ ├── ranked_aminophenols_m49_12.mol2 │ ├── ranked_aminophenols_m49_13.mol2 │ ├── ranked_aminophenols_m49_14.mol2 │ ├── ranked_aminophenols_m49_15.mol2 │ ├── ranked_aminophenols_m49_16.mol2 │ ├── ranked_aminophenols_m49_17.mol2 │ ├── ranked_aminophenols_m49_18.mol2 │ ├── ranked_aminophenols_m49_19.mol2 │ ├── ranked_aminophenols_m49_2.mol2 │ ├── ranked_aminophenols_m49_20.mol2 │ ├── ranked_aminophenols_m49_3.mol2 │ ├── ranked_aminophenols_m49_4.mol2 │ ├── ranked_aminophenols_m49_5.mol2 │ ├── ranked_aminophenols_m49_6.mol2 │ ├── ranked_aminophenols_m49_7.mol2 │ ├── ranked_aminophenols_m49_8.mol2 │ └── ranked_aminophenols_m49_9.mol2 ├── aminophenols_m50 │ ├── aminophenols_m50.rnk │ ├── gold_aminophenols_m50.log │ ├── gold_aminophenols_m50.mol2 │ ├── gold_soln_aminophenols_m50_1.mol2 │ ├── gold_soln_aminophenols_m50_10.mol2 │ ├── gold_soln_aminophenols_m50_11.mol2 │ ├── gold_soln_aminophenols_m50_12.mol2 │ ├── gold_soln_aminophenols_m50_13.mol2 │ ├── gold_soln_aminophenols_m50_14.mol2 │ ├── gold_soln_aminophenols_m50_15.mol2 │ ├── gold_soln_aminophenols_m50_16.mol2 │ ├── gold_soln_aminophenols_m50_17.mol2 │ ├── gold_soln_aminophenols_m50_18.mol2 │ ├── gold_soln_aminophenols_m50_19.mol2 │ ├── gold_soln_aminophenols_m50_2.mol2 │ ├── gold_soln_aminophenols_m50_20.mol2 │ ├── gold_soln_aminophenols_m50_3.mol2 │ ├── gold_soln_aminophenols_m50_4.mol2 │ ├── gold_soln_aminophenols_m50_5.mol2 │ ├── gold_soln_aminophenols_m50_6.mol2 │ ├── gold_soln_aminophenols_m50_7.mol2 │ ├── gold_soln_aminophenols_m50_8.mol2 │ ├── gold_soln_aminophenols_m50_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m50_1.mol2 │ ├── ranked_aminophenols_m50_10.mol2 │ ├── ranked_aminophenols_m50_11.mol2 │ ├── ranked_aminophenols_m50_12.mol2 │ ├── ranked_aminophenols_m50_13.mol2 │ ├── ranked_aminophenols_m50_14.mol2 │ ├── ranked_aminophenols_m50_15.mol2 │ ├── ranked_aminophenols_m50_16.mol2 │ ├── ranked_aminophenols_m50_17.mol2 │ ├── ranked_aminophenols_m50_18.mol2 │ ├── ranked_aminophenols_m50_19.mol2 │ ├── ranked_aminophenols_m50_2.mol2 │ ├── ranked_aminophenols_m50_20.mol2 │ ├── ranked_aminophenols_m50_3.mol2 │ ├── ranked_aminophenols_m50_4.mol2 │ ├── ranked_aminophenols_m50_5.mol2 │ ├── ranked_aminophenols_m50_6.mol2 │ ├── ranked_aminophenols_m50_7.mol2 │ ├── ranked_aminophenols_m50_8.mol2 │ └── ranked_aminophenols_m50_9.mol2 ├── aminophenols_m55 │ ├── aminophenols_m55.rnk │ ├── gold_aminophenols_m55.log │ ├── gold_aminophenols_m55.mol2 │ ├── gold_soln_aminophenols_m55_1.mol2 │ ├── gold_soln_aminophenols_m55_10.mol2 │ ├── gold_soln_aminophenols_m55_11.mol2 │ ├── gold_soln_aminophenols_m55_12.mol2 │ ├── gold_soln_aminophenols_m55_13.mol2 │ ├── gold_soln_aminophenols_m55_14.mol2 │ ├── gold_soln_aminophenols_m55_15.mol2 │ ├── gold_soln_aminophenols_m55_16.mol2 │ ├── gold_soln_aminophenols_m55_17.mol2 │ ├── gold_soln_aminophenols_m55_18.mol2 │ ├── gold_soln_aminophenols_m55_19.mol2 │ ├── gold_soln_aminophenols_m55_2.mol2 │ ├── gold_soln_aminophenols_m55_20.mol2 │ ├── gold_soln_aminophenols_m55_3.mol2 │ ├── gold_soln_aminophenols_m55_4.mol2 │ ├── gold_soln_aminophenols_m55_5.mol2 │ ├── gold_soln_aminophenols_m55_6.mol2 │ ├── gold_soln_aminophenols_m55_7.mol2 │ ├── gold_soln_aminophenols_m55_8.mol2 │ ├── gold_soln_aminophenols_m55_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m55_1.mol2 │ ├── ranked_aminophenols_m55_10.mol2 │ ├── ranked_aminophenols_m55_11.mol2 │ ├── ranked_aminophenols_m55_12.mol2 │ ├── ranked_aminophenols_m55_13.mol2 │ ├── ranked_aminophenols_m55_14.mol2 │ ├── ranked_aminophenols_m55_15.mol2 │ ├── ranked_aminophenols_m55_16.mol2 │ ├── ranked_aminophenols_m55_17.mol2 │ ├── ranked_aminophenols_m55_18.mol2 │ ├── ranked_aminophenols_m55_19.mol2 │ ├── ranked_aminophenols_m55_2.mol2 │ ├── ranked_aminophenols_m55_20.mol2 │ ├── ranked_aminophenols_m55_3.mol2 │ ├── ranked_aminophenols_m55_4.mol2 │ ├── ranked_aminophenols_m55_5.mol2 │ ├── ranked_aminophenols_m55_6.mol2 │ ├── ranked_aminophenols_m55_7.mol2 │ ├── ranked_aminophenols_m55_8.mol2 │ └── ranked_aminophenols_m55_9.mol2 ├── aminophenols_m63 │ ├── aminophenols_m63.rnk │ ├── gold_aminophenols_m63.log │ ├── gold_aminophenols_m63.mol2 │ ├── gold_soln_aminophenols_m63_1.mol2 │ ├── gold_soln_aminophenols_m63_10.mol2 │ ├── gold_soln_aminophenols_m63_11.mol2 │ ├── gold_soln_aminophenols_m63_12.mol2 │ ├── gold_soln_aminophenols_m63_13.mol2 │ ├── gold_soln_aminophenols_m63_14.mol2 │ ├── gold_soln_aminophenols_m63_15.mol2 │ ├── gold_soln_aminophenols_m63_16.mol2 │ ├── gold_soln_aminophenols_m63_17.mol2 │ ├── gold_soln_aminophenols_m63_18.mol2 │ ├── gold_soln_aminophenols_m63_19.mol2 │ ├── gold_soln_aminophenols_m63_2.mol2 │ ├── gold_soln_aminophenols_m63_20.mol2 │ ├── gold_soln_aminophenols_m63_3.mol2 │ ├── gold_soln_aminophenols_m63_4.mol2 │ ├── gold_soln_aminophenols_m63_5.mol2 │ ├── gold_soln_aminophenols_m63_6.mol2 │ ├── gold_soln_aminophenols_m63_7.mol2 │ ├── gold_soln_aminophenols_m63_8.mol2 │ ├── gold_soln_aminophenols_m63_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m63_1.mol2 │ ├── ranked_aminophenols_m63_10.mol2 │ ├── ranked_aminophenols_m63_11.mol2 │ ├── ranked_aminophenols_m63_12.mol2 │ ├── ranked_aminophenols_m63_13.mol2 │ ├── ranked_aminophenols_m63_14.mol2 │ ├── ranked_aminophenols_m63_15.mol2 │ ├── ranked_aminophenols_m63_16.mol2 │ ├── ranked_aminophenols_m63_17.mol2 │ ├── ranked_aminophenols_m63_18.mol2 │ ├── ranked_aminophenols_m63_19.mol2 │ ├── ranked_aminophenols_m63_2.mol2 │ ├── ranked_aminophenols_m63_20.mol2 │ ├── ranked_aminophenols_m63_3.mol2 │ ├── ranked_aminophenols_m63_4.mol2 │ ├── ranked_aminophenols_m63_5.mol2 │ ├── ranked_aminophenols_m63_6.mol2 │ ├── ranked_aminophenols_m63_7.mol2 │ ├── ranked_aminophenols_m63_8.mol2 │ └── ranked_aminophenols_m63_9.mol2 ├── aminophenols_m66 │ ├── aminophenols_m66.rnk │ ├── gold_aminophenols_m66.log │ ├── gold_aminophenols_m66.mol2 │ ├── gold_soln_aminophenols_m66_1.mol2 │ ├── gold_soln_aminophenols_m66_10.mol2 │ ├── gold_soln_aminophenols_m66_11.mol2 │ ├── gold_soln_aminophenols_m66_12.mol2 │ ├── gold_soln_aminophenols_m66_13.mol2 │ ├── gold_soln_aminophenols_m66_14.mol2 │ ├── gold_soln_aminophenols_m66_15.mol2 │ ├── gold_soln_aminophenols_m66_16.mol2 │ ├── gold_soln_aminophenols_m66_17.mol2 │ ├── gold_soln_aminophenols_m66_18.mol2 │ ├── gold_soln_aminophenols_m66_19.mol2 │ ├── gold_soln_aminophenols_m66_2.mol2 │ ├── gold_soln_aminophenols_m66_20.mol2 │ ├── gold_soln_aminophenols_m66_3.mol2 │ ├── gold_soln_aminophenols_m66_4.mol2 │ ├── gold_soln_aminophenols_m66_5.mol2 │ ├── gold_soln_aminophenols_m66_6.mol2 │ ├── gold_soln_aminophenols_m66_7.mol2 │ ├── gold_soln_aminophenols_m66_8.mol2 │ ├── gold_soln_aminophenols_m66_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m66_1.mol2 │ ├── ranked_aminophenols_m66_10.mol2 │ ├── ranked_aminophenols_m66_11.mol2 │ ├── ranked_aminophenols_m66_12.mol2 │ ├── ranked_aminophenols_m66_13.mol2 │ ├── ranked_aminophenols_m66_14.mol2 │ ├── ranked_aminophenols_m66_15.mol2 │ ├── ranked_aminophenols_m66_16.mol2 │ ├── ranked_aminophenols_m66_17.mol2 │ ├── ranked_aminophenols_m66_18.mol2 │ ├── ranked_aminophenols_m66_19.mol2 │ ├── ranked_aminophenols_m66_2.mol2 │ ├── ranked_aminophenols_m66_20.mol2 │ ├── ranked_aminophenols_m66_3.mol2 │ ├── ranked_aminophenols_m66_4.mol2 │ ├── ranked_aminophenols_m66_5.mol2 │ ├── ranked_aminophenols_m66_6.mol2 │ ├── ranked_aminophenols_m66_7.mol2 │ ├── ranked_aminophenols_m66_8.mol2 │ └── ranked_aminophenols_m66_9.mol2 ├── aminophenols_m68 │ ├── aminophenols_m68.rnk │ ├── gold_aminophenols_m68.log │ ├── gold_aminophenols_m68.mol2 │ ├── gold_soln_aminophenols_m68_1.mol2 │ ├── gold_soln_aminophenols_m68_10.mol2 │ ├── gold_soln_aminophenols_m68_11.mol2 │ ├── gold_soln_aminophenols_m68_12.mol2 │ ├── gold_soln_aminophenols_m68_13.mol2 │ ├── gold_soln_aminophenols_m68_14.mol2 │ ├── gold_soln_aminophenols_m68_15.mol2 │ ├── gold_soln_aminophenols_m68_16.mol2 │ ├── gold_soln_aminophenols_m68_17.mol2 │ ├── gold_soln_aminophenols_m68_18.mol2 │ ├── gold_soln_aminophenols_m68_19.mol2 │ ├── gold_soln_aminophenols_m68_2.mol2 │ ├── gold_soln_aminophenols_m68_20.mol2 │ ├── gold_soln_aminophenols_m68_3.mol2 │ ├── gold_soln_aminophenols_m68_4.mol2 │ ├── gold_soln_aminophenols_m68_5.mol2 │ ├── gold_soln_aminophenols_m68_6.mol2 │ ├── gold_soln_aminophenols_m68_7.mol2 │ ├── gold_soln_aminophenols_m68_8.mol2 │ ├── gold_soln_aminophenols_m68_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m68_1.mol2 │ ├── ranked_aminophenols_m68_10.mol2 │ ├── ranked_aminophenols_m68_11.mol2 │ ├── ranked_aminophenols_m68_12.mol2 │ ├── ranked_aminophenols_m68_13.mol2 │ ├── ranked_aminophenols_m68_14.mol2 │ ├── ranked_aminophenols_m68_15.mol2 │ ├── ranked_aminophenols_m68_16.mol2 │ ├── ranked_aminophenols_m68_17.mol2 │ ├── ranked_aminophenols_m68_18.mol2 │ ├── ranked_aminophenols_m68_19.mol2 │ ├── ranked_aminophenols_m68_2.mol2 │ ├── ranked_aminophenols_m68_20.mol2 │ ├── ranked_aminophenols_m68_3.mol2 │ ├── ranked_aminophenols_m68_4.mol2 │ ├── ranked_aminophenols_m68_5.mol2 │ ├── ranked_aminophenols_m68_6.mol2 │ ├── ranked_aminophenols_m68_7.mol2 │ ├── ranked_aminophenols_m68_8.mol2 │ └── ranked_aminophenols_m68_9.mol2 ├── aminophenols_m81 │ ├── aminophenols_m81.rnk │ ├── gold_aminophenols_m81.log │ ├── gold_aminophenols_m81.mol2 │ ├── gold_soln_aminophenols_m81_1.mol2 │ ├── gold_soln_aminophenols_m81_10.mol2 │ ├── gold_soln_aminophenols_m81_11.mol2 │ ├── gold_soln_aminophenols_m81_12.mol2 │ ├── gold_soln_aminophenols_m81_13.mol2 │ ├── gold_soln_aminophenols_m81_14.mol2 │ ├── gold_soln_aminophenols_m81_15.mol2 │ ├── gold_soln_aminophenols_m81_16.mol2 │ ├── gold_soln_aminophenols_m81_17.mol2 │ ├── gold_soln_aminophenols_m81_18.mol2 │ ├── gold_soln_aminophenols_m81_19.mol2 │ ├── gold_soln_aminophenols_m81_2.mol2 │ ├── gold_soln_aminophenols_m81_20.mol2 │ ├── gold_soln_aminophenols_m81_3.mol2 │ ├── gold_soln_aminophenols_m81_4.mol2 │ ├── gold_soln_aminophenols_m81_5.mol2 │ ├── gold_soln_aminophenols_m81_6.mol2 │ ├── gold_soln_aminophenols_m81_7.mol2 │ ├── gold_soln_aminophenols_m81_8.mol2 │ ├── gold_soln_aminophenols_m81_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m81_1.mol2 │ ├── ranked_aminophenols_m81_10.mol2 │ ├── ranked_aminophenols_m81_11.mol2 │ ├── ranked_aminophenols_m81_12.mol2 │ ├── ranked_aminophenols_m81_13.mol2 │ ├── ranked_aminophenols_m81_14.mol2 │ ├── ranked_aminophenols_m81_15.mol2 │ ├── ranked_aminophenols_m81_16.mol2 │ ├── ranked_aminophenols_m81_17.mol2 │ ├── ranked_aminophenols_m81_18.mol2 │ ├── ranked_aminophenols_m81_19.mol2 │ ├── ranked_aminophenols_m81_2.mol2 │ ├── ranked_aminophenols_m81_20.mol2 │ ├── ranked_aminophenols_m81_3.mol2 │ ├── ranked_aminophenols_m81_4.mol2 │ ├── ranked_aminophenols_m81_5.mol2 │ ├── ranked_aminophenols_m81_6.mol2 │ ├── ranked_aminophenols_m81_7.mol2 │ ├── ranked_aminophenols_m81_8.mol2 │ └── ranked_aminophenols_m81_9.mol2 ├── aminophenols_m93 │ ├── aminophenols_m93.rnk │ ├── gold_aminophenols_m93.log │ ├── gold_aminophenols_m93.mol2 │ ├── gold_soln_aminophenols_m93_1.mol2 │ ├── gold_soln_aminophenols_m93_10.mol2 │ ├── gold_soln_aminophenols_m93_11.mol2 │ ├── gold_soln_aminophenols_m93_12.mol2 │ ├── gold_soln_aminophenols_m93_13.mol2 │ ├── gold_soln_aminophenols_m93_14.mol2 │ ├── gold_soln_aminophenols_m93_15.mol2 │ ├── gold_soln_aminophenols_m93_16.mol2 │ ├── gold_soln_aminophenols_m93_17.mol2 │ ├── gold_soln_aminophenols_m93_18.mol2 │ ├── gold_soln_aminophenols_m93_19.mol2 │ ├── gold_soln_aminophenols_m93_2.mol2 │ ├── gold_soln_aminophenols_m93_20.mol2 │ ├── gold_soln_aminophenols_m93_3.mol2 │ ├── gold_soln_aminophenols_m93_4.mol2 │ ├── gold_soln_aminophenols_m93_5.mol2 │ ├── gold_soln_aminophenols_m93_6.mol2 │ ├── gold_soln_aminophenols_m93_7.mol2 │ ├── gold_soln_aminophenols_m93_8.mol2 │ ├── gold_soln_aminophenols_m93_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m93_1.mol2 │ ├── ranked_aminophenols_m93_10.mol2 │ ├── ranked_aminophenols_m93_11.mol2 │ ├── ranked_aminophenols_m93_12.mol2 │ ├── ranked_aminophenols_m93_13.mol2 │ ├── ranked_aminophenols_m93_14.mol2 │ ├── ranked_aminophenols_m93_15.mol2 │ ├── ranked_aminophenols_m93_16.mol2 │ ├── ranked_aminophenols_m93_17.mol2 │ ├── ranked_aminophenols_m93_18.mol2 │ ├── ranked_aminophenols_m93_19.mol2 │ ├── ranked_aminophenols_m93_2.mol2 │ ├── ranked_aminophenols_m93_20.mol2 │ ├── ranked_aminophenols_m93_3.mol2 │ ├── ranked_aminophenols_m93_4.mol2 │ ├── ranked_aminophenols_m93_5.mol2 │ ├── ranked_aminophenols_m93_6.mol2 │ ├── ranked_aminophenols_m93_7.mol2 │ ├── ranked_aminophenols_m93_8.mol2 │ └── ranked_aminophenols_m93_9.mol2 ├── aminophenols_m94 │ ├── aminophenols_m94.rnk │ ├── gold_aminophenols_m94.log │ ├── gold_aminophenols_m94.mol2 │ ├── gold_soln_aminophenols_m94_1.mol2 │ ├── gold_soln_aminophenols_m94_10.mol2 │ ├── gold_soln_aminophenols_m94_11.mol2 │ ├── gold_soln_aminophenols_m94_12.mol2 │ ├── gold_soln_aminophenols_m94_13.mol2 │ ├── gold_soln_aminophenols_m94_14.mol2 │ ├── gold_soln_aminophenols_m94_15.mol2 │ ├── gold_soln_aminophenols_m94_16.mol2 │ ├── gold_soln_aminophenols_m94_17.mol2 │ ├── gold_soln_aminophenols_m94_18.mol2 │ ├── gold_soln_aminophenols_m94_19.mol2 │ ├── gold_soln_aminophenols_m94_2.mol2 │ ├── gold_soln_aminophenols_m94_20.mol2 │ ├── gold_soln_aminophenols_m94_3.mol2 │ ├── gold_soln_aminophenols_m94_4.mol2 │ ├── gold_soln_aminophenols_m94_5.mol2 │ ├── gold_soln_aminophenols_m94_6.mol2 │ ├── gold_soln_aminophenols_m94_7.mol2 │ ├── gold_soln_aminophenols_m94_8.mol2 │ ├── gold_soln_aminophenols_m94_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m94_1.mol2 │ ├── ranked_aminophenols_m94_10.mol2 │ ├── ranked_aminophenols_m94_11.mol2 │ ├── ranked_aminophenols_m94_12.mol2 │ ├── ranked_aminophenols_m94_13.mol2 │ ├── ranked_aminophenols_m94_14.mol2 │ ├── ranked_aminophenols_m94_15.mol2 │ ├── ranked_aminophenols_m94_16.mol2 │ ├── ranked_aminophenols_m94_17.mol2 │ ├── ranked_aminophenols_m94_18.mol2 │ ├── ranked_aminophenols_m94_19.mol2 │ ├── ranked_aminophenols_m94_2.mol2 │ ├── ranked_aminophenols_m94_20.mol2 │ ├── ranked_aminophenols_m94_3.mol2 │ ├── ranked_aminophenols_m94_4.mol2 │ ├── ranked_aminophenols_m94_5.mol2 │ ├── ranked_aminophenols_m94_6.mol2 │ ├── ranked_aminophenols_m94_7.mol2 │ ├── ranked_aminophenols_m94_8.mol2 │ └── ranked_aminophenols_m94_9.mol2 ├── aminophenols_m96 │ ├── aminophenols_m96.rnk │ ├── gold_aminophenols_m96.log │ ├── gold_aminophenols_m96.mol2 │ ├── gold_soln_aminophenols_m96_1.mol2 │ ├── gold_soln_aminophenols_m96_10.mol2 │ ├── gold_soln_aminophenols_m96_11.mol2 │ ├── gold_soln_aminophenols_m96_12.mol2 │ ├── gold_soln_aminophenols_m96_13.mol2 │ ├── gold_soln_aminophenols_m96_14.mol2 │ ├── gold_soln_aminophenols_m96_15.mol2 │ ├── gold_soln_aminophenols_m96_16.mol2 │ ├── gold_soln_aminophenols_m96_17.mol2 │ ├── gold_soln_aminophenols_m96_18.mol2 │ ├── gold_soln_aminophenols_m96_19.mol2 │ ├── gold_soln_aminophenols_m96_2.mol2 │ ├── gold_soln_aminophenols_m96_20.mol2 │ ├── gold_soln_aminophenols_m96_3.mol2 │ ├── gold_soln_aminophenols_m96_4.mol2 │ ├── gold_soln_aminophenols_m96_5.mol2 │ ├── gold_soln_aminophenols_m96_6.mol2 │ ├── gold_soln_aminophenols_m96_7.mol2 │ ├── gold_soln_aminophenols_m96_8.mol2 │ ├── gold_soln_aminophenols_m96_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_aminophenols_m96_1.mol2 │ ├── ranked_aminophenols_m96_10.mol2 │ ├── ranked_aminophenols_m96_11.mol2 │ ├── ranked_aminophenols_m96_12.mol2 │ ├── ranked_aminophenols_m96_13.mol2 │ ├── ranked_aminophenols_m96_14.mol2 │ ├── ranked_aminophenols_m96_15.mol2 │ ├── ranked_aminophenols_m96_16.mol2 │ ├── ranked_aminophenols_m96_17.mol2 │ ├── ranked_aminophenols_m96_18.mol2 │ ├── ranked_aminophenols_m96_19.mol2 │ ├── ranked_aminophenols_m96_2.mol2 │ ├── ranked_aminophenols_m96_20.mol2 │ ├── ranked_aminophenols_m96_3.mol2 │ ├── ranked_aminophenols_m96_4.mol2 │ ├── ranked_aminophenols_m96_5.mol2 │ ├── ranked_aminophenols_m96_6.mol2 │ ├── ranked_aminophenols_m96_7.mol2 │ ├── ranked_aminophenols_m96_8.mol2 │ └── ranked_aminophenols_m96_9.mol2 ├── benzaldehydes_m1 │ ├── benzaldehydes_m1.rnk │ ├── gold_benzaldehydes_m1.log │ ├── gold_benzaldehydes_m1.mol2 │ ├── gold_soln_benzaldehydes_m1_1.mol2 │ ├── gold_soln_benzaldehydes_m1_10.mol2 │ ├── gold_soln_benzaldehydes_m1_11.mol2 │ ├── gold_soln_benzaldehydes_m1_12.mol2 │ ├── gold_soln_benzaldehydes_m1_13.mol2 │ ├── gold_soln_benzaldehydes_m1_14.mol2 │ ├── gold_soln_benzaldehydes_m1_15.mol2 │ ├── gold_soln_benzaldehydes_m1_16.mol2 │ ├── gold_soln_benzaldehydes_m1_17.mol2 │ ├── gold_soln_benzaldehydes_m1_18.mol2 │ ├── gold_soln_benzaldehydes_m1_19.mol2 │ ├── gold_soln_benzaldehydes_m1_2.mol2 │ ├── gold_soln_benzaldehydes_m1_20.mol2 │ ├── gold_soln_benzaldehydes_m1_3.mol2 │ ├── gold_soln_benzaldehydes_m1_4.mol2 │ ├── gold_soln_benzaldehydes_m1_5.mol2 │ ├── gold_soln_benzaldehydes_m1_6.mol2 │ ├── gold_soln_benzaldehydes_m1_7.mol2 │ ├── gold_soln_benzaldehydes_m1_8.mol2 │ ├── gold_soln_benzaldehydes_m1_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m1_1.mol2 │ ├── ranked_benzaldehydes_m1_10.mol2 │ ├── ranked_benzaldehydes_m1_11.mol2 │ ├── ranked_benzaldehydes_m1_12.mol2 │ ├── ranked_benzaldehydes_m1_13.mol2 │ ├── ranked_benzaldehydes_m1_14.mol2 │ ├── ranked_benzaldehydes_m1_15.mol2 │ ├── ranked_benzaldehydes_m1_16.mol2 │ ├── ranked_benzaldehydes_m1_17.mol2 │ ├── ranked_benzaldehydes_m1_18.mol2 │ ├── ranked_benzaldehydes_m1_19.mol2 │ ├── ranked_benzaldehydes_m1_2.mol2 │ ├── ranked_benzaldehydes_m1_20.mol2 │ ├── ranked_benzaldehydes_m1_3.mol2 │ ├── ranked_benzaldehydes_m1_4.mol2 │ ├── ranked_benzaldehydes_m1_5.mol2 │ ├── ranked_benzaldehydes_m1_6.mol2 │ ├── ranked_benzaldehydes_m1_7.mol2 │ ├── ranked_benzaldehydes_m1_8.mol2 │ └── ranked_benzaldehydes_m1_9.mol2 ├── benzaldehydes_m135 │ ├── benzaldehydes_m135.rnk │ ├── gold_benzaldehydes_m135.log │ ├── gold_benzaldehydes_m135.mol2 │ ├── gold_soln_benzaldehydes_m135_1.mol2 │ ├── gold_soln_benzaldehydes_m135_10.mol2 │ ├── gold_soln_benzaldehydes_m135_11.mol2 │ ├── gold_soln_benzaldehydes_m135_12.mol2 │ ├── gold_soln_benzaldehydes_m135_13.mol2 │ ├── gold_soln_benzaldehydes_m135_14.mol2 │ ├── gold_soln_benzaldehydes_m135_15.mol2 │ ├── gold_soln_benzaldehydes_m135_16.mol2 │ ├── gold_soln_benzaldehydes_m135_17.mol2 │ ├── gold_soln_benzaldehydes_m135_18.mol2 │ ├── gold_soln_benzaldehydes_m135_19.mol2 │ ├── gold_soln_benzaldehydes_m135_2.mol2 │ ├── gold_soln_benzaldehydes_m135_20.mol2 │ ├── gold_soln_benzaldehydes_m135_3.mol2 │ ├── gold_soln_benzaldehydes_m135_4.mol2 │ ├── gold_soln_benzaldehydes_m135_5.mol2 │ ├── gold_soln_benzaldehydes_m135_6.mol2 │ ├── gold_soln_benzaldehydes_m135_7.mol2 │ ├── gold_soln_benzaldehydes_m135_8.mol2 │ ├── gold_soln_benzaldehydes_m135_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m135_1.mol2 │ ├── ranked_benzaldehydes_m135_10.mol2 │ ├── ranked_benzaldehydes_m135_11.mol2 │ ├── ranked_benzaldehydes_m135_12.mol2 │ ├── ranked_benzaldehydes_m135_13.mol2 │ ├── ranked_benzaldehydes_m135_14.mol2 │ ├── ranked_benzaldehydes_m135_15.mol2 │ ├── ranked_benzaldehydes_m135_16.mol2 │ ├── ranked_benzaldehydes_m135_17.mol2 │ ├── ranked_benzaldehydes_m135_18.mol2 │ ├── ranked_benzaldehydes_m135_19.mol2 │ ├── ranked_benzaldehydes_m135_2.mol2 │ ├── ranked_benzaldehydes_m135_20.mol2 │ ├── ranked_benzaldehydes_m135_3.mol2 │ ├── ranked_benzaldehydes_m135_4.mol2 │ ├── ranked_benzaldehydes_m135_5.mol2 │ ├── ranked_benzaldehydes_m135_6.mol2 │ ├── ranked_benzaldehydes_m135_7.mol2 │ ├── ranked_benzaldehydes_m135_8.mol2 │ └── ranked_benzaldehydes_m135_9.mol2 ├── benzaldehydes_m148 │ ├── benzaldehydes_m148.rnk │ ├── gold_benzaldehydes_m148.log │ ├── gold_benzaldehydes_m148.mol2 │ ├── gold_soln_benzaldehydes_m148_1.mol2 │ ├── gold_soln_benzaldehydes_m148_10.mol2 │ ├── gold_soln_benzaldehydes_m148_11.mol2 │ ├── gold_soln_benzaldehydes_m148_12.mol2 │ ├── gold_soln_benzaldehydes_m148_13.mol2 │ ├── gold_soln_benzaldehydes_m148_14.mol2 │ ├── gold_soln_benzaldehydes_m148_15.mol2 │ ├── gold_soln_benzaldehydes_m148_16.mol2 │ ├── gold_soln_benzaldehydes_m148_17.mol2 │ ├── gold_soln_benzaldehydes_m148_18.mol2 │ ├── gold_soln_benzaldehydes_m148_19.mol2 │ ├── gold_soln_benzaldehydes_m148_2.mol2 │ ├── gold_soln_benzaldehydes_m148_20.mol2 │ ├── gold_soln_benzaldehydes_m148_3.mol2 │ ├── gold_soln_benzaldehydes_m148_4.mol2 │ ├── gold_soln_benzaldehydes_m148_5.mol2 │ ├── gold_soln_benzaldehydes_m148_6.mol2 │ ├── gold_soln_benzaldehydes_m148_7.mol2 │ ├── gold_soln_benzaldehydes_m148_8.mol2 │ ├── gold_soln_benzaldehydes_m148_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m148_1.mol2 │ ├── ranked_benzaldehydes_m148_10.mol2 │ ├── ranked_benzaldehydes_m148_11.mol2 │ ├── ranked_benzaldehydes_m148_12.mol2 │ ├── ranked_benzaldehydes_m148_13.mol2 │ ├── ranked_benzaldehydes_m148_14.mol2 │ ├── ranked_benzaldehydes_m148_15.mol2 │ ├── ranked_benzaldehydes_m148_16.mol2 │ ├── ranked_benzaldehydes_m148_17.mol2 │ ├── ranked_benzaldehydes_m148_18.mol2 │ ├── ranked_benzaldehydes_m148_19.mol2 │ ├── ranked_benzaldehydes_m148_2.mol2 │ ├── ranked_benzaldehydes_m148_20.mol2 │ ├── ranked_benzaldehydes_m148_3.mol2 │ ├── ranked_benzaldehydes_m148_4.mol2 │ ├── ranked_benzaldehydes_m148_5.mol2 │ ├── ranked_benzaldehydes_m148_6.mol2 │ ├── ranked_benzaldehydes_m148_7.mol2 │ ├── ranked_benzaldehydes_m148_8.mol2 │ └── ranked_benzaldehydes_m148_9.mol2 ├── benzaldehydes_m192 │ ├── benzaldehydes_m192.rnk │ ├── gold_benzaldehydes_m192.log │ ├── gold_benzaldehydes_m192.mol2 │ ├── gold_soln_benzaldehydes_m192_1.mol2 │ ├── gold_soln_benzaldehydes_m192_10.mol2 │ ├── gold_soln_benzaldehydes_m192_11.mol2 │ ├── gold_soln_benzaldehydes_m192_12.mol2 │ ├── gold_soln_benzaldehydes_m192_13.mol2 │ ├── gold_soln_benzaldehydes_m192_14.mol2 │ ├── gold_soln_benzaldehydes_m192_15.mol2 │ ├── gold_soln_benzaldehydes_m192_16.mol2 │ ├── gold_soln_benzaldehydes_m192_17.mol2 │ ├── gold_soln_benzaldehydes_m192_18.mol2 │ ├── gold_soln_benzaldehydes_m192_19.mol2 │ ├── gold_soln_benzaldehydes_m192_2.mol2 │ ├── gold_soln_benzaldehydes_m192_20.mol2 │ ├── gold_soln_benzaldehydes_m192_3.mol2 │ ├── gold_soln_benzaldehydes_m192_4.mol2 │ ├── gold_soln_benzaldehydes_m192_5.mol2 │ ├── gold_soln_benzaldehydes_m192_6.mol2 │ ├── gold_soln_benzaldehydes_m192_7.mol2 │ ├── gold_soln_benzaldehydes_m192_8.mol2 │ ├── gold_soln_benzaldehydes_m192_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m192_1.mol2 │ ├── ranked_benzaldehydes_m192_10.mol2 │ ├── ranked_benzaldehydes_m192_11.mol2 │ ├── ranked_benzaldehydes_m192_12.mol2 │ ├── ranked_benzaldehydes_m192_13.mol2 │ ├── ranked_benzaldehydes_m192_14.mol2 │ ├── ranked_benzaldehydes_m192_15.mol2 │ ├── ranked_benzaldehydes_m192_16.mol2 │ ├── ranked_benzaldehydes_m192_17.mol2 │ ├── ranked_benzaldehydes_m192_18.mol2 │ ├── ranked_benzaldehydes_m192_19.mol2 │ ├── ranked_benzaldehydes_m192_2.mol2 │ ├── ranked_benzaldehydes_m192_20.mol2 │ ├── ranked_benzaldehydes_m192_3.mol2 │ ├── ranked_benzaldehydes_m192_4.mol2 │ ├── ranked_benzaldehydes_m192_5.mol2 │ ├── ranked_benzaldehydes_m192_6.mol2 │ ├── ranked_benzaldehydes_m192_7.mol2 │ ├── ranked_benzaldehydes_m192_8.mol2 │ └── ranked_benzaldehydes_m192_9.mol2 ├── benzaldehydes_m205 │ ├── benzaldehydes_m205.rnk │ ├── gold_benzaldehydes_m205.log │ ├── gold_benzaldehydes_m205.mol2 │ ├── gold_soln_benzaldehydes_m205_1.mol2 │ ├── gold_soln_benzaldehydes_m205_10.mol2 │ ├── gold_soln_benzaldehydes_m205_11.mol2 │ ├── gold_soln_benzaldehydes_m205_12.mol2 │ ├── gold_soln_benzaldehydes_m205_13.mol2 │ ├── gold_soln_benzaldehydes_m205_14.mol2 │ ├── gold_soln_benzaldehydes_m205_15.mol2 │ ├── gold_soln_benzaldehydes_m205_16.mol2 │ ├── gold_soln_benzaldehydes_m205_17.mol2 │ ├── gold_soln_benzaldehydes_m205_18.mol2 │ ├── gold_soln_benzaldehydes_m205_19.mol2 │ ├── gold_soln_benzaldehydes_m205_2.mol2 │ ├── gold_soln_benzaldehydes_m205_20.mol2 │ ├── gold_soln_benzaldehydes_m205_3.mol2 │ ├── gold_soln_benzaldehydes_m205_4.mol2 │ ├── gold_soln_benzaldehydes_m205_5.mol2 │ ├── gold_soln_benzaldehydes_m205_6.mol2 │ ├── gold_soln_benzaldehydes_m205_7.mol2 │ ├── gold_soln_benzaldehydes_m205_8.mol2 │ ├── gold_soln_benzaldehydes_m205_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m205_1.mol2 │ ├── ranked_benzaldehydes_m205_10.mol2 │ ├── ranked_benzaldehydes_m205_11.mol2 │ ├── ranked_benzaldehydes_m205_12.mol2 │ ├── ranked_benzaldehydes_m205_13.mol2 │ ├── ranked_benzaldehydes_m205_14.mol2 │ ├── ranked_benzaldehydes_m205_15.mol2 │ ├── ranked_benzaldehydes_m205_16.mol2 │ ├── ranked_benzaldehydes_m205_17.mol2 │ ├── ranked_benzaldehydes_m205_18.mol2 │ ├── ranked_benzaldehydes_m205_19.mol2 │ ├── ranked_benzaldehydes_m205_2.mol2 │ ├── ranked_benzaldehydes_m205_20.mol2 │ ├── ranked_benzaldehydes_m205_3.mol2 │ ├── ranked_benzaldehydes_m205_4.mol2 │ ├── ranked_benzaldehydes_m205_5.mol2 │ ├── ranked_benzaldehydes_m205_6.mol2 │ ├── ranked_benzaldehydes_m205_7.mol2 │ ├── ranked_benzaldehydes_m205_8.mol2 │ └── ranked_benzaldehydes_m205_9.mol2 ├── benzaldehydes_m210 │ ├── benzaldehydes_m210.rnk │ ├── gold_benzaldehydes_m210.log │ ├── gold_benzaldehydes_m210.mol2 │ ├── gold_soln_benzaldehydes_m210_1.mol2 │ ├── gold_soln_benzaldehydes_m210_10.mol2 │ ├── gold_soln_benzaldehydes_m210_11.mol2 │ ├── gold_soln_benzaldehydes_m210_12.mol2 │ ├── gold_soln_benzaldehydes_m210_13.mol2 │ ├── gold_soln_benzaldehydes_m210_14.mol2 │ ├── gold_soln_benzaldehydes_m210_15.mol2 │ ├── gold_soln_benzaldehydes_m210_16.mol2 │ ├── gold_soln_benzaldehydes_m210_17.mol2 │ ├── gold_soln_benzaldehydes_m210_18.mol2 │ ├── gold_soln_benzaldehydes_m210_19.mol2 │ ├── gold_soln_benzaldehydes_m210_2.mol2 │ ├── gold_soln_benzaldehydes_m210_20.mol2 │ ├── gold_soln_benzaldehydes_m210_3.mol2 │ ├── gold_soln_benzaldehydes_m210_4.mol2 │ ├── gold_soln_benzaldehydes_m210_5.mol2 │ ├── gold_soln_benzaldehydes_m210_6.mol2 │ ├── gold_soln_benzaldehydes_m210_7.mol2 │ ├── gold_soln_benzaldehydes_m210_8.mol2 │ ├── gold_soln_benzaldehydes_m210_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m210_1.mol2 │ ├── ranked_benzaldehydes_m210_10.mol2 │ ├── ranked_benzaldehydes_m210_11.mol2 │ ├── ranked_benzaldehydes_m210_12.mol2 │ ├── ranked_benzaldehydes_m210_13.mol2 │ ├── ranked_benzaldehydes_m210_14.mol2 │ ├── ranked_benzaldehydes_m210_15.mol2 │ ├── ranked_benzaldehydes_m210_16.mol2 │ ├── ranked_benzaldehydes_m210_17.mol2 │ ├── ranked_benzaldehydes_m210_18.mol2 │ ├── ranked_benzaldehydes_m210_19.mol2 │ ├── ranked_benzaldehydes_m210_2.mol2 │ ├── ranked_benzaldehydes_m210_20.mol2 │ ├── ranked_benzaldehydes_m210_3.mol2 │ ├── ranked_benzaldehydes_m210_4.mol2 │ ├── ranked_benzaldehydes_m210_5.mol2 │ ├── ranked_benzaldehydes_m210_6.mol2 │ ├── ranked_benzaldehydes_m210_7.mol2 │ ├── ranked_benzaldehydes_m210_8.mol2 │ └── ranked_benzaldehydes_m210_9.mol2 ├── benzaldehydes_m24 │ ├── benzaldehydes_m24.rnk │ ├── gold_benzaldehydes_m24.log │ ├── gold_benzaldehydes_m24.mol2 │ ├── gold_soln_benzaldehydes_m24_1.mol2 │ ├── gold_soln_benzaldehydes_m24_10.mol2 │ ├── gold_soln_benzaldehydes_m24_11.mol2 │ ├── gold_soln_benzaldehydes_m24_12.mol2 │ ├── gold_soln_benzaldehydes_m24_13.mol2 │ ├── gold_soln_benzaldehydes_m24_14.mol2 │ ├── gold_soln_benzaldehydes_m24_15.mol2 │ ├── gold_soln_benzaldehydes_m24_16.mol2 │ ├── gold_soln_benzaldehydes_m24_17.mol2 │ ├── gold_soln_benzaldehydes_m24_18.mol2 │ ├── gold_soln_benzaldehydes_m24_19.mol2 │ ├── gold_soln_benzaldehydes_m24_2.mol2 │ ├── gold_soln_benzaldehydes_m24_20.mol2 │ ├── gold_soln_benzaldehydes_m24_3.mol2 │ ├── gold_soln_benzaldehydes_m24_4.mol2 │ ├── gold_soln_benzaldehydes_m24_5.mol2 │ ├── gold_soln_benzaldehydes_m24_6.mol2 │ ├── gold_soln_benzaldehydes_m24_7.mol2 │ ├── gold_soln_benzaldehydes_m24_8.mol2 │ ├── gold_soln_benzaldehydes_m24_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m24_1.mol2 │ ├── ranked_benzaldehydes_m24_10.mol2 │ ├── ranked_benzaldehydes_m24_11.mol2 │ ├── ranked_benzaldehydes_m24_12.mol2 │ ├── ranked_benzaldehydes_m24_13.mol2 │ ├── ranked_benzaldehydes_m24_14.mol2 │ ├── ranked_benzaldehydes_m24_15.mol2 │ ├── ranked_benzaldehydes_m24_16.mol2 │ ├── ranked_benzaldehydes_m24_17.mol2 │ ├── ranked_benzaldehydes_m24_18.mol2 │ ├── ranked_benzaldehydes_m24_19.mol2 │ ├── ranked_benzaldehydes_m24_2.mol2 │ ├── ranked_benzaldehydes_m24_20.mol2 │ ├── ranked_benzaldehydes_m24_3.mol2 │ ├── ranked_benzaldehydes_m24_4.mol2 │ ├── ranked_benzaldehydes_m24_5.mol2 │ ├── ranked_benzaldehydes_m24_6.mol2 │ ├── ranked_benzaldehydes_m24_7.mol2 │ ├── ranked_benzaldehydes_m24_8.mol2 │ └── ranked_benzaldehydes_m24_9.mol2 ├── benzaldehydes_m27 │ ├── benzaldehydes_m27.rnk │ ├── gold_benzaldehydes_m27.log │ ├── gold_benzaldehydes_m27.mol2 │ ├── gold_soln_benzaldehydes_m27_1.mol2 │ ├── gold_soln_benzaldehydes_m27_10.mol2 │ ├── gold_soln_benzaldehydes_m27_11.mol2 │ ├── gold_soln_benzaldehydes_m27_12.mol2 │ ├── gold_soln_benzaldehydes_m27_13.mol2 │ ├── gold_soln_benzaldehydes_m27_14.mol2 │ ├── gold_soln_benzaldehydes_m27_15.mol2 │ ├── gold_soln_benzaldehydes_m27_16.mol2 │ ├── gold_soln_benzaldehydes_m27_17.mol2 │ ├── gold_soln_benzaldehydes_m27_18.mol2 │ ├── gold_soln_benzaldehydes_m27_19.mol2 │ ├── gold_soln_benzaldehydes_m27_2.mol2 │ ├── gold_soln_benzaldehydes_m27_20.mol2 │ ├── gold_soln_benzaldehydes_m27_3.mol2 │ ├── gold_soln_benzaldehydes_m27_4.mol2 │ ├── gold_soln_benzaldehydes_m27_5.mol2 │ ├── gold_soln_benzaldehydes_m27_6.mol2 │ ├── gold_soln_benzaldehydes_m27_7.mol2 │ ├── gold_soln_benzaldehydes_m27_8.mol2 │ ├── gold_soln_benzaldehydes_m27_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m27_1.mol2 │ ├── ranked_benzaldehydes_m27_10.mol2 │ ├── ranked_benzaldehydes_m27_11.mol2 │ ├── ranked_benzaldehydes_m27_12.mol2 │ ├── ranked_benzaldehydes_m27_13.mol2 │ ├── ranked_benzaldehydes_m27_14.mol2 │ ├── ranked_benzaldehydes_m27_15.mol2 │ ├── ranked_benzaldehydes_m27_16.mol2 │ ├── ranked_benzaldehydes_m27_17.mol2 │ ├── ranked_benzaldehydes_m27_18.mol2 │ ├── ranked_benzaldehydes_m27_19.mol2 │ ├── ranked_benzaldehydes_m27_2.mol2 │ ├── ranked_benzaldehydes_m27_20.mol2 │ ├── ranked_benzaldehydes_m27_3.mol2 │ ├── ranked_benzaldehydes_m27_4.mol2 │ ├── ranked_benzaldehydes_m27_5.mol2 │ ├── ranked_benzaldehydes_m27_6.mol2 │ ├── ranked_benzaldehydes_m27_7.mol2 │ ├── ranked_benzaldehydes_m27_8.mol2 │ └── ranked_benzaldehydes_m27_9.mol2 ├── benzaldehydes_m29 │ ├── benzaldehydes_m29.rnk │ ├── gold_benzaldehydes_m29.log │ ├── gold_benzaldehydes_m29.mol2 │ ├── gold_soln_benzaldehydes_m29_1.mol2 │ ├── gold_soln_benzaldehydes_m29_10.mol2 │ ├── gold_soln_benzaldehydes_m29_11.mol2 │ ├── gold_soln_benzaldehydes_m29_12.mol2 │ ├── gold_soln_benzaldehydes_m29_13.mol2 │ ├── gold_soln_benzaldehydes_m29_14.mol2 │ ├── gold_soln_benzaldehydes_m29_15.mol2 │ ├── gold_soln_benzaldehydes_m29_16.mol2 │ ├── gold_soln_benzaldehydes_m29_17.mol2 │ ├── gold_soln_benzaldehydes_m29_18.mol2 │ ├── gold_soln_benzaldehydes_m29_19.mol2 │ ├── gold_soln_benzaldehydes_m29_2.mol2 │ ├── gold_soln_benzaldehydes_m29_20.mol2 │ ├── gold_soln_benzaldehydes_m29_3.mol2 │ ├── gold_soln_benzaldehydes_m29_4.mol2 │ ├── gold_soln_benzaldehydes_m29_5.mol2 │ ├── gold_soln_benzaldehydes_m29_6.mol2 │ ├── gold_soln_benzaldehydes_m29_7.mol2 │ ├── gold_soln_benzaldehydes_m29_8.mol2 │ ├── gold_soln_benzaldehydes_m29_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m29_1.mol2 │ ├── ranked_benzaldehydes_m29_10.mol2 │ ├── ranked_benzaldehydes_m29_11.mol2 │ ├── ranked_benzaldehydes_m29_12.mol2 │ ├── ranked_benzaldehydes_m29_13.mol2 │ ├── ranked_benzaldehydes_m29_14.mol2 │ ├── ranked_benzaldehydes_m29_15.mol2 │ ├── ranked_benzaldehydes_m29_16.mol2 │ ├── ranked_benzaldehydes_m29_17.mol2 │ ├── ranked_benzaldehydes_m29_18.mol2 │ ├── ranked_benzaldehydes_m29_19.mol2 │ ├── ranked_benzaldehydes_m29_2.mol2 │ ├── ranked_benzaldehydes_m29_20.mol2 │ ├── ranked_benzaldehydes_m29_3.mol2 │ ├── ranked_benzaldehydes_m29_4.mol2 │ ├── ranked_benzaldehydes_m29_5.mol2 │ ├── ranked_benzaldehydes_m29_6.mol2 │ ├── ranked_benzaldehydes_m29_7.mol2 │ ├── ranked_benzaldehydes_m29_8.mol2 │ └── ranked_benzaldehydes_m29_9.mol2 ├── benzaldehydes_m293 │ ├── benzaldehydes_m293.rnk │ ├── gold_benzaldehydes_m293.log │ ├── gold_benzaldehydes_m293.mol2 │ ├── gold_soln_benzaldehydes_m293_1.mol2 │ ├── gold_soln_benzaldehydes_m293_10.mol2 │ ├── gold_soln_benzaldehydes_m293_11.mol2 │ ├── gold_soln_benzaldehydes_m293_12.mol2 │ ├── gold_soln_benzaldehydes_m293_13.mol2 │ ├── gold_soln_benzaldehydes_m293_14.mol2 │ ├── gold_soln_benzaldehydes_m293_15.mol2 │ ├── gold_soln_benzaldehydes_m293_16.mol2 │ ├── gold_soln_benzaldehydes_m293_17.mol2 │ ├── gold_soln_benzaldehydes_m293_18.mol2 │ ├── gold_soln_benzaldehydes_m293_19.mol2 │ ├── gold_soln_benzaldehydes_m293_2.mol2 │ ├── gold_soln_benzaldehydes_m293_20.mol2 │ ├── gold_soln_benzaldehydes_m293_3.mol2 │ ├── gold_soln_benzaldehydes_m293_4.mol2 │ ├── gold_soln_benzaldehydes_m293_5.mol2 │ ├── gold_soln_benzaldehydes_m293_6.mol2 │ ├── gold_soln_benzaldehydes_m293_7.mol2 │ ├── gold_soln_benzaldehydes_m293_8.mol2 │ ├── gold_soln_benzaldehydes_m293_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m293_1.mol2 │ ├── ranked_benzaldehydes_m293_10.mol2 │ ├── ranked_benzaldehydes_m293_11.mol2 │ ├── ranked_benzaldehydes_m293_12.mol2 │ ├── ranked_benzaldehydes_m293_13.mol2 │ ├── ranked_benzaldehydes_m293_14.mol2 │ ├── ranked_benzaldehydes_m293_15.mol2 │ ├── ranked_benzaldehydes_m293_16.mol2 │ ├── ranked_benzaldehydes_m293_17.mol2 │ ├── ranked_benzaldehydes_m293_18.mol2 │ ├── ranked_benzaldehydes_m293_19.mol2 │ ├── ranked_benzaldehydes_m293_2.mol2 │ ├── ranked_benzaldehydes_m293_20.mol2 │ ├── ranked_benzaldehydes_m293_3.mol2 │ ├── ranked_benzaldehydes_m293_4.mol2 │ ├── ranked_benzaldehydes_m293_5.mol2 │ ├── ranked_benzaldehydes_m293_6.mol2 │ ├── ranked_benzaldehydes_m293_7.mol2 │ ├── ranked_benzaldehydes_m293_8.mol2 │ └── ranked_benzaldehydes_m293_9.mol2 ├── benzaldehydes_m30 │ ├── benzaldehydes_m30.rnk │ ├── gold_benzaldehydes_m30.log │ ├── gold_benzaldehydes_m30.mol2 │ ├── gold_soln_benzaldehydes_m30_1.mol2 │ ├── gold_soln_benzaldehydes_m30_10.mol2 │ ├── gold_soln_benzaldehydes_m30_11.mol2 │ ├── gold_soln_benzaldehydes_m30_12.mol2 │ ├── gold_soln_benzaldehydes_m30_13.mol2 │ ├── gold_soln_benzaldehydes_m30_14.mol2 │ ├── gold_soln_benzaldehydes_m30_15.mol2 │ ├── gold_soln_benzaldehydes_m30_16.mol2 │ ├── gold_soln_benzaldehydes_m30_17.mol2 │ ├── gold_soln_benzaldehydes_m30_18.mol2 │ ├── gold_soln_benzaldehydes_m30_19.mol2 │ ├── gold_soln_benzaldehydes_m30_2.mol2 │ ├── gold_soln_benzaldehydes_m30_20.mol2 │ ├── gold_soln_benzaldehydes_m30_3.mol2 │ ├── gold_soln_benzaldehydes_m30_4.mol2 │ ├── gold_soln_benzaldehydes_m30_5.mol2 │ ├── gold_soln_benzaldehydes_m30_6.mol2 │ ├── gold_soln_benzaldehydes_m30_7.mol2 │ ├── gold_soln_benzaldehydes_m30_8.mol2 │ ├── gold_soln_benzaldehydes_m30_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m30_1.mol2 │ ├── ranked_benzaldehydes_m30_10.mol2 │ ├── ranked_benzaldehydes_m30_11.mol2 │ ├── ranked_benzaldehydes_m30_12.mol2 │ ├── ranked_benzaldehydes_m30_13.mol2 │ ├── ranked_benzaldehydes_m30_14.mol2 │ ├── ranked_benzaldehydes_m30_15.mol2 │ ├── ranked_benzaldehydes_m30_16.mol2 │ ├── ranked_benzaldehydes_m30_17.mol2 │ ├── ranked_benzaldehydes_m30_18.mol2 │ ├── ranked_benzaldehydes_m30_19.mol2 │ ├── ranked_benzaldehydes_m30_2.mol2 │ ├── ranked_benzaldehydes_m30_20.mol2 │ ├── ranked_benzaldehydes_m30_3.mol2 │ ├── ranked_benzaldehydes_m30_4.mol2 │ ├── ranked_benzaldehydes_m30_5.mol2 │ ├── ranked_benzaldehydes_m30_6.mol2 │ ├── ranked_benzaldehydes_m30_7.mol2 │ ├── ranked_benzaldehydes_m30_8.mol2 │ └── ranked_benzaldehydes_m30_9.mol2 ├── benzaldehydes_m307 │ ├── benzaldehydes_m307.rnk │ ├── gold_benzaldehydes_m307.log │ ├── gold_benzaldehydes_m307.mol2 │ ├── gold_soln_benzaldehydes_m307_1.mol2 │ ├── gold_soln_benzaldehydes_m307_10.mol2 │ ├── gold_soln_benzaldehydes_m307_11.mol2 │ ├── gold_soln_benzaldehydes_m307_12.mol2 │ ├── gold_soln_benzaldehydes_m307_13.mol2 │ ├── gold_soln_benzaldehydes_m307_14.mol2 │ ├── gold_soln_benzaldehydes_m307_15.mol2 │ ├── gold_soln_benzaldehydes_m307_16.mol2 │ ├── gold_soln_benzaldehydes_m307_17.mol2 │ ├── gold_soln_benzaldehydes_m307_18.mol2 │ ├── gold_soln_benzaldehydes_m307_19.mol2 │ ├── gold_soln_benzaldehydes_m307_2.mol2 │ ├── gold_soln_benzaldehydes_m307_20.mol2 │ ├── gold_soln_benzaldehydes_m307_3.mol2 │ ├── gold_soln_benzaldehydes_m307_4.mol2 │ ├── gold_soln_benzaldehydes_m307_5.mol2 │ ├── gold_soln_benzaldehydes_m307_6.mol2 │ ├── gold_soln_benzaldehydes_m307_7.mol2 │ ├── gold_soln_benzaldehydes_m307_8.mol2 │ ├── gold_soln_benzaldehydes_m307_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m307_1.mol2 │ ├── ranked_benzaldehydes_m307_10.mol2 │ ├── ranked_benzaldehydes_m307_11.mol2 │ ├── ranked_benzaldehydes_m307_12.mol2 │ ├── ranked_benzaldehydes_m307_13.mol2 │ ├── ranked_benzaldehydes_m307_14.mol2 │ ├── ranked_benzaldehydes_m307_15.mol2 │ ├── ranked_benzaldehydes_m307_16.mol2 │ ├── ranked_benzaldehydes_m307_17.mol2 │ ├── ranked_benzaldehydes_m307_18.mol2 │ ├── ranked_benzaldehydes_m307_19.mol2 │ ├── ranked_benzaldehydes_m307_2.mol2 │ ├── ranked_benzaldehydes_m307_20.mol2 │ ├── ranked_benzaldehydes_m307_3.mol2 │ ├── ranked_benzaldehydes_m307_4.mol2 │ ├── ranked_benzaldehydes_m307_5.mol2 │ ├── ranked_benzaldehydes_m307_6.mol2 │ ├── ranked_benzaldehydes_m307_7.mol2 │ ├── ranked_benzaldehydes_m307_8.mol2 │ └── ranked_benzaldehydes_m307_9.mol2 ├── benzaldehydes_m310 │ ├── benzaldehydes_m310.rnk │ ├── gold_benzaldehydes_m310.log │ ├── gold_benzaldehydes_m310.mol2 │ ├── gold_soln_benzaldehydes_m310_1.mol2 │ ├── gold_soln_benzaldehydes_m310_10.mol2 │ ├── gold_soln_benzaldehydes_m310_11.mol2 │ ├── gold_soln_benzaldehydes_m310_12.mol2 │ ├── gold_soln_benzaldehydes_m310_13.mol2 │ ├── gold_soln_benzaldehydes_m310_14.mol2 │ ├── gold_soln_benzaldehydes_m310_15.mol2 │ ├── gold_soln_benzaldehydes_m310_16.mol2 │ ├── gold_soln_benzaldehydes_m310_17.mol2 │ ├── gold_soln_benzaldehydes_m310_18.mol2 │ ├── gold_soln_benzaldehydes_m310_19.mol2 │ ├── gold_soln_benzaldehydes_m310_2.mol2 │ ├── gold_soln_benzaldehydes_m310_20.mol2 │ ├── gold_soln_benzaldehydes_m310_3.mol2 │ ├── gold_soln_benzaldehydes_m310_4.mol2 │ ├── gold_soln_benzaldehydes_m310_5.mol2 │ ├── gold_soln_benzaldehydes_m310_6.mol2 │ ├── gold_soln_benzaldehydes_m310_7.mol2 │ ├── gold_soln_benzaldehydes_m310_8.mol2 │ ├── gold_soln_benzaldehydes_m310_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m310_1.mol2 │ ├── ranked_benzaldehydes_m310_10.mol2 │ ├── ranked_benzaldehydes_m310_11.mol2 │ ├── ranked_benzaldehydes_m310_12.mol2 │ ├── ranked_benzaldehydes_m310_13.mol2 │ ├── ranked_benzaldehydes_m310_14.mol2 │ ├── ranked_benzaldehydes_m310_15.mol2 │ ├── ranked_benzaldehydes_m310_16.mol2 │ ├── ranked_benzaldehydes_m310_17.mol2 │ ├── ranked_benzaldehydes_m310_18.mol2 │ ├── ranked_benzaldehydes_m310_19.mol2 │ ├── ranked_benzaldehydes_m310_2.mol2 │ ├── ranked_benzaldehydes_m310_20.mol2 │ ├── ranked_benzaldehydes_m310_3.mol2 │ ├── ranked_benzaldehydes_m310_4.mol2 │ ├── ranked_benzaldehydes_m310_5.mol2 │ ├── ranked_benzaldehydes_m310_6.mol2 │ ├── ranked_benzaldehydes_m310_7.mol2 │ ├── ranked_benzaldehydes_m310_8.mol2 │ └── ranked_benzaldehydes_m310_9.mol2 ├── benzaldehydes_m354 │ ├── benzaldehydes_m354.rnk │ ├── gold_benzaldehydes_m354.log │ ├── gold_benzaldehydes_m354.mol2 │ ├── gold_soln_benzaldehydes_m354_1.mol2 │ ├── gold_soln_benzaldehydes_m354_10.mol2 │ ├── gold_soln_benzaldehydes_m354_11.mol2 │ ├── gold_soln_benzaldehydes_m354_12.mol2 │ ├── gold_soln_benzaldehydes_m354_13.mol2 │ ├── gold_soln_benzaldehydes_m354_14.mol2 │ ├── gold_soln_benzaldehydes_m354_15.mol2 │ ├── gold_soln_benzaldehydes_m354_16.mol2 │ ├── gold_soln_benzaldehydes_m354_17.mol2 │ ├── gold_soln_benzaldehydes_m354_18.mol2 │ ├── gold_soln_benzaldehydes_m354_19.mol2 │ ├── gold_soln_benzaldehydes_m354_2.mol2 │ ├── gold_soln_benzaldehydes_m354_20.mol2 │ ├── gold_soln_benzaldehydes_m354_3.mol2 │ ├── gold_soln_benzaldehydes_m354_4.mol2 │ ├── gold_soln_benzaldehydes_m354_5.mol2 │ ├── gold_soln_benzaldehydes_m354_6.mol2 │ ├── gold_soln_benzaldehydes_m354_7.mol2 │ ├── gold_soln_benzaldehydes_m354_8.mol2 │ ├── gold_soln_benzaldehydes_m354_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m354_1.mol2 │ ├── ranked_benzaldehydes_m354_10.mol2 │ ├── ranked_benzaldehydes_m354_11.mol2 │ ├── ranked_benzaldehydes_m354_12.mol2 │ ├── ranked_benzaldehydes_m354_13.mol2 │ ├── ranked_benzaldehydes_m354_14.mol2 │ ├── ranked_benzaldehydes_m354_15.mol2 │ ├── ranked_benzaldehydes_m354_16.mol2 │ ├── ranked_benzaldehydes_m354_17.mol2 │ ├── ranked_benzaldehydes_m354_18.mol2 │ ├── ranked_benzaldehydes_m354_19.mol2 │ ├── ranked_benzaldehydes_m354_2.mol2 │ ├── ranked_benzaldehydes_m354_20.mol2 │ ├── ranked_benzaldehydes_m354_3.mol2 │ ├── ranked_benzaldehydes_m354_4.mol2 │ ├── ranked_benzaldehydes_m354_5.mol2 │ ├── ranked_benzaldehydes_m354_6.mol2 │ ├── ranked_benzaldehydes_m354_7.mol2 │ ├── ranked_benzaldehydes_m354_8.mol2 │ └── ranked_benzaldehydes_m354_9.mol2 ├── benzaldehydes_m365 │ ├── benzaldehydes_m365.rnk │ ├── gold_benzaldehydes_m365.log │ ├── gold_benzaldehydes_m365.mol2 │ ├── gold_soln_benzaldehydes_m365_1.mol2 │ ├── gold_soln_benzaldehydes_m365_10.mol2 │ ├── gold_soln_benzaldehydes_m365_11.mol2 │ ├── gold_soln_benzaldehydes_m365_12.mol2 │ ├── gold_soln_benzaldehydes_m365_13.mol2 │ ├── gold_soln_benzaldehydes_m365_14.mol2 │ ├── gold_soln_benzaldehydes_m365_15.mol2 │ ├── gold_soln_benzaldehydes_m365_16.mol2 │ ├── gold_soln_benzaldehydes_m365_17.mol2 │ ├── gold_soln_benzaldehydes_m365_18.mol2 │ ├── gold_soln_benzaldehydes_m365_19.mol2 │ ├── gold_soln_benzaldehydes_m365_2.mol2 │ ├── gold_soln_benzaldehydes_m365_20.mol2 │ ├── gold_soln_benzaldehydes_m365_3.mol2 │ ├── gold_soln_benzaldehydes_m365_4.mol2 │ ├── gold_soln_benzaldehydes_m365_5.mol2 │ ├── gold_soln_benzaldehydes_m365_6.mol2 │ ├── gold_soln_benzaldehydes_m365_7.mol2 │ ├── gold_soln_benzaldehydes_m365_8.mol2 │ ├── gold_soln_benzaldehydes_m365_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m365_1.mol2 │ ├── ranked_benzaldehydes_m365_10.mol2 │ ├── ranked_benzaldehydes_m365_11.mol2 │ ├── ranked_benzaldehydes_m365_12.mol2 │ ├── ranked_benzaldehydes_m365_13.mol2 │ ├── ranked_benzaldehydes_m365_14.mol2 │ ├── ranked_benzaldehydes_m365_15.mol2 │ ├── ranked_benzaldehydes_m365_16.mol2 │ ├── ranked_benzaldehydes_m365_17.mol2 │ ├── ranked_benzaldehydes_m365_18.mol2 │ ├── ranked_benzaldehydes_m365_19.mol2 │ ├── ranked_benzaldehydes_m365_2.mol2 │ ├── ranked_benzaldehydes_m365_20.mol2 │ ├── ranked_benzaldehydes_m365_3.mol2 │ ├── ranked_benzaldehydes_m365_4.mol2 │ ├── ranked_benzaldehydes_m365_5.mol2 │ ├── ranked_benzaldehydes_m365_6.mol2 │ ├── ranked_benzaldehydes_m365_7.mol2 │ ├── ranked_benzaldehydes_m365_8.mol2 │ └── ranked_benzaldehydes_m365_9.mol2 ├── benzaldehydes_m405 │ ├── benzaldehydes_m405.rnk │ ├── gold_benzaldehydes_m405.log │ ├── gold_benzaldehydes_m405.mol2 │ ├── gold_soln_benzaldehydes_m405_1.mol2 │ ├── gold_soln_benzaldehydes_m405_10.mol2 │ ├── gold_soln_benzaldehydes_m405_11.mol2 │ ├── gold_soln_benzaldehydes_m405_12.mol2 │ ├── gold_soln_benzaldehydes_m405_13.mol2 │ ├── gold_soln_benzaldehydes_m405_14.mol2 │ ├── gold_soln_benzaldehydes_m405_15.mol2 │ ├── gold_soln_benzaldehydes_m405_16.mol2 │ ├── gold_soln_benzaldehydes_m405_17.mol2 │ ├── gold_soln_benzaldehydes_m405_18.mol2 │ ├── gold_soln_benzaldehydes_m405_19.mol2 │ ├── gold_soln_benzaldehydes_m405_2.mol2 │ ├── gold_soln_benzaldehydes_m405_20.mol2 │ ├── gold_soln_benzaldehydes_m405_3.mol2 │ ├── gold_soln_benzaldehydes_m405_4.mol2 │ ├── gold_soln_benzaldehydes_m405_5.mol2 │ ├── gold_soln_benzaldehydes_m405_6.mol2 │ ├── gold_soln_benzaldehydes_m405_7.mol2 │ ├── gold_soln_benzaldehydes_m405_8.mol2 │ ├── gold_soln_benzaldehydes_m405_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m405_1.mol2 │ ├── ranked_benzaldehydes_m405_10.mol2 │ ├── ranked_benzaldehydes_m405_11.mol2 │ ├── ranked_benzaldehydes_m405_12.mol2 │ ├── ranked_benzaldehydes_m405_13.mol2 │ ├── ranked_benzaldehydes_m405_14.mol2 │ ├── ranked_benzaldehydes_m405_15.mol2 │ ├── ranked_benzaldehydes_m405_16.mol2 │ ├── ranked_benzaldehydes_m405_17.mol2 │ ├── ranked_benzaldehydes_m405_18.mol2 │ ├── ranked_benzaldehydes_m405_19.mol2 │ ├── ranked_benzaldehydes_m405_2.mol2 │ ├── ranked_benzaldehydes_m405_20.mol2 │ ├── ranked_benzaldehydes_m405_3.mol2 │ ├── ranked_benzaldehydes_m405_4.mol2 │ ├── ranked_benzaldehydes_m405_5.mol2 │ ├── ranked_benzaldehydes_m405_6.mol2 │ ├── ranked_benzaldehydes_m405_7.mol2 │ ├── ranked_benzaldehydes_m405_8.mol2 │ └── ranked_benzaldehydes_m405_9.mol2 ├── benzaldehydes_m415 │ ├── benzaldehydes_m415.rnk │ ├── gold_benzaldehydes_m415.log │ ├── gold_benzaldehydes_m415.mol2 │ ├── gold_soln_benzaldehydes_m415_1.mol2 │ ├── gold_soln_benzaldehydes_m415_10.mol2 │ ├── gold_soln_benzaldehydes_m415_11.mol2 │ ├── gold_soln_benzaldehydes_m415_12.mol2 │ ├── gold_soln_benzaldehydes_m415_13.mol2 │ ├── gold_soln_benzaldehydes_m415_14.mol2 │ ├── gold_soln_benzaldehydes_m415_15.mol2 │ ├── gold_soln_benzaldehydes_m415_16.mol2 │ ├── gold_soln_benzaldehydes_m415_17.mol2 │ ├── gold_soln_benzaldehydes_m415_18.mol2 │ ├── gold_soln_benzaldehydes_m415_19.mol2 │ ├── gold_soln_benzaldehydes_m415_2.mol2 │ ├── gold_soln_benzaldehydes_m415_20.mol2 │ ├── gold_soln_benzaldehydes_m415_3.mol2 │ ├── gold_soln_benzaldehydes_m415_4.mol2 │ ├── gold_soln_benzaldehydes_m415_5.mol2 │ ├── gold_soln_benzaldehydes_m415_6.mol2 │ ├── gold_soln_benzaldehydes_m415_7.mol2 │ ├── gold_soln_benzaldehydes_m415_8.mol2 │ ├── gold_soln_benzaldehydes_m415_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m415_1.mol2 │ ├── ranked_benzaldehydes_m415_10.mol2 │ ├── ranked_benzaldehydes_m415_11.mol2 │ ├── ranked_benzaldehydes_m415_12.mol2 │ ├── ranked_benzaldehydes_m415_13.mol2 │ ├── ranked_benzaldehydes_m415_14.mol2 │ ├── ranked_benzaldehydes_m415_15.mol2 │ ├── ranked_benzaldehydes_m415_16.mol2 │ ├── ranked_benzaldehydes_m415_17.mol2 │ ├── ranked_benzaldehydes_m415_18.mol2 │ ├── ranked_benzaldehydes_m415_19.mol2 │ ├── ranked_benzaldehydes_m415_2.mol2 │ ├── ranked_benzaldehydes_m415_20.mol2 │ ├── ranked_benzaldehydes_m415_3.mol2 │ ├── ranked_benzaldehydes_m415_4.mol2 │ ├── ranked_benzaldehydes_m415_5.mol2 │ ├── ranked_benzaldehydes_m415_6.mol2 │ ├── ranked_benzaldehydes_m415_7.mol2 │ ├── ranked_benzaldehydes_m415_8.mol2 │ └── ranked_benzaldehydes_m415_9.mol2 ├── benzaldehydes_m464 │ ├── benzaldehydes_m464.rnk │ ├── gold_benzaldehydes_m464.log │ ├── gold_benzaldehydes_m464.mol2 │ ├── gold_soln_benzaldehydes_m464_1.mol2 │ ├── gold_soln_benzaldehydes_m464_10.mol2 │ ├── gold_soln_benzaldehydes_m464_11.mol2 │ ├── gold_soln_benzaldehydes_m464_12.mol2 │ ├── gold_soln_benzaldehydes_m464_13.mol2 │ ├── gold_soln_benzaldehydes_m464_14.mol2 │ ├── gold_soln_benzaldehydes_m464_15.mol2 │ ├── gold_soln_benzaldehydes_m464_16.mol2 │ ├── gold_soln_benzaldehydes_m464_17.mol2 │ ├── gold_soln_benzaldehydes_m464_18.mol2 │ ├── gold_soln_benzaldehydes_m464_19.mol2 │ ├── gold_soln_benzaldehydes_m464_2.mol2 │ ├── gold_soln_benzaldehydes_m464_20.mol2 │ ├── gold_soln_benzaldehydes_m464_3.mol2 │ ├── gold_soln_benzaldehydes_m464_4.mol2 │ ├── gold_soln_benzaldehydes_m464_5.mol2 │ ├── gold_soln_benzaldehydes_m464_6.mol2 │ ├── gold_soln_benzaldehydes_m464_7.mol2 │ ├── gold_soln_benzaldehydes_m464_8.mol2 │ ├── gold_soln_benzaldehydes_m464_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m464_1.mol2 │ ├── ranked_benzaldehydes_m464_10.mol2 │ ├── ranked_benzaldehydes_m464_11.mol2 │ ├── ranked_benzaldehydes_m464_12.mol2 │ ├── ranked_benzaldehydes_m464_13.mol2 │ ├── ranked_benzaldehydes_m464_14.mol2 │ ├── ranked_benzaldehydes_m464_15.mol2 │ ├── ranked_benzaldehydes_m464_16.mol2 │ ├── ranked_benzaldehydes_m464_17.mol2 │ ├── ranked_benzaldehydes_m464_18.mol2 │ ├── ranked_benzaldehydes_m464_19.mol2 │ ├── ranked_benzaldehydes_m464_2.mol2 │ ├── ranked_benzaldehydes_m464_20.mol2 │ ├── ranked_benzaldehydes_m464_3.mol2 │ ├── ranked_benzaldehydes_m464_4.mol2 │ ├── ranked_benzaldehydes_m464_5.mol2 │ ├── ranked_benzaldehydes_m464_6.mol2 │ ├── ranked_benzaldehydes_m464_7.mol2 │ ├── ranked_benzaldehydes_m464_8.mol2 │ └── ranked_benzaldehydes_m464_9.mol2 ├── benzaldehydes_m475 │ ├── benzaldehydes_m475.rnk │ ├── gold_benzaldehydes_m475.log │ ├── gold_benzaldehydes_m475.mol2 │ ├── gold_soln_benzaldehydes_m475_1.mol2 │ ├── gold_soln_benzaldehydes_m475_10.mol2 │ ├── gold_soln_benzaldehydes_m475_11.mol2 │ ├── gold_soln_benzaldehydes_m475_12.mol2 │ ├── gold_soln_benzaldehydes_m475_13.mol2 │ ├── gold_soln_benzaldehydes_m475_14.mol2 │ ├── gold_soln_benzaldehydes_m475_15.mol2 │ ├── gold_soln_benzaldehydes_m475_16.mol2 │ ├── gold_soln_benzaldehydes_m475_17.mol2 │ ├── gold_soln_benzaldehydes_m475_18.mol2 │ ├── gold_soln_benzaldehydes_m475_19.mol2 │ ├── gold_soln_benzaldehydes_m475_2.mol2 │ ├── gold_soln_benzaldehydes_m475_20.mol2 │ ├── gold_soln_benzaldehydes_m475_3.mol2 │ ├── gold_soln_benzaldehydes_m475_4.mol2 │ ├── gold_soln_benzaldehydes_m475_5.mol2 │ ├── gold_soln_benzaldehydes_m475_6.mol2 │ ├── gold_soln_benzaldehydes_m475_7.mol2 │ ├── gold_soln_benzaldehydes_m475_8.mol2 │ ├── gold_soln_benzaldehydes_m475_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m475_1.mol2 │ ├── ranked_benzaldehydes_m475_10.mol2 │ ├── ranked_benzaldehydes_m475_11.mol2 │ ├── ranked_benzaldehydes_m475_12.mol2 │ ├── ranked_benzaldehydes_m475_13.mol2 │ ├── ranked_benzaldehydes_m475_14.mol2 │ ├── ranked_benzaldehydes_m475_15.mol2 │ ├── ranked_benzaldehydes_m475_16.mol2 │ ├── ranked_benzaldehydes_m475_17.mol2 │ ├── ranked_benzaldehydes_m475_18.mol2 │ ├── ranked_benzaldehydes_m475_19.mol2 │ ├── ranked_benzaldehydes_m475_2.mol2 │ ├── ranked_benzaldehydes_m475_20.mol2 │ ├── ranked_benzaldehydes_m475_3.mol2 │ ├── ranked_benzaldehydes_m475_4.mol2 │ ├── ranked_benzaldehydes_m475_5.mol2 │ ├── ranked_benzaldehydes_m475_6.mol2 │ ├── ranked_benzaldehydes_m475_7.mol2 │ ├── ranked_benzaldehydes_m475_8.mol2 │ └── ranked_benzaldehydes_m475_9.mol2 ├── benzaldehydes_m480 │ ├── benzaldehydes_m480.rnk │ ├── gold_benzaldehydes_m480.log │ ├── gold_benzaldehydes_m480.mol2 │ ├── gold_soln_benzaldehydes_m480_1.mol2 │ ├── gold_soln_benzaldehydes_m480_10.mol2 │ ├── gold_soln_benzaldehydes_m480_11.mol2 │ ├── gold_soln_benzaldehydes_m480_12.mol2 │ ├── gold_soln_benzaldehydes_m480_13.mol2 │ ├── gold_soln_benzaldehydes_m480_14.mol2 │ ├── gold_soln_benzaldehydes_m480_15.mol2 │ ├── gold_soln_benzaldehydes_m480_16.mol2 │ ├── gold_soln_benzaldehydes_m480_17.mol2 │ ├── gold_soln_benzaldehydes_m480_18.mol2 │ ├── gold_soln_benzaldehydes_m480_19.mol2 │ ├── gold_soln_benzaldehydes_m480_2.mol2 │ ├── gold_soln_benzaldehydes_m480_20.mol2 │ ├── gold_soln_benzaldehydes_m480_3.mol2 │ ├── gold_soln_benzaldehydes_m480_4.mol2 │ ├── gold_soln_benzaldehydes_m480_5.mol2 │ ├── gold_soln_benzaldehydes_m480_6.mol2 │ ├── gold_soln_benzaldehydes_m480_7.mol2 │ ├── gold_soln_benzaldehydes_m480_8.mol2 │ ├── gold_soln_benzaldehydes_m480_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m480_1.mol2 │ ├── ranked_benzaldehydes_m480_10.mol2 │ ├── ranked_benzaldehydes_m480_11.mol2 │ ├── ranked_benzaldehydes_m480_12.mol2 │ ├── ranked_benzaldehydes_m480_13.mol2 │ ├── ranked_benzaldehydes_m480_14.mol2 │ ├── ranked_benzaldehydes_m480_15.mol2 │ ├── ranked_benzaldehydes_m480_16.mol2 │ ├── ranked_benzaldehydes_m480_17.mol2 │ ├── ranked_benzaldehydes_m480_18.mol2 │ ├── ranked_benzaldehydes_m480_19.mol2 │ ├── ranked_benzaldehydes_m480_2.mol2 │ ├── ranked_benzaldehydes_m480_20.mol2 │ ├── ranked_benzaldehydes_m480_3.mol2 │ ├── ranked_benzaldehydes_m480_4.mol2 │ ├── ranked_benzaldehydes_m480_5.mol2 │ ├── ranked_benzaldehydes_m480_6.mol2 │ ├── ranked_benzaldehydes_m480_7.mol2 │ ├── ranked_benzaldehydes_m480_8.mol2 │ └── ranked_benzaldehydes_m480_9.mol2 ├── benzaldehydes_m513 │ ├── benzaldehydes_m513.rnk │ ├── gold_benzaldehydes_m513.log │ ├── gold_benzaldehydes_m513.mol2 │ ├── gold_soln_benzaldehydes_m513_1.mol2 │ ├── gold_soln_benzaldehydes_m513_10.mol2 │ ├── gold_soln_benzaldehydes_m513_11.mol2 │ ├── gold_soln_benzaldehydes_m513_12.mol2 │ ├── gold_soln_benzaldehydes_m513_13.mol2 │ ├── gold_soln_benzaldehydes_m513_14.mol2 │ ├── gold_soln_benzaldehydes_m513_15.mol2 │ ├── gold_soln_benzaldehydes_m513_16.mol2 │ ├── gold_soln_benzaldehydes_m513_17.mol2 │ ├── gold_soln_benzaldehydes_m513_18.mol2 │ ├── gold_soln_benzaldehydes_m513_19.mol2 │ ├── gold_soln_benzaldehydes_m513_2.mol2 │ ├── gold_soln_benzaldehydes_m513_20.mol2 │ ├── gold_soln_benzaldehydes_m513_3.mol2 │ ├── gold_soln_benzaldehydes_m513_4.mol2 │ ├── gold_soln_benzaldehydes_m513_5.mol2 │ ├── gold_soln_benzaldehydes_m513_6.mol2 │ ├── gold_soln_benzaldehydes_m513_7.mol2 │ ├── gold_soln_benzaldehydes_m513_8.mol2 │ ├── gold_soln_benzaldehydes_m513_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m513_1.mol2 │ ├── ranked_benzaldehydes_m513_10.mol2 │ ├── ranked_benzaldehydes_m513_11.mol2 │ ├── ranked_benzaldehydes_m513_12.mol2 │ ├── ranked_benzaldehydes_m513_13.mol2 │ ├── ranked_benzaldehydes_m513_14.mol2 │ ├── ranked_benzaldehydes_m513_15.mol2 │ ├── ranked_benzaldehydes_m513_16.mol2 │ ├── ranked_benzaldehydes_m513_17.mol2 │ ├── ranked_benzaldehydes_m513_18.mol2 │ ├── ranked_benzaldehydes_m513_19.mol2 │ ├── ranked_benzaldehydes_m513_2.mol2 │ ├── ranked_benzaldehydes_m513_20.mol2 │ ├── ranked_benzaldehydes_m513_3.mol2 │ ├── ranked_benzaldehydes_m513_4.mol2 │ ├── ranked_benzaldehydes_m513_5.mol2 │ ├── ranked_benzaldehydes_m513_6.mol2 │ ├── ranked_benzaldehydes_m513_7.mol2 │ ├── ranked_benzaldehydes_m513_8.mol2 │ └── ranked_benzaldehydes_m513_9.mol2 ├── benzaldehydes_m523 │ ├── benzaldehydes_m523.rnk │ ├── gold_benzaldehydes_m523.log │ ├── gold_benzaldehydes_m523.mol2 │ ├── gold_soln_benzaldehydes_m523_1.mol2 │ ├── gold_soln_benzaldehydes_m523_10.mol2 │ ├── gold_soln_benzaldehydes_m523_11.mol2 │ ├── gold_soln_benzaldehydes_m523_12.mol2 │ ├── gold_soln_benzaldehydes_m523_13.mol2 │ ├── gold_soln_benzaldehydes_m523_14.mol2 │ ├── gold_soln_benzaldehydes_m523_15.mol2 │ ├── gold_soln_benzaldehydes_m523_16.mol2 │ ├── gold_soln_benzaldehydes_m523_17.mol2 │ ├── gold_soln_benzaldehydes_m523_18.mol2 │ ├── gold_soln_benzaldehydes_m523_19.mol2 │ ├── gold_soln_benzaldehydes_m523_2.mol2 │ ├── gold_soln_benzaldehydes_m523_20.mol2 │ ├── gold_soln_benzaldehydes_m523_3.mol2 │ ├── gold_soln_benzaldehydes_m523_4.mol2 │ ├── gold_soln_benzaldehydes_m523_5.mol2 │ ├── gold_soln_benzaldehydes_m523_6.mol2 │ ├── gold_soln_benzaldehydes_m523_7.mol2 │ ├── gold_soln_benzaldehydes_m523_8.mol2 │ ├── gold_soln_benzaldehydes_m523_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m523_1.mol2 │ ├── ranked_benzaldehydes_m523_10.mol2 │ ├── ranked_benzaldehydes_m523_11.mol2 │ ├── ranked_benzaldehydes_m523_12.mol2 │ ├── ranked_benzaldehydes_m523_13.mol2 │ ├── ranked_benzaldehydes_m523_14.mol2 │ ├── ranked_benzaldehydes_m523_15.mol2 │ ├── ranked_benzaldehydes_m523_16.mol2 │ ├── ranked_benzaldehydes_m523_17.mol2 │ ├── ranked_benzaldehydes_m523_18.mol2 │ ├── ranked_benzaldehydes_m523_19.mol2 │ ├── ranked_benzaldehydes_m523_2.mol2 │ ├── ranked_benzaldehydes_m523_20.mol2 │ ├── ranked_benzaldehydes_m523_3.mol2 │ ├── ranked_benzaldehydes_m523_4.mol2 │ ├── ranked_benzaldehydes_m523_5.mol2 │ ├── ranked_benzaldehydes_m523_6.mol2 │ ├── ranked_benzaldehydes_m523_7.mol2 │ ├── ranked_benzaldehydes_m523_8.mol2 │ └── ranked_benzaldehydes_m523_9.mol2 ├── benzaldehydes_m575 │ ├── benzaldehydes_m575.rnk │ ├── gold_benzaldehydes_m575.log │ ├── gold_benzaldehydes_m575.mol2 │ ├── gold_soln_benzaldehydes_m575_1.mol2 │ ├── gold_soln_benzaldehydes_m575_10.mol2 │ ├── gold_soln_benzaldehydes_m575_11.mol2 │ ├── gold_soln_benzaldehydes_m575_12.mol2 │ ├── gold_soln_benzaldehydes_m575_13.mol2 │ ├── gold_soln_benzaldehydes_m575_14.mol2 │ ├── gold_soln_benzaldehydes_m575_15.mol2 │ ├── gold_soln_benzaldehydes_m575_16.mol2 │ ├── gold_soln_benzaldehydes_m575_17.mol2 │ ├── gold_soln_benzaldehydes_m575_18.mol2 │ ├── gold_soln_benzaldehydes_m575_19.mol2 │ ├── gold_soln_benzaldehydes_m575_2.mol2 │ ├── gold_soln_benzaldehydes_m575_20.mol2 │ ├── gold_soln_benzaldehydes_m575_3.mol2 │ ├── gold_soln_benzaldehydes_m575_4.mol2 │ ├── gold_soln_benzaldehydes_m575_5.mol2 │ ├── gold_soln_benzaldehydes_m575_6.mol2 │ ├── gold_soln_benzaldehydes_m575_7.mol2 │ ├── gold_soln_benzaldehydes_m575_8.mol2 │ ├── gold_soln_benzaldehydes_m575_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m575_1.mol2 │ ├── ranked_benzaldehydes_m575_10.mol2 │ ├── ranked_benzaldehydes_m575_11.mol2 │ ├── ranked_benzaldehydes_m575_12.mol2 │ ├── ranked_benzaldehydes_m575_13.mol2 │ ├── ranked_benzaldehydes_m575_14.mol2 │ ├── ranked_benzaldehydes_m575_15.mol2 │ ├── ranked_benzaldehydes_m575_16.mol2 │ ├── ranked_benzaldehydes_m575_17.mol2 │ ├── ranked_benzaldehydes_m575_18.mol2 │ ├── ranked_benzaldehydes_m575_19.mol2 │ ├── ranked_benzaldehydes_m575_2.mol2 │ ├── ranked_benzaldehydes_m575_20.mol2 │ ├── ranked_benzaldehydes_m575_3.mol2 │ ├── ranked_benzaldehydes_m575_4.mol2 │ ├── ranked_benzaldehydes_m575_5.mol2 │ ├── ranked_benzaldehydes_m575_6.mol2 │ ├── ranked_benzaldehydes_m575_7.mol2 │ ├── ranked_benzaldehydes_m575_8.mol2 │ └── ranked_benzaldehydes_m575_9.mol2 ├── benzaldehydes_m585 │ ├── benzaldehydes_m585.rnk │ ├── gold_benzaldehydes_m585.log │ ├── gold_benzaldehydes_m585.mol2 │ ├── gold_soln_benzaldehydes_m585_1.mol2 │ ├── gold_soln_benzaldehydes_m585_10.mol2 │ ├── gold_soln_benzaldehydes_m585_11.mol2 │ ├── gold_soln_benzaldehydes_m585_12.mol2 │ ├── gold_soln_benzaldehydes_m585_13.mol2 │ ├── gold_soln_benzaldehydes_m585_14.mol2 │ ├── gold_soln_benzaldehydes_m585_15.mol2 │ ├── gold_soln_benzaldehydes_m585_16.mol2 │ ├── gold_soln_benzaldehydes_m585_17.mol2 │ ├── gold_soln_benzaldehydes_m585_18.mol2 │ ├── gold_soln_benzaldehydes_m585_19.mol2 │ ├── gold_soln_benzaldehydes_m585_2.mol2 │ ├── gold_soln_benzaldehydes_m585_20.mol2 │ ├── gold_soln_benzaldehydes_m585_3.mol2 │ ├── gold_soln_benzaldehydes_m585_4.mol2 │ ├── gold_soln_benzaldehydes_m585_5.mol2 │ ├── gold_soln_benzaldehydes_m585_6.mol2 │ ├── gold_soln_benzaldehydes_m585_7.mol2 │ ├── gold_soln_benzaldehydes_m585_8.mol2 │ ├── gold_soln_benzaldehydes_m585_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m585_1.mol2 │ ├── ranked_benzaldehydes_m585_10.mol2 │ ├── ranked_benzaldehydes_m585_11.mol2 │ ├── ranked_benzaldehydes_m585_12.mol2 │ ├── ranked_benzaldehydes_m585_13.mol2 │ ├── ranked_benzaldehydes_m585_14.mol2 │ ├── ranked_benzaldehydes_m585_15.mol2 │ ├── ranked_benzaldehydes_m585_16.mol2 │ ├── ranked_benzaldehydes_m585_17.mol2 │ ├── ranked_benzaldehydes_m585_18.mol2 │ ├── ranked_benzaldehydes_m585_19.mol2 │ ├── ranked_benzaldehydes_m585_2.mol2 │ ├── ranked_benzaldehydes_m585_20.mol2 │ ├── ranked_benzaldehydes_m585_3.mol2 │ ├── ranked_benzaldehydes_m585_4.mol2 │ ├── ranked_benzaldehydes_m585_5.mol2 │ ├── ranked_benzaldehydes_m585_6.mol2 │ ├── ranked_benzaldehydes_m585_7.mol2 │ ├── ranked_benzaldehydes_m585_8.mol2 │ └── ranked_benzaldehydes_m585_9.mol2 ├── benzaldehydes_m590 │ ├── benzaldehydes_m590.rnk │ ├── gold_benzaldehydes_m590.log │ ├── gold_benzaldehydes_m590.mol2 │ ├── gold_soln_benzaldehydes_m590_1.mol2 │ ├── gold_soln_benzaldehydes_m590_10.mol2 │ ├── gold_soln_benzaldehydes_m590_11.mol2 │ ├── gold_soln_benzaldehydes_m590_12.mol2 │ ├── gold_soln_benzaldehydes_m590_13.mol2 │ ├── gold_soln_benzaldehydes_m590_14.mol2 │ ├── gold_soln_benzaldehydes_m590_15.mol2 │ ├── gold_soln_benzaldehydes_m590_16.mol2 │ ├── gold_soln_benzaldehydes_m590_17.mol2 │ ├── gold_soln_benzaldehydes_m590_18.mol2 │ ├── gold_soln_benzaldehydes_m590_19.mol2 │ ├── gold_soln_benzaldehydes_m590_2.mol2 │ ├── gold_soln_benzaldehydes_m590_20.mol2 │ ├── gold_soln_benzaldehydes_m590_3.mol2 │ ├── gold_soln_benzaldehydes_m590_4.mol2 │ ├── gold_soln_benzaldehydes_m590_5.mol2 │ ├── gold_soln_benzaldehydes_m590_6.mol2 │ ├── gold_soln_benzaldehydes_m590_7.mol2 │ ├── gold_soln_benzaldehydes_m590_8.mol2 │ ├── gold_soln_benzaldehydes_m590_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m590_1.mol2 │ ├── ranked_benzaldehydes_m590_10.mol2 │ ├── ranked_benzaldehydes_m590_11.mol2 │ ├── ranked_benzaldehydes_m590_12.mol2 │ ├── ranked_benzaldehydes_m590_13.mol2 │ ├── ranked_benzaldehydes_m590_14.mol2 │ ├── ranked_benzaldehydes_m590_15.mol2 │ ├── ranked_benzaldehydes_m590_16.mol2 │ ├── ranked_benzaldehydes_m590_17.mol2 │ ├── ranked_benzaldehydes_m590_18.mol2 │ ├── ranked_benzaldehydes_m590_19.mol2 │ ├── ranked_benzaldehydes_m590_2.mol2 │ ├── ranked_benzaldehydes_m590_20.mol2 │ ├── ranked_benzaldehydes_m590_3.mol2 │ ├── ranked_benzaldehydes_m590_4.mol2 │ ├── ranked_benzaldehydes_m590_5.mol2 │ ├── ranked_benzaldehydes_m590_6.mol2 │ ├── ranked_benzaldehydes_m590_7.mol2 │ ├── ranked_benzaldehydes_m590_8.mol2 │ └── ranked_benzaldehydes_m590_9.mol2 ├── benzaldehydes_m625 │ ├── benzaldehydes_m625.rnk │ ├── gold_benzaldehydes_m625.log │ ├── gold_benzaldehydes_m625.mol2 │ ├── gold_soln_benzaldehydes_m625_1.mol2 │ ├── gold_soln_benzaldehydes_m625_10.mol2 │ ├── gold_soln_benzaldehydes_m625_11.mol2 │ ├── gold_soln_benzaldehydes_m625_12.mol2 │ ├── gold_soln_benzaldehydes_m625_13.mol2 │ ├── gold_soln_benzaldehydes_m625_14.mol2 │ ├── gold_soln_benzaldehydes_m625_15.mol2 │ ├── gold_soln_benzaldehydes_m625_16.mol2 │ ├── gold_soln_benzaldehydes_m625_17.mol2 │ ├── gold_soln_benzaldehydes_m625_18.mol2 │ ├── gold_soln_benzaldehydes_m625_19.mol2 │ ├── gold_soln_benzaldehydes_m625_2.mol2 │ ├── gold_soln_benzaldehydes_m625_20.mol2 │ ├── gold_soln_benzaldehydes_m625_3.mol2 │ ├── gold_soln_benzaldehydes_m625_4.mol2 │ ├── gold_soln_benzaldehydes_m625_5.mol2 │ ├── gold_soln_benzaldehydes_m625_6.mol2 │ ├── gold_soln_benzaldehydes_m625_7.mol2 │ ├── gold_soln_benzaldehydes_m625_8.mol2 │ ├── gold_soln_benzaldehydes_m625_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m625_1.mol2 │ ├── ranked_benzaldehydes_m625_10.mol2 │ ├── ranked_benzaldehydes_m625_11.mol2 │ ├── ranked_benzaldehydes_m625_12.mol2 │ ├── ranked_benzaldehydes_m625_13.mol2 │ ├── ranked_benzaldehydes_m625_14.mol2 │ ├── ranked_benzaldehydes_m625_15.mol2 │ ├── ranked_benzaldehydes_m625_16.mol2 │ ├── ranked_benzaldehydes_m625_17.mol2 │ ├── ranked_benzaldehydes_m625_18.mol2 │ ├── ranked_benzaldehydes_m625_19.mol2 │ ├── ranked_benzaldehydes_m625_2.mol2 │ ├── ranked_benzaldehydes_m625_20.mol2 │ ├── ranked_benzaldehydes_m625_3.mol2 │ ├── ranked_benzaldehydes_m625_4.mol2 │ ├── ranked_benzaldehydes_m625_5.mol2 │ ├── ranked_benzaldehydes_m625_6.mol2 │ ├── ranked_benzaldehydes_m625_7.mol2 │ ├── ranked_benzaldehydes_m625_8.mol2 │ └── ranked_benzaldehydes_m625_9.mol2 ├── benzaldehydes_m632 │ ├── benzaldehydes_m632.rnk │ ├── gold_benzaldehydes_m632.log │ ├── gold_benzaldehydes_m632.mol2 │ ├── gold_soln_benzaldehydes_m632_1.mol2 │ ├── gold_soln_benzaldehydes_m632_10.mol2 │ ├── gold_soln_benzaldehydes_m632_11.mol2 │ ├── gold_soln_benzaldehydes_m632_12.mol2 │ ├── gold_soln_benzaldehydes_m632_13.mol2 │ ├── gold_soln_benzaldehydes_m632_14.mol2 │ ├── gold_soln_benzaldehydes_m632_15.mol2 │ ├── gold_soln_benzaldehydes_m632_16.mol2 │ ├── gold_soln_benzaldehydes_m632_17.mol2 │ ├── gold_soln_benzaldehydes_m632_18.mol2 │ ├── gold_soln_benzaldehydes_m632_19.mol2 │ ├── gold_soln_benzaldehydes_m632_2.mol2 │ ├── gold_soln_benzaldehydes_m632_20.mol2 │ ├── gold_soln_benzaldehydes_m632_3.mol2 │ ├── gold_soln_benzaldehydes_m632_4.mol2 │ ├── gold_soln_benzaldehydes_m632_5.mol2 │ ├── gold_soln_benzaldehydes_m632_6.mol2 │ ├── gold_soln_benzaldehydes_m632_7.mol2 │ ├── gold_soln_benzaldehydes_m632_8.mol2 │ ├── gold_soln_benzaldehydes_m632_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m632_1.mol2 │ ├── ranked_benzaldehydes_m632_10.mol2 │ ├── ranked_benzaldehydes_m632_11.mol2 │ ├── ranked_benzaldehydes_m632_12.mol2 │ ├── ranked_benzaldehydes_m632_13.mol2 │ ├── ranked_benzaldehydes_m632_14.mol2 │ ├── ranked_benzaldehydes_m632_15.mol2 │ ├── ranked_benzaldehydes_m632_16.mol2 │ ├── ranked_benzaldehydes_m632_17.mol2 │ ├── ranked_benzaldehydes_m632_18.mol2 │ ├── ranked_benzaldehydes_m632_19.mol2 │ ├── ranked_benzaldehydes_m632_2.mol2 │ ├── ranked_benzaldehydes_m632_20.mol2 │ ├── ranked_benzaldehydes_m632_3.mol2 │ ├── ranked_benzaldehydes_m632_4.mol2 │ ├── ranked_benzaldehydes_m632_5.mol2 │ ├── ranked_benzaldehydes_m632_6.mol2 │ ├── ranked_benzaldehydes_m632_7.mol2 │ ├── ranked_benzaldehydes_m632_8.mol2 │ └── ranked_benzaldehydes_m632_9.mol2 ├── benzaldehydes_m638 │ ├── benzaldehydes_m638.rnk │ ├── gold_benzaldehydes_m638.log │ ├── gold_benzaldehydes_m638.mol2 │ ├── gold_soln_benzaldehydes_m638_1.mol2 │ ├── gold_soln_benzaldehydes_m638_10.mol2 │ ├── gold_soln_benzaldehydes_m638_11.mol2 │ ├── gold_soln_benzaldehydes_m638_12.mol2 │ ├── gold_soln_benzaldehydes_m638_13.mol2 │ ├── gold_soln_benzaldehydes_m638_14.mol2 │ ├── gold_soln_benzaldehydes_m638_15.mol2 │ ├── gold_soln_benzaldehydes_m638_16.mol2 │ ├── gold_soln_benzaldehydes_m638_17.mol2 │ ├── gold_soln_benzaldehydes_m638_18.mol2 │ ├── gold_soln_benzaldehydes_m638_19.mol2 │ ├── gold_soln_benzaldehydes_m638_2.mol2 │ ├── gold_soln_benzaldehydes_m638_20.mol2 │ ├── gold_soln_benzaldehydes_m638_3.mol2 │ ├── gold_soln_benzaldehydes_m638_4.mol2 │ ├── gold_soln_benzaldehydes_m638_5.mol2 │ ├── gold_soln_benzaldehydes_m638_6.mol2 │ ├── gold_soln_benzaldehydes_m638_7.mol2 │ ├── gold_soln_benzaldehydes_m638_8.mol2 │ ├── gold_soln_benzaldehydes_m638_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m638_1.mol2 │ ├── ranked_benzaldehydes_m638_10.mol2 │ ├── ranked_benzaldehydes_m638_11.mol2 │ ├── ranked_benzaldehydes_m638_12.mol2 │ ├── ranked_benzaldehydes_m638_13.mol2 │ ├── ranked_benzaldehydes_m638_14.mol2 │ ├── ranked_benzaldehydes_m638_15.mol2 │ ├── ranked_benzaldehydes_m638_16.mol2 │ ├── ranked_benzaldehydes_m638_17.mol2 │ ├── ranked_benzaldehydes_m638_18.mol2 │ ├── ranked_benzaldehydes_m638_19.mol2 │ ├── ranked_benzaldehydes_m638_2.mol2 │ ├── ranked_benzaldehydes_m638_20.mol2 │ ├── ranked_benzaldehydes_m638_3.mol2 │ ├── ranked_benzaldehydes_m638_4.mol2 │ ├── ranked_benzaldehydes_m638_5.mol2 │ ├── ranked_benzaldehydes_m638_6.mol2 │ ├── ranked_benzaldehydes_m638_7.mol2 │ ├── ranked_benzaldehydes_m638_8.mol2 │ └── ranked_benzaldehydes_m638_9.mol2 ├── benzaldehydes_m640 │ ├── benzaldehydes_m640.rnk │ ├── gold_benzaldehydes_m640.log │ ├── gold_benzaldehydes_m640.mol2 │ ├── gold_soln_benzaldehydes_m640_1.mol2 │ ├── gold_soln_benzaldehydes_m640_10.mol2 │ ├── gold_soln_benzaldehydes_m640_11.mol2 │ ├── gold_soln_benzaldehydes_m640_12.mol2 │ ├── gold_soln_benzaldehydes_m640_13.mol2 │ ├── gold_soln_benzaldehydes_m640_14.mol2 │ ├── gold_soln_benzaldehydes_m640_15.mol2 │ ├── gold_soln_benzaldehydes_m640_16.mol2 │ ├── gold_soln_benzaldehydes_m640_17.mol2 │ ├── gold_soln_benzaldehydes_m640_18.mol2 │ ├── gold_soln_benzaldehydes_m640_19.mol2 │ ├── gold_soln_benzaldehydes_m640_2.mol2 │ ├── gold_soln_benzaldehydes_m640_20.mol2 │ ├── gold_soln_benzaldehydes_m640_3.mol2 │ ├── gold_soln_benzaldehydes_m640_4.mol2 │ ├── gold_soln_benzaldehydes_m640_5.mol2 │ ├── gold_soln_benzaldehydes_m640_6.mol2 │ ├── gold_soln_benzaldehydes_m640_7.mol2 │ ├── gold_soln_benzaldehydes_m640_8.mol2 │ ├── gold_soln_benzaldehydes_m640_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m640_1.mol2 │ ├── ranked_benzaldehydes_m640_10.mol2 │ ├── ranked_benzaldehydes_m640_11.mol2 │ ├── ranked_benzaldehydes_m640_12.mol2 │ ├── ranked_benzaldehydes_m640_13.mol2 │ ├── ranked_benzaldehydes_m640_14.mol2 │ ├── ranked_benzaldehydes_m640_15.mol2 │ ├── ranked_benzaldehydes_m640_16.mol2 │ ├── ranked_benzaldehydes_m640_17.mol2 │ ├── ranked_benzaldehydes_m640_18.mol2 │ ├── ranked_benzaldehydes_m640_19.mol2 │ ├── ranked_benzaldehydes_m640_2.mol2 │ ├── ranked_benzaldehydes_m640_20.mol2 │ ├── ranked_benzaldehydes_m640_3.mol2 │ ├── ranked_benzaldehydes_m640_4.mol2 │ ├── ranked_benzaldehydes_m640_5.mol2 │ ├── ranked_benzaldehydes_m640_6.mol2 │ ├── ranked_benzaldehydes_m640_7.mol2 │ ├── ranked_benzaldehydes_m640_8.mol2 │ └── ranked_benzaldehydes_m640_9.mol2 ├── benzaldehydes_m65 │ ├── benzaldehydes_m65.rnk │ ├── gold_benzaldehydes_m65.log │ ├── gold_benzaldehydes_m65.mol2 │ ├── gold_soln_benzaldehydes_m65_1.mol2 │ ├── gold_soln_benzaldehydes_m65_10.mol2 │ ├── gold_soln_benzaldehydes_m65_11.mol2 │ ├── gold_soln_benzaldehydes_m65_12.mol2 │ ├── gold_soln_benzaldehydes_m65_13.mol2 │ ├── gold_soln_benzaldehydes_m65_14.mol2 │ ├── gold_soln_benzaldehydes_m65_15.mol2 │ ├── gold_soln_benzaldehydes_m65_16.mol2 │ ├── gold_soln_benzaldehydes_m65_17.mol2 │ ├── gold_soln_benzaldehydes_m65_18.mol2 │ ├── gold_soln_benzaldehydes_m65_19.mol2 │ ├── gold_soln_benzaldehydes_m65_2.mol2 │ ├── gold_soln_benzaldehydes_m65_20.mol2 │ ├── gold_soln_benzaldehydes_m65_3.mol2 │ ├── gold_soln_benzaldehydes_m65_4.mol2 │ ├── gold_soln_benzaldehydes_m65_5.mol2 │ ├── gold_soln_benzaldehydes_m65_6.mol2 │ ├── gold_soln_benzaldehydes_m65_7.mol2 │ ├── gold_soln_benzaldehydes_m65_8.mol2 │ ├── gold_soln_benzaldehydes_m65_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m65_1.mol2 │ ├── ranked_benzaldehydes_m65_10.mol2 │ ├── ranked_benzaldehydes_m65_11.mol2 │ ├── ranked_benzaldehydes_m65_12.mol2 │ ├── ranked_benzaldehydes_m65_13.mol2 │ ├── ranked_benzaldehydes_m65_14.mol2 │ ├── ranked_benzaldehydes_m65_15.mol2 │ ├── ranked_benzaldehydes_m65_16.mol2 │ ├── ranked_benzaldehydes_m65_17.mol2 │ ├── ranked_benzaldehydes_m65_18.mol2 │ ├── ranked_benzaldehydes_m65_19.mol2 │ ├── ranked_benzaldehydes_m65_2.mol2 │ ├── ranked_benzaldehydes_m65_20.mol2 │ ├── ranked_benzaldehydes_m65_3.mol2 │ ├── ranked_benzaldehydes_m65_4.mol2 │ ├── ranked_benzaldehydes_m65_5.mol2 │ ├── ranked_benzaldehydes_m65_6.mol2 │ ├── ranked_benzaldehydes_m65_7.mol2 │ ├── ranked_benzaldehydes_m65_8.mol2 │ └── ranked_benzaldehydes_m65_9.mol2 ├── benzaldehydes_m665 │ ├── benzaldehydes_m665.rnk │ ├── gold_benzaldehydes_m665.log │ ├── gold_benzaldehydes_m665.mol2 │ ├── gold_soln_benzaldehydes_m665_1.mol2 │ ├── gold_soln_benzaldehydes_m665_10.mol2 │ ├── gold_soln_benzaldehydes_m665_11.mol2 │ ├── gold_soln_benzaldehydes_m665_12.mol2 │ ├── gold_soln_benzaldehydes_m665_13.mol2 │ ├── gold_soln_benzaldehydes_m665_14.mol2 │ ├── gold_soln_benzaldehydes_m665_15.mol2 │ ├── gold_soln_benzaldehydes_m665_16.mol2 │ ├── gold_soln_benzaldehydes_m665_17.mol2 │ ├── gold_soln_benzaldehydes_m665_18.mol2 │ ├── gold_soln_benzaldehydes_m665_19.mol2 │ ├── gold_soln_benzaldehydes_m665_2.mol2 │ ├── gold_soln_benzaldehydes_m665_20.mol2 │ ├── gold_soln_benzaldehydes_m665_3.mol2 │ ├── gold_soln_benzaldehydes_m665_4.mol2 │ ├── gold_soln_benzaldehydes_m665_5.mol2 │ ├── gold_soln_benzaldehydes_m665_6.mol2 │ ├── gold_soln_benzaldehydes_m665_7.mol2 │ ├── gold_soln_benzaldehydes_m665_8.mol2 │ ├── gold_soln_benzaldehydes_m665_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m665_1.mol2 │ ├── ranked_benzaldehydes_m665_10.mol2 │ ├── ranked_benzaldehydes_m665_11.mol2 │ ├── ranked_benzaldehydes_m665_12.mol2 │ ├── ranked_benzaldehydes_m665_13.mol2 │ ├── ranked_benzaldehydes_m665_14.mol2 │ ├── ranked_benzaldehydes_m665_15.mol2 │ ├── ranked_benzaldehydes_m665_16.mol2 │ ├── ranked_benzaldehydes_m665_17.mol2 │ ├── ranked_benzaldehydes_m665_18.mol2 │ ├── ranked_benzaldehydes_m665_19.mol2 │ ├── ranked_benzaldehydes_m665_2.mol2 │ ├── ranked_benzaldehydes_m665_20.mol2 │ ├── ranked_benzaldehydes_m665_3.mol2 │ ├── ranked_benzaldehydes_m665_4.mol2 │ ├── ranked_benzaldehydes_m665_5.mol2 │ ├── ranked_benzaldehydes_m665_6.mol2 │ ├── ranked_benzaldehydes_m665_7.mol2 │ ├── ranked_benzaldehydes_m665_8.mol2 │ └── ranked_benzaldehydes_m665_9.mol2 ├── benzaldehydes_m673 │ ├── benzaldehydes_m673.rnk │ ├── gold_benzaldehydes_m673.log │ ├── gold_benzaldehydes_m673.mol2 │ ├── gold_soln_benzaldehydes_m673_1.mol2 │ ├── gold_soln_benzaldehydes_m673_10.mol2 │ ├── gold_soln_benzaldehydes_m673_11.mol2 │ ├── gold_soln_benzaldehydes_m673_12.mol2 │ ├── gold_soln_benzaldehydes_m673_13.mol2 │ ├── gold_soln_benzaldehydes_m673_14.mol2 │ ├── gold_soln_benzaldehydes_m673_15.mol2 │ ├── gold_soln_benzaldehydes_m673_16.mol2 │ ├── gold_soln_benzaldehydes_m673_17.mol2 │ ├── gold_soln_benzaldehydes_m673_18.mol2 │ ├── gold_soln_benzaldehydes_m673_19.mol2 │ ├── gold_soln_benzaldehydes_m673_2.mol2 │ ├── gold_soln_benzaldehydes_m673_20.mol2 │ ├── gold_soln_benzaldehydes_m673_3.mol2 │ ├── gold_soln_benzaldehydes_m673_4.mol2 │ ├── gold_soln_benzaldehydes_m673_5.mol2 │ ├── gold_soln_benzaldehydes_m673_6.mol2 │ ├── gold_soln_benzaldehydes_m673_7.mol2 │ ├── gold_soln_benzaldehydes_m673_8.mol2 │ ├── gold_soln_benzaldehydes_m673_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m673_1.mol2 │ ├── ranked_benzaldehydes_m673_10.mol2 │ ├── ranked_benzaldehydes_m673_11.mol2 │ ├── ranked_benzaldehydes_m673_12.mol2 │ ├── ranked_benzaldehydes_m673_13.mol2 │ ├── ranked_benzaldehydes_m673_14.mol2 │ ├── ranked_benzaldehydes_m673_15.mol2 │ ├── ranked_benzaldehydes_m673_16.mol2 │ ├── ranked_benzaldehydes_m673_17.mol2 │ ├── ranked_benzaldehydes_m673_18.mol2 │ ├── ranked_benzaldehydes_m673_19.mol2 │ ├── ranked_benzaldehydes_m673_2.mol2 │ ├── ranked_benzaldehydes_m673_20.mol2 │ ├── ranked_benzaldehydes_m673_3.mol2 │ ├── ranked_benzaldehydes_m673_4.mol2 │ ├── ranked_benzaldehydes_m673_5.mol2 │ ├── ranked_benzaldehydes_m673_6.mol2 │ ├── ranked_benzaldehydes_m673_7.mol2 │ ├── ranked_benzaldehydes_m673_8.mol2 │ └── ranked_benzaldehydes_m673_9.mol2 ├── benzaldehydes_m677 │ ├── benzaldehydes_m677.rnk │ ├── gold_benzaldehydes_m677.log │ ├── gold_benzaldehydes_m677.mol2 │ ├── gold_soln_benzaldehydes_m677_1.mol2 │ ├── gold_soln_benzaldehydes_m677_10.mol2 │ ├── gold_soln_benzaldehydes_m677_11.mol2 │ ├── gold_soln_benzaldehydes_m677_12.mol2 │ ├── gold_soln_benzaldehydes_m677_13.mol2 │ ├── gold_soln_benzaldehydes_m677_14.mol2 │ ├── gold_soln_benzaldehydes_m677_15.mol2 │ ├── gold_soln_benzaldehydes_m677_16.mol2 │ ├── gold_soln_benzaldehydes_m677_17.mol2 │ ├── gold_soln_benzaldehydes_m677_18.mol2 │ ├── gold_soln_benzaldehydes_m677_19.mol2 │ ├── gold_soln_benzaldehydes_m677_2.mol2 │ ├── gold_soln_benzaldehydes_m677_20.mol2 │ ├── gold_soln_benzaldehydes_m677_3.mol2 │ ├── gold_soln_benzaldehydes_m677_4.mol2 │ ├── gold_soln_benzaldehydes_m677_5.mol2 │ ├── gold_soln_benzaldehydes_m677_6.mol2 │ ├── gold_soln_benzaldehydes_m677_7.mol2 │ ├── gold_soln_benzaldehydes_m677_8.mol2 │ ├── gold_soln_benzaldehydes_m677_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m677_1.mol2 │ ├── ranked_benzaldehydes_m677_10.mol2 │ ├── ranked_benzaldehydes_m677_11.mol2 │ ├── ranked_benzaldehydes_m677_12.mol2 │ ├── ranked_benzaldehydes_m677_13.mol2 │ ├── ranked_benzaldehydes_m677_14.mol2 │ ├── ranked_benzaldehydes_m677_15.mol2 │ ├── ranked_benzaldehydes_m677_16.mol2 │ ├── ranked_benzaldehydes_m677_17.mol2 │ ├── ranked_benzaldehydes_m677_18.mol2 │ ├── ranked_benzaldehydes_m677_19.mol2 │ ├── ranked_benzaldehydes_m677_2.mol2 │ ├── ranked_benzaldehydes_m677_20.mol2 │ ├── ranked_benzaldehydes_m677_3.mol2 │ ├── ranked_benzaldehydes_m677_4.mol2 │ ├── ranked_benzaldehydes_m677_5.mol2 │ ├── ranked_benzaldehydes_m677_6.mol2 │ ├── ranked_benzaldehydes_m677_7.mol2 │ ├── ranked_benzaldehydes_m677_8.mol2 │ └── ranked_benzaldehydes_m677_9.mol2 ├── benzaldehydes_m695 │ ├── benzaldehydes_m695.rnk │ ├── gold_benzaldehydes_m695.log │ ├── gold_benzaldehydes_m695.mol2 │ ├── gold_soln_benzaldehydes_m695_1.mol2 │ ├── gold_soln_benzaldehydes_m695_10.mol2 │ ├── gold_soln_benzaldehydes_m695_11.mol2 │ ├── gold_soln_benzaldehydes_m695_12.mol2 │ ├── gold_soln_benzaldehydes_m695_13.mol2 │ ├── gold_soln_benzaldehydes_m695_14.mol2 │ ├── gold_soln_benzaldehydes_m695_15.mol2 │ ├── gold_soln_benzaldehydes_m695_16.mol2 │ ├── gold_soln_benzaldehydes_m695_17.mol2 │ ├── gold_soln_benzaldehydes_m695_18.mol2 │ ├── gold_soln_benzaldehydes_m695_19.mol2 │ ├── gold_soln_benzaldehydes_m695_2.mol2 │ ├── gold_soln_benzaldehydes_m695_20.mol2 │ ├── gold_soln_benzaldehydes_m695_3.mol2 │ ├── gold_soln_benzaldehydes_m695_4.mol2 │ ├── gold_soln_benzaldehydes_m695_5.mol2 │ ├── gold_soln_benzaldehydes_m695_6.mol2 │ ├── gold_soln_benzaldehydes_m695_7.mol2 │ ├── gold_soln_benzaldehydes_m695_8.mol2 │ ├── gold_soln_benzaldehydes_m695_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m695_1.mol2 │ ├── ranked_benzaldehydes_m695_10.mol2 │ ├── ranked_benzaldehydes_m695_11.mol2 │ ├── ranked_benzaldehydes_m695_12.mol2 │ ├── ranked_benzaldehydes_m695_13.mol2 │ ├── ranked_benzaldehydes_m695_14.mol2 │ ├── ranked_benzaldehydes_m695_15.mol2 │ ├── ranked_benzaldehydes_m695_16.mol2 │ ├── ranked_benzaldehydes_m695_17.mol2 │ ├── ranked_benzaldehydes_m695_18.mol2 │ ├── ranked_benzaldehydes_m695_19.mol2 │ ├── ranked_benzaldehydes_m695_2.mol2 │ ├── ranked_benzaldehydes_m695_20.mol2 │ ├── ranked_benzaldehydes_m695_3.mol2 │ ├── ranked_benzaldehydes_m695_4.mol2 │ ├── ranked_benzaldehydes_m695_5.mol2 │ ├── ranked_benzaldehydes_m695_6.mol2 │ ├── ranked_benzaldehydes_m695_7.mol2 │ ├── ranked_benzaldehydes_m695_8.mol2 │ └── ranked_benzaldehydes_m695_9.mol2 ├── benzaldehydes_m705 │ ├── benzaldehydes_m705.rnk │ ├── gold_benzaldehydes_m705.log │ ├── gold_benzaldehydes_m705.mol2 │ ├── gold_soln_benzaldehydes_m705_1.mol2 │ ├── gold_soln_benzaldehydes_m705_10.mol2 │ ├── gold_soln_benzaldehydes_m705_11.mol2 │ ├── gold_soln_benzaldehydes_m705_12.mol2 │ ├── gold_soln_benzaldehydes_m705_13.mol2 │ ├── gold_soln_benzaldehydes_m705_14.mol2 │ ├── gold_soln_benzaldehydes_m705_15.mol2 │ ├── gold_soln_benzaldehydes_m705_16.mol2 │ ├── gold_soln_benzaldehydes_m705_17.mol2 │ ├── gold_soln_benzaldehydes_m705_18.mol2 │ ├── gold_soln_benzaldehydes_m705_19.mol2 │ ├── gold_soln_benzaldehydes_m705_2.mol2 │ ├── gold_soln_benzaldehydes_m705_20.mol2 │ ├── gold_soln_benzaldehydes_m705_3.mol2 │ ├── gold_soln_benzaldehydes_m705_4.mol2 │ ├── gold_soln_benzaldehydes_m705_5.mol2 │ ├── gold_soln_benzaldehydes_m705_6.mol2 │ ├── gold_soln_benzaldehydes_m705_7.mol2 │ ├── gold_soln_benzaldehydes_m705_8.mol2 │ ├── gold_soln_benzaldehydes_m705_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m705_1.mol2 │ ├── ranked_benzaldehydes_m705_10.mol2 │ ├── ranked_benzaldehydes_m705_11.mol2 │ ├── ranked_benzaldehydes_m705_12.mol2 │ ├── ranked_benzaldehydes_m705_13.mol2 │ ├── ranked_benzaldehydes_m705_14.mol2 │ ├── ranked_benzaldehydes_m705_15.mol2 │ ├── ranked_benzaldehydes_m705_16.mol2 │ ├── ranked_benzaldehydes_m705_17.mol2 │ ├── ranked_benzaldehydes_m705_18.mol2 │ ├── ranked_benzaldehydes_m705_19.mol2 │ ├── ranked_benzaldehydes_m705_2.mol2 │ ├── ranked_benzaldehydes_m705_20.mol2 │ ├── ranked_benzaldehydes_m705_3.mol2 │ ├── ranked_benzaldehydes_m705_4.mol2 │ ├── ranked_benzaldehydes_m705_5.mol2 │ ├── ranked_benzaldehydes_m705_6.mol2 │ ├── ranked_benzaldehydes_m705_7.mol2 │ ├── ranked_benzaldehydes_m705_8.mol2 │ └── ranked_benzaldehydes_m705_9.mol2 ├── benzaldehydes_m73 │ ├── benzaldehydes_m73.rnk │ ├── gold_benzaldehydes_m73.log │ ├── gold_benzaldehydes_m73.mol2 │ ├── gold_soln_benzaldehydes_m73_1.mol2 │ ├── gold_soln_benzaldehydes_m73_10.mol2 │ ├── gold_soln_benzaldehydes_m73_11.mol2 │ ├── gold_soln_benzaldehydes_m73_12.mol2 │ ├── gold_soln_benzaldehydes_m73_13.mol2 │ ├── gold_soln_benzaldehydes_m73_14.mol2 │ ├── gold_soln_benzaldehydes_m73_15.mol2 │ ├── gold_soln_benzaldehydes_m73_16.mol2 │ ├── gold_soln_benzaldehydes_m73_17.mol2 │ ├── gold_soln_benzaldehydes_m73_18.mol2 │ ├── gold_soln_benzaldehydes_m73_19.mol2 │ ├── gold_soln_benzaldehydes_m73_2.mol2 │ ├── gold_soln_benzaldehydes_m73_20.mol2 │ ├── gold_soln_benzaldehydes_m73_3.mol2 │ ├── gold_soln_benzaldehydes_m73_4.mol2 │ ├── gold_soln_benzaldehydes_m73_5.mol2 │ ├── gold_soln_benzaldehydes_m73_6.mol2 │ ├── gold_soln_benzaldehydes_m73_7.mol2 │ ├── gold_soln_benzaldehydes_m73_8.mol2 │ ├── gold_soln_benzaldehydes_m73_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m73_1.mol2 │ ├── ranked_benzaldehydes_m73_10.mol2 │ ├── ranked_benzaldehydes_m73_11.mol2 │ ├── ranked_benzaldehydes_m73_12.mol2 │ ├── ranked_benzaldehydes_m73_13.mol2 │ ├── ranked_benzaldehydes_m73_14.mol2 │ ├── ranked_benzaldehydes_m73_15.mol2 │ ├── ranked_benzaldehydes_m73_16.mol2 │ ├── ranked_benzaldehydes_m73_17.mol2 │ ├── ranked_benzaldehydes_m73_18.mol2 │ ├── ranked_benzaldehydes_m73_19.mol2 │ ├── ranked_benzaldehydes_m73_2.mol2 │ ├── ranked_benzaldehydes_m73_20.mol2 │ ├── ranked_benzaldehydes_m73_3.mol2 │ ├── ranked_benzaldehydes_m73_4.mol2 │ ├── ranked_benzaldehydes_m73_5.mol2 │ ├── ranked_benzaldehydes_m73_6.mol2 │ ├── ranked_benzaldehydes_m73_7.mol2 │ ├── ranked_benzaldehydes_m73_8.mol2 │ └── ranked_benzaldehydes_m73_9.mol2 ├── benzaldehydes_m755 │ ├── benzaldehydes_m755.rnk │ ├── gold_benzaldehydes_m755.log │ ├── gold_benzaldehydes_m755.mol2 │ ├── gold_soln_benzaldehydes_m755_1.mol2 │ ├── gold_soln_benzaldehydes_m755_10.mol2 │ ├── gold_soln_benzaldehydes_m755_11.mol2 │ ├── gold_soln_benzaldehydes_m755_12.mol2 │ ├── gold_soln_benzaldehydes_m755_13.mol2 │ ├── gold_soln_benzaldehydes_m755_14.mol2 │ ├── gold_soln_benzaldehydes_m755_15.mol2 │ ├── gold_soln_benzaldehydes_m755_16.mol2 │ ├── gold_soln_benzaldehydes_m755_17.mol2 │ ├── gold_soln_benzaldehydes_m755_18.mol2 │ ├── gold_soln_benzaldehydes_m755_19.mol2 │ ├── gold_soln_benzaldehydes_m755_2.mol2 │ ├── gold_soln_benzaldehydes_m755_20.mol2 │ ├── gold_soln_benzaldehydes_m755_3.mol2 │ ├── gold_soln_benzaldehydes_m755_4.mol2 │ ├── gold_soln_benzaldehydes_m755_5.mol2 │ ├── gold_soln_benzaldehydes_m755_6.mol2 │ ├── gold_soln_benzaldehydes_m755_7.mol2 │ ├── gold_soln_benzaldehydes_m755_8.mol2 │ ├── gold_soln_benzaldehydes_m755_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m755_1.mol2 │ ├── ranked_benzaldehydes_m755_10.mol2 │ ├── ranked_benzaldehydes_m755_11.mol2 │ ├── ranked_benzaldehydes_m755_12.mol2 │ ├── ranked_benzaldehydes_m755_13.mol2 │ ├── ranked_benzaldehydes_m755_14.mol2 │ ├── ranked_benzaldehydes_m755_15.mol2 │ ├── ranked_benzaldehydes_m755_16.mol2 │ ├── ranked_benzaldehydes_m755_17.mol2 │ ├── ranked_benzaldehydes_m755_18.mol2 │ ├── ranked_benzaldehydes_m755_19.mol2 │ ├── ranked_benzaldehydes_m755_2.mol2 │ ├── ranked_benzaldehydes_m755_20.mol2 │ ├── ranked_benzaldehydes_m755_3.mol2 │ ├── ranked_benzaldehydes_m755_4.mol2 │ ├── ranked_benzaldehydes_m755_5.mol2 │ ├── ranked_benzaldehydes_m755_6.mol2 │ ├── ranked_benzaldehydes_m755_7.mol2 │ ├── ranked_benzaldehydes_m755_8.mol2 │ └── ranked_benzaldehydes_m755_9.mol2 ├── benzaldehydes_m763 │ ├── benzaldehydes_m763.rnk │ ├── gold_benzaldehydes_m763.log │ ├── gold_benzaldehydes_m763.mol2 │ ├── gold_soln_benzaldehydes_m763_1.mol2 │ ├── gold_soln_benzaldehydes_m763_10.mol2 │ ├── gold_soln_benzaldehydes_m763_11.mol2 │ ├── gold_soln_benzaldehydes_m763_12.mol2 │ ├── gold_soln_benzaldehydes_m763_13.mol2 │ ├── gold_soln_benzaldehydes_m763_14.mol2 │ ├── gold_soln_benzaldehydes_m763_15.mol2 │ ├── gold_soln_benzaldehydes_m763_16.mol2 │ ├── gold_soln_benzaldehydes_m763_17.mol2 │ ├── gold_soln_benzaldehydes_m763_18.mol2 │ ├── gold_soln_benzaldehydes_m763_19.mol2 │ ├── gold_soln_benzaldehydes_m763_2.mol2 │ ├── gold_soln_benzaldehydes_m763_20.mol2 │ ├── gold_soln_benzaldehydes_m763_3.mol2 │ ├── gold_soln_benzaldehydes_m763_4.mol2 │ ├── gold_soln_benzaldehydes_m763_5.mol2 │ ├── gold_soln_benzaldehydes_m763_6.mol2 │ ├── gold_soln_benzaldehydes_m763_7.mol2 │ ├── gold_soln_benzaldehydes_m763_8.mol2 │ ├── gold_soln_benzaldehydes_m763_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m763_1.mol2 │ ├── ranked_benzaldehydes_m763_10.mol2 │ ├── ranked_benzaldehydes_m763_11.mol2 │ ├── ranked_benzaldehydes_m763_12.mol2 │ ├── ranked_benzaldehydes_m763_13.mol2 │ ├── ranked_benzaldehydes_m763_14.mol2 │ ├── ranked_benzaldehydes_m763_15.mol2 │ ├── ranked_benzaldehydes_m763_16.mol2 │ ├── ranked_benzaldehydes_m763_17.mol2 │ ├── ranked_benzaldehydes_m763_18.mol2 │ ├── ranked_benzaldehydes_m763_19.mol2 │ ├── ranked_benzaldehydes_m763_2.mol2 │ ├── ranked_benzaldehydes_m763_20.mol2 │ ├── ranked_benzaldehydes_m763_3.mol2 │ ├── ranked_benzaldehydes_m763_4.mol2 │ ├── ranked_benzaldehydes_m763_5.mol2 │ ├── ranked_benzaldehydes_m763_6.mol2 │ ├── ranked_benzaldehydes_m763_7.mol2 │ ├── ranked_benzaldehydes_m763_8.mol2 │ └── ranked_benzaldehydes_m763_9.mol2 ├── benzaldehydes_m796 │ ├── benzaldehydes_m796.rnk │ ├── gold_benzaldehydes_m796.log │ ├── gold_benzaldehydes_m796.mol2 │ ├── gold_soln_benzaldehydes_m796_1.mol2 │ ├── gold_soln_benzaldehydes_m796_10.mol2 │ ├── gold_soln_benzaldehydes_m796_11.mol2 │ ├── gold_soln_benzaldehydes_m796_12.mol2 │ ├── gold_soln_benzaldehydes_m796_13.mol2 │ ├── gold_soln_benzaldehydes_m796_14.mol2 │ ├── gold_soln_benzaldehydes_m796_15.mol2 │ ├── gold_soln_benzaldehydes_m796_16.mol2 │ ├── gold_soln_benzaldehydes_m796_17.mol2 │ ├── gold_soln_benzaldehydes_m796_18.mol2 │ ├── gold_soln_benzaldehydes_m796_19.mol2 │ ├── gold_soln_benzaldehydes_m796_2.mol2 │ ├── gold_soln_benzaldehydes_m796_20.mol2 │ ├── gold_soln_benzaldehydes_m796_3.mol2 │ ├── gold_soln_benzaldehydes_m796_4.mol2 │ ├── gold_soln_benzaldehydes_m796_5.mol2 │ ├── gold_soln_benzaldehydes_m796_6.mol2 │ ├── gold_soln_benzaldehydes_m796_7.mol2 │ ├── gold_soln_benzaldehydes_m796_8.mol2 │ ├── gold_soln_benzaldehydes_m796_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m796_1.mol2 │ ├── ranked_benzaldehydes_m796_10.mol2 │ ├── ranked_benzaldehydes_m796_11.mol2 │ ├── ranked_benzaldehydes_m796_12.mol2 │ ├── ranked_benzaldehydes_m796_13.mol2 │ ├── ranked_benzaldehydes_m796_14.mol2 │ ├── ranked_benzaldehydes_m796_15.mol2 │ ├── ranked_benzaldehydes_m796_16.mol2 │ ├── ranked_benzaldehydes_m796_17.mol2 │ ├── ranked_benzaldehydes_m796_18.mol2 │ ├── ranked_benzaldehydes_m796_19.mol2 │ ├── ranked_benzaldehydes_m796_2.mol2 │ ├── ranked_benzaldehydes_m796_20.mol2 │ ├── ranked_benzaldehydes_m796_3.mol2 │ ├── ranked_benzaldehydes_m796_4.mol2 │ ├── ranked_benzaldehydes_m796_5.mol2 │ ├── ranked_benzaldehydes_m796_6.mol2 │ ├── ranked_benzaldehydes_m796_7.mol2 │ ├── ranked_benzaldehydes_m796_8.mol2 │ └── ranked_benzaldehydes_m796_9.mol2 ├── benzaldehydes_m798 │ ├── benzaldehydes_m798.rnk │ ├── gold_benzaldehydes_m798.log │ ├── gold_benzaldehydes_m798.mol2 │ ├── gold_soln_benzaldehydes_m798_1.mol2 │ ├── gold_soln_benzaldehydes_m798_10.mol2 │ ├── gold_soln_benzaldehydes_m798_11.mol2 │ ├── gold_soln_benzaldehydes_m798_12.mol2 │ ├── gold_soln_benzaldehydes_m798_13.mol2 │ ├── gold_soln_benzaldehydes_m798_14.mol2 │ ├── gold_soln_benzaldehydes_m798_15.mol2 │ ├── gold_soln_benzaldehydes_m798_16.mol2 │ ├── gold_soln_benzaldehydes_m798_17.mol2 │ ├── gold_soln_benzaldehydes_m798_18.mol2 │ ├── gold_soln_benzaldehydes_m798_19.mol2 │ ├── gold_soln_benzaldehydes_m798_2.mol2 │ ├── gold_soln_benzaldehydes_m798_20.mol2 │ ├── gold_soln_benzaldehydes_m798_3.mol2 │ ├── gold_soln_benzaldehydes_m798_4.mol2 │ ├── gold_soln_benzaldehydes_m798_5.mol2 │ ├── gold_soln_benzaldehydes_m798_6.mol2 │ ├── gold_soln_benzaldehydes_m798_7.mol2 │ ├── gold_soln_benzaldehydes_m798_8.mol2 │ ├── gold_soln_benzaldehydes_m798_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m798_1.mol2 │ ├── ranked_benzaldehydes_m798_10.mol2 │ ├── ranked_benzaldehydes_m798_11.mol2 │ ├── ranked_benzaldehydes_m798_12.mol2 │ ├── ranked_benzaldehydes_m798_13.mol2 │ ├── ranked_benzaldehydes_m798_14.mol2 │ ├── ranked_benzaldehydes_m798_15.mol2 │ ├── ranked_benzaldehydes_m798_16.mol2 │ ├── ranked_benzaldehydes_m798_17.mol2 │ ├── ranked_benzaldehydes_m798_18.mol2 │ ├── ranked_benzaldehydes_m798_19.mol2 │ ├── ranked_benzaldehydes_m798_2.mol2 │ ├── ranked_benzaldehydes_m798_20.mol2 │ ├── ranked_benzaldehydes_m798_3.mol2 │ ├── ranked_benzaldehydes_m798_4.mol2 │ ├── ranked_benzaldehydes_m798_5.mol2 │ ├── ranked_benzaldehydes_m798_6.mol2 │ ├── ranked_benzaldehydes_m798_7.mol2 │ ├── ranked_benzaldehydes_m798_8.mol2 │ └── ranked_benzaldehydes_m798_9.mol2 ├── benzaldehydes_m800 │ ├── benzaldehydes_m800.rnk │ ├── gold_benzaldehydes_m800.log │ ├── gold_benzaldehydes_m800.mol2 │ ├── gold_soln_benzaldehydes_m800_1.mol2 │ ├── gold_soln_benzaldehydes_m800_10.mol2 │ ├── gold_soln_benzaldehydes_m800_11.mol2 │ ├── gold_soln_benzaldehydes_m800_12.mol2 │ ├── gold_soln_benzaldehydes_m800_13.mol2 │ ├── gold_soln_benzaldehydes_m800_14.mol2 │ ├── gold_soln_benzaldehydes_m800_15.mol2 │ ├── gold_soln_benzaldehydes_m800_16.mol2 │ ├── gold_soln_benzaldehydes_m800_17.mol2 │ ├── gold_soln_benzaldehydes_m800_18.mol2 │ ├── gold_soln_benzaldehydes_m800_19.mol2 │ ├── gold_soln_benzaldehydes_m800_2.mol2 │ ├── gold_soln_benzaldehydes_m800_20.mol2 │ ├── gold_soln_benzaldehydes_m800_3.mol2 │ ├── gold_soln_benzaldehydes_m800_4.mol2 │ ├── gold_soln_benzaldehydes_m800_5.mol2 │ ├── gold_soln_benzaldehydes_m800_6.mol2 │ ├── gold_soln_benzaldehydes_m800_7.mol2 │ ├── gold_soln_benzaldehydes_m800_8.mol2 │ ├── gold_soln_benzaldehydes_m800_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m800_1.mol2 │ ├── ranked_benzaldehydes_m800_10.mol2 │ ├── ranked_benzaldehydes_m800_11.mol2 │ ├── ranked_benzaldehydes_m800_12.mol2 │ ├── ranked_benzaldehydes_m800_13.mol2 │ ├── ranked_benzaldehydes_m800_14.mol2 │ ├── ranked_benzaldehydes_m800_15.mol2 │ ├── ranked_benzaldehydes_m800_16.mol2 │ ├── ranked_benzaldehydes_m800_17.mol2 │ ├── ranked_benzaldehydes_m800_18.mol2 │ ├── ranked_benzaldehydes_m800_19.mol2 │ ├── ranked_benzaldehydes_m800_2.mol2 │ ├── ranked_benzaldehydes_m800_20.mol2 │ ├── ranked_benzaldehydes_m800_3.mol2 │ ├── ranked_benzaldehydes_m800_4.mol2 │ ├── ranked_benzaldehydes_m800_5.mol2 │ ├── ranked_benzaldehydes_m800_6.mol2 │ ├── ranked_benzaldehydes_m800_7.mol2 │ ├── ranked_benzaldehydes_m800_8.mol2 │ └── ranked_benzaldehydes_m800_9.mol2 ├── benzaldehydes_m815 │ ├── benzaldehydes_m815.rnk │ ├── gold_benzaldehydes_m815.log │ ├── gold_benzaldehydes_m815.mol2 │ ├── gold_soln_benzaldehydes_m815_1.mol2 │ ├── gold_soln_benzaldehydes_m815_10.mol2 │ ├── gold_soln_benzaldehydes_m815_11.mol2 │ ├── gold_soln_benzaldehydes_m815_12.mol2 │ ├── gold_soln_benzaldehydes_m815_13.mol2 │ ├── gold_soln_benzaldehydes_m815_14.mol2 │ ├── gold_soln_benzaldehydes_m815_15.mol2 │ ├── gold_soln_benzaldehydes_m815_16.mol2 │ ├── gold_soln_benzaldehydes_m815_17.mol2 │ ├── gold_soln_benzaldehydes_m815_18.mol2 │ ├── gold_soln_benzaldehydes_m815_19.mol2 │ ├── gold_soln_benzaldehydes_m815_2.mol2 │ ├── gold_soln_benzaldehydes_m815_20.mol2 │ ├── gold_soln_benzaldehydes_m815_3.mol2 │ ├── gold_soln_benzaldehydes_m815_4.mol2 │ ├── gold_soln_benzaldehydes_m815_5.mol2 │ ├── gold_soln_benzaldehydes_m815_6.mol2 │ ├── gold_soln_benzaldehydes_m815_7.mol2 │ ├── gold_soln_benzaldehydes_m815_8.mol2 │ ├── gold_soln_benzaldehydes_m815_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m815_1.mol2 │ ├── ranked_benzaldehydes_m815_10.mol2 │ ├── ranked_benzaldehydes_m815_11.mol2 │ ├── ranked_benzaldehydes_m815_12.mol2 │ ├── ranked_benzaldehydes_m815_13.mol2 │ ├── ranked_benzaldehydes_m815_14.mol2 │ ├── ranked_benzaldehydes_m815_15.mol2 │ ├── ranked_benzaldehydes_m815_16.mol2 │ ├── ranked_benzaldehydes_m815_17.mol2 │ ├── ranked_benzaldehydes_m815_18.mol2 │ ├── ranked_benzaldehydes_m815_19.mol2 │ ├── ranked_benzaldehydes_m815_2.mol2 │ ├── ranked_benzaldehydes_m815_20.mol2 │ ├── ranked_benzaldehydes_m815_3.mol2 │ ├── ranked_benzaldehydes_m815_4.mol2 │ ├── ranked_benzaldehydes_m815_5.mol2 │ ├── ranked_benzaldehydes_m815_6.mol2 │ ├── ranked_benzaldehydes_m815_7.mol2 │ ├── ranked_benzaldehydes_m815_8.mol2 │ └── ranked_benzaldehydes_m815_9.mol2 ├── benzaldehydes_m825 │ ├── benzaldehydes_m825.rnk │ ├── gold_benzaldehydes_m825.log │ ├── gold_benzaldehydes_m825.mol2 │ ├── gold_soln_benzaldehydes_m825_1.mol2 │ ├── gold_soln_benzaldehydes_m825_10.mol2 │ ├── gold_soln_benzaldehydes_m825_11.mol2 │ ├── gold_soln_benzaldehydes_m825_12.mol2 │ ├── gold_soln_benzaldehydes_m825_13.mol2 │ ├── gold_soln_benzaldehydes_m825_14.mol2 │ ├── gold_soln_benzaldehydes_m825_15.mol2 │ ├── gold_soln_benzaldehydes_m825_16.mol2 │ ├── gold_soln_benzaldehydes_m825_17.mol2 │ ├── gold_soln_benzaldehydes_m825_18.mol2 │ ├── gold_soln_benzaldehydes_m825_19.mol2 │ ├── gold_soln_benzaldehydes_m825_2.mol2 │ ├── gold_soln_benzaldehydes_m825_20.mol2 │ ├── gold_soln_benzaldehydes_m825_3.mol2 │ ├── gold_soln_benzaldehydes_m825_4.mol2 │ ├── gold_soln_benzaldehydes_m825_5.mol2 │ ├── gold_soln_benzaldehydes_m825_6.mol2 │ ├── gold_soln_benzaldehydes_m825_7.mol2 │ ├── gold_soln_benzaldehydes_m825_8.mol2 │ ├── gold_soln_benzaldehydes_m825_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m825_1.mol2 │ ├── ranked_benzaldehydes_m825_10.mol2 │ ├── ranked_benzaldehydes_m825_11.mol2 │ ├── ranked_benzaldehydes_m825_12.mol2 │ ├── ranked_benzaldehydes_m825_13.mol2 │ ├── ranked_benzaldehydes_m825_14.mol2 │ ├── ranked_benzaldehydes_m825_15.mol2 │ ├── ranked_benzaldehydes_m825_16.mol2 │ ├── ranked_benzaldehydes_m825_17.mol2 │ ├── ranked_benzaldehydes_m825_18.mol2 │ ├── ranked_benzaldehydes_m825_19.mol2 │ ├── ranked_benzaldehydes_m825_2.mol2 │ ├── ranked_benzaldehydes_m825_20.mol2 │ ├── ranked_benzaldehydes_m825_3.mol2 │ ├── ranked_benzaldehydes_m825_4.mol2 │ ├── ranked_benzaldehydes_m825_5.mol2 │ ├── ranked_benzaldehydes_m825_6.mol2 │ ├── ranked_benzaldehydes_m825_7.mol2 │ ├── ranked_benzaldehydes_m825_8.mol2 │ └── ranked_benzaldehydes_m825_9.mol2 ├── benzaldehydes_m873 │ ├── benzaldehydes_m873.rnk │ ├── gold_benzaldehydes_m873.log │ ├── gold_benzaldehydes_m873.mol2 │ ├── gold_soln_benzaldehydes_m873_1.mol2 │ ├── gold_soln_benzaldehydes_m873_10.mol2 │ ├── gold_soln_benzaldehydes_m873_11.mol2 │ ├── gold_soln_benzaldehydes_m873_12.mol2 │ ├── gold_soln_benzaldehydes_m873_13.mol2 │ ├── gold_soln_benzaldehydes_m873_14.mol2 │ ├── gold_soln_benzaldehydes_m873_15.mol2 │ ├── gold_soln_benzaldehydes_m873_16.mol2 │ ├── gold_soln_benzaldehydes_m873_17.mol2 │ ├── gold_soln_benzaldehydes_m873_18.mol2 │ ├── gold_soln_benzaldehydes_m873_19.mol2 │ ├── gold_soln_benzaldehydes_m873_2.mol2 │ ├── gold_soln_benzaldehydes_m873_20.mol2 │ ├── gold_soln_benzaldehydes_m873_3.mol2 │ ├── gold_soln_benzaldehydes_m873_4.mol2 │ ├── gold_soln_benzaldehydes_m873_5.mol2 │ ├── gold_soln_benzaldehydes_m873_6.mol2 │ ├── gold_soln_benzaldehydes_m873_7.mol2 │ ├── gold_soln_benzaldehydes_m873_8.mol2 │ ├── gold_soln_benzaldehydes_m873_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m873_1.mol2 │ ├── ranked_benzaldehydes_m873_10.mol2 │ ├── ranked_benzaldehydes_m873_11.mol2 │ ├── ranked_benzaldehydes_m873_12.mol2 │ ├── ranked_benzaldehydes_m873_13.mol2 │ ├── ranked_benzaldehydes_m873_14.mol2 │ ├── ranked_benzaldehydes_m873_15.mol2 │ ├── ranked_benzaldehydes_m873_16.mol2 │ ├── ranked_benzaldehydes_m873_17.mol2 │ ├── ranked_benzaldehydes_m873_18.mol2 │ ├── ranked_benzaldehydes_m873_19.mol2 │ ├── ranked_benzaldehydes_m873_2.mol2 │ ├── ranked_benzaldehydes_m873_20.mol2 │ ├── ranked_benzaldehydes_m873_3.mol2 │ ├── ranked_benzaldehydes_m873_4.mol2 │ ├── ranked_benzaldehydes_m873_5.mol2 │ ├── ranked_benzaldehydes_m873_6.mol2 │ ├── ranked_benzaldehydes_m873_7.mol2 │ ├── ranked_benzaldehydes_m873_8.mol2 │ └── ranked_benzaldehydes_m873_9.mol2 ├── benzaldehydes_m884 │ ├── benzaldehydes_m884.rnk │ ├── gold_benzaldehydes_m884.log │ ├── gold_benzaldehydes_m884.mol2 │ ├── gold_soln_benzaldehydes_m884_1.mol2 │ ├── gold_soln_benzaldehydes_m884_10.mol2 │ ├── gold_soln_benzaldehydes_m884_11.mol2 │ ├── gold_soln_benzaldehydes_m884_12.mol2 │ ├── gold_soln_benzaldehydes_m884_13.mol2 │ ├── gold_soln_benzaldehydes_m884_14.mol2 │ ├── gold_soln_benzaldehydes_m884_15.mol2 │ ├── gold_soln_benzaldehydes_m884_16.mol2 │ ├── gold_soln_benzaldehydes_m884_17.mol2 │ ├── gold_soln_benzaldehydes_m884_18.mol2 │ ├── gold_soln_benzaldehydes_m884_19.mol2 │ ├── gold_soln_benzaldehydes_m884_2.mol2 │ ├── gold_soln_benzaldehydes_m884_20.mol2 │ ├── gold_soln_benzaldehydes_m884_3.mol2 │ ├── gold_soln_benzaldehydes_m884_4.mol2 │ ├── gold_soln_benzaldehydes_m884_5.mol2 │ ├── gold_soln_benzaldehydes_m884_6.mol2 │ ├── gold_soln_benzaldehydes_m884_7.mol2 │ ├── gold_soln_benzaldehydes_m884_8.mol2 │ ├── gold_soln_benzaldehydes_m884_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m884_1.mol2 │ ├── ranked_benzaldehydes_m884_10.mol2 │ ├── ranked_benzaldehydes_m884_11.mol2 │ ├── ranked_benzaldehydes_m884_12.mol2 │ ├── ranked_benzaldehydes_m884_13.mol2 │ ├── ranked_benzaldehydes_m884_14.mol2 │ ├── ranked_benzaldehydes_m884_15.mol2 │ ├── ranked_benzaldehydes_m884_16.mol2 │ ├── ranked_benzaldehydes_m884_17.mol2 │ ├── ranked_benzaldehydes_m884_18.mol2 │ ├── ranked_benzaldehydes_m884_19.mol2 │ ├── ranked_benzaldehydes_m884_2.mol2 │ ├── ranked_benzaldehydes_m884_20.mol2 │ ├── ranked_benzaldehydes_m884_3.mol2 │ ├── ranked_benzaldehydes_m884_4.mol2 │ ├── ranked_benzaldehydes_m884_5.mol2 │ ├── ranked_benzaldehydes_m884_6.mol2 │ ├── ranked_benzaldehydes_m884_7.mol2 │ ├── ranked_benzaldehydes_m884_8.mol2 │ └── ranked_benzaldehydes_m884_9.mol2 ├── benzaldehydes_m925 │ ├── benzaldehydes_m925.rnk │ ├── gold_benzaldehydes_m925.log │ ├── gold_benzaldehydes_m925.mol2 │ ├── gold_soln_benzaldehydes_m925_1.mol2 │ ├── gold_soln_benzaldehydes_m925_10.mol2 │ ├── gold_soln_benzaldehydes_m925_11.mol2 │ ├── gold_soln_benzaldehydes_m925_12.mol2 │ ├── gold_soln_benzaldehydes_m925_13.mol2 │ ├── gold_soln_benzaldehydes_m925_14.mol2 │ ├── gold_soln_benzaldehydes_m925_15.mol2 │ ├── gold_soln_benzaldehydes_m925_16.mol2 │ ├── gold_soln_benzaldehydes_m925_17.mol2 │ ├── gold_soln_benzaldehydes_m925_18.mol2 │ ├── gold_soln_benzaldehydes_m925_19.mol2 │ ├── gold_soln_benzaldehydes_m925_2.mol2 │ ├── gold_soln_benzaldehydes_m925_20.mol2 │ ├── gold_soln_benzaldehydes_m925_3.mol2 │ ├── gold_soln_benzaldehydes_m925_4.mol2 │ ├── gold_soln_benzaldehydes_m925_5.mol2 │ ├── gold_soln_benzaldehydes_m925_6.mol2 │ ├── gold_soln_benzaldehydes_m925_7.mol2 │ ├── gold_soln_benzaldehydes_m925_8.mol2 │ ├── gold_soln_benzaldehydes_m925_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m925_1.mol2 │ ├── ranked_benzaldehydes_m925_10.mol2 │ ├── ranked_benzaldehydes_m925_11.mol2 │ ├── ranked_benzaldehydes_m925_12.mol2 │ ├── ranked_benzaldehydes_m925_13.mol2 │ ├── ranked_benzaldehydes_m925_14.mol2 │ ├── ranked_benzaldehydes_m925_15.mol2 │ ├── ranked_benzaldehydes_m925_16.mol2 │ ├── ranked_benzaldehydes_m925_17.mol2 │ ├── ranked_benzaldehydes_m925_18.mol2 │ ├── ranked_benzaldehydes_m925_19.mol2 │ ├── ranked_benzaldehydes_m925_2.mol2 │ ├── ranked_benzaldehydes_m925_20.mol2 │ ├── ranked_benzaldehydes_m925_3.mol2 │ ├── ranked_benzaldehydes_m925_4.mol2 │ ├── ranked_benzaldehydes_m925_5.mol2 │ ├── ranked_benzaldehydes_m925_6.mol2 │ ├── ranked_benzaldehydes_m925_7.mol2 │ ├── ranked_benzaldehydes_m925_8.mol2 │ └── ranked_benzaldehydes_m925_9.mol2 ├── benzaldehydes_m935 │ ├── benzaldehydes_m935.rnk │ ├── gold_benzaldehydes_m935.log │ ├── gold_benzaldehydes_m935.mol2 │ ├── gold_soln_benzaldehydes_m935_1.mol2 │ ├── gold_soln_benzaldehydes_m935_10.mol2 │ ├── gold_soln_benzaldehydes_m935_11.mol2 │ ├── gold_soln_benzaldehydes_m935_12.mol2 │ ├── gold_soln_benzaldehydes_m935_13.mol2 │ ├── gold_soln_benzaldehydes_m935_14.mol2 │ ├── gold_soln_benzaldehydes_m935_15.mol2 │ ├── gold_soln_benzaldehydes_m935_16.mol2 │ ├── gold_soln_benzaldehydes_m935_17.mol2 │ ├── gold_soln_benzaldehydes_m935_18.mol2 │ ├── gold_soln_benzaldehydes_m935_19.mol2 │ ├── gold_soln_benzaldehydes_m935_2.mol2 │ ├── gold_soln_benzaldehydes_m935_20.mol2 │ ├── gold_soln_benzaldehydes_m935_3.mol2 │ ├── gold_soln_benzaldehydes_m935_4.mol2 │ ├── gold_soln_benzaldehydes_m935_5.mol2 │ ├── gold_soln_benzaldehydes_m935_6.mol2 │ ├── gold_soln_benzaldehydes_m935_7.mol2 │ ├── gold_soln_benzaldehydes_m935_8.mol2 │ ├── gold_soln_benzaldehydes_m935_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m935_1.mol2 │ ├── ranked_benzaldehydes_m935_10.mol2 │ ├── ranked_benzaldehydes_m935_11.mol2 │ ├── ranked_benzaldehydes_m935_12.mol2 │ ├── ranked_benzaldehydes_m935_13.mol2 │ ├── ranked_benzaldehydes_m935_14.mol2 │ ├── ranked_benzaldehydes_m935_15.mol2 │ ├── ranked_benzaldehydes_m935_16.mol2 │ ├── ranked_benzaldehydes_m935_17.mol2 │ ├── ranked_benzaldehydes_m935_18.mol2 │ ├── ranked_benzaldehydes_m935_19.mol2 │ ├── ranked_benzaldehydes_m935_2.mol2 │ ├── ranked_benzaldehydes_m935_20.mol2 │ ├── ranked_benzaldehydes_m935_3.mol2 │ ├── ranked_benzaldehydes_m935_4.mol2 │ ├── ranked_benzaldehydes_m935_5.mol2 │ ├── ranked_benzaldehydes_m935_6.mol2 │ ├── ranked_benzaldehydes_m935_7.mol2 │ ├── ranked_benzaldehydes_m935_8.mol2 │ └── ranked_benzaldehydes_m935_9.mol2 ├── benzaldehydes_m945 │ ├── benzaldehydes_m945.rnk │ ├── gold_benzaldehydes_m945.log │ ├── gold_benzaldehydes_m945.mol2 │ ├── gold_soln_benzaldehydes_m945_1.mol2 │ ├── gold_soln_benzaldehydes_m945_10.mol2 │ ├── gold_soln_benzaldehydes_m945_11.mol2 │ ├── gold_soln_benzaldehydes_m945_12.mol2 │ ├── gold_soln_benzaldehydes_m945_13.mol2 │ ├── gold_soln_benzaldehydes_m945_14.mol2 │ ├── gold_soln_benzaldehydes_m945_15.mol2 │ ├── gold_soln_benzaldehydes_m945_16.mol2 │ ├── gold_soln_benzaldehydes_m945_17.mol2 │ ├── gold_soln_benzaldehydes_m945_18.mol2 │ ├── gold_soln_benzaldehydes_m945_19.mol2 │ ├── gold_soln_benzaldehydes_m945_2.mol2 │ ├── gold_soln_benzaldehydes_m945_20.mol2 │ ├── gold_soln_benzaldehydes_m945_3.mol2 │ ├── gold_soln_benzaldehydes_m945_4.mol2 │ ├── gold_soln_benzaldehydes_m945_5.mol2 │ ├── gold_soln_benzaldehydes_m945_6.mol2 │ ├── gold_soln_benzaldehydes_m945_7.mol2 │ ├── gold_soln_benzaldehydes_m945_8.mol2 │ ├── gold_soln_benzaldehydes_m945_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m945_1.mol2 │ ├── ranked_benzaldehydes_m945_10.mol2 │ ├── ranked_benzaldehydes_m945_11.mol2 │ ├── ranked_benzaldehydes_m945_12.mol2 │ ├── ranked_benzaldehydes_m945_13.mol2 │ ├── ranked_benzaldehydes_m945_14.mol2 │ ├── ranked_benzaldehydes_m945_15.mol2 │ ├── ranked_benzaldehydes_m945_16.mol2 │ ├── ranked_benzaldehydes_m945_17.mol2 │ ├── ranked_benzaldehydes_m945_18.mol2 │ ├── ranked_benzaldehydes_m945_19.mol2 │ ├── ranked_benzaldehydes_m945_2.mol2 │ ├── ranked_benzaldehydes_m945_20.mol2 │ ├── ranked_benzaldehydes_m945_3.mol2 │ ├── ranked_benzaldehydes_m945_4.mol2 │ ├── ranked_benzaldehydes_m945_5.mol2 │ ├── ranked_benzaldehydes_m945_6.mol2 │ ├── ranked_benzaldehydes_m945_7.mol2 │ ├── ranked_benzaldehydes_m945_8.mol2 │ └── ranked_benzaldehydes_m945_9.mol2 ├── benzaldehydes_m985 │ ├── benzaldehydes_m985.rnk │ ├── gold_benzaldehydes_m985.log │ ├── gold_benzaldehydes_m985.mol2 │ ├── gold_soln_benzaldehydes_m985_1.mol2 │ ├── gold_soln_benzaldehydes_m985_10.mol2 │ ├── gold_soln_benzaldehydes_m985_11.mol2 │ ├── gold_soln_benzaldehydes_m985_12.mol2 │ ├── gold_soln_benzaldehydes_m985_13.mol2 │ ├── gold_soln_benzaldehydes_m985_14.mol2 │ ├── gold_soln_benzaldehydes_m985_15.mol2 │ ├── gold_soln_benzaldehydes_m985_16.mol2 │ ├── gold_soln_benzaldehydes_m985_17.mol2 │ ├── gold_soln_benzaldehydes_m985_18.mol2 │ ├── gold_soln_benzaldehydes_m985_19.mol2 │ ├── gold_soln_benzaldehydes_m985_2.mol2 │ ├── gold_soln_benzaldehydes_m985_20.mol2 │ ├── gold_soln_benzaldehydes_m985_3.mol2 │ ├── gold_soln_benzaldehydes_m985_4.mol2 │ ├── gold_soln_benzaldehydes_m985_5.mol2 │ ├── gold_soln_benzaldehydes_m985_6.mol2 │ ├── gold_soln_benzaldehydes_m985_7.mol2 │ ├── gold_soln_benzaldehydes_m985_8.mol2 │ ├── gold_soln_benzaldehydes_m985_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m985_1.mol2 │ ├── ranked_benzaldehydes_m985_10.mol2 │ ├── ranked_benzaldehydes_m985_11.mol2 │ ├── ranked_benzaldehydes_m985_12.mol2 │ ├── ranked_benzaldehydes_m985_13.mol2 │ ├── ranked_benzaldehydes_m985_14.mol2 │ ├── ranked_benzaldehydes_m985_15.mol2 │ ├── ranked_benzaldehydes_m985_16.mol2 │ ├── ranked_benzaldehydes_m985_17.mol2 │ ├── ranked_benzaldehydes_m985_18.mol2 │ ├── ranked_benzaldehydes_m985_19.mol2 │ ├── ranked_benzaldehydes_m985_2.mol2 │ ├── ranked_benzaldehydes_m985_20.mol2 │ ├── ranked_benzaldehydes_m985_3.mol2 │ ├── ranked_benzaldehydes_m985_4.mol2 │ ├── ranked_benzaldehydes_m985_5.mol2 │ ├── ranked_benzaldehydes_m985_6.mol2 │ ├── ranked_benzaldehydes_m985_7.mol2 │ ├── ranked_benzaldehydes_m985_8.mol2 │ └── ranked_benzaldehydes_m985_9.mol2 └── benzaldehydes_m988 │ ├── benzaldehydes_m988.rnk │ ├── gold_benzaldehydes_m988.log │ ├── gold_benzaldehydes_m988.mol2 │ ├── gold_soln_benzaldehydes_m988_1.mol2 │ ├── gold_soln_benzaldehydes_m988_10.mol2 │ ├── gold_soln_benzaldehydes_m988_11.mol2 │ ├── gold_soln_benzaldehydes_m988_12.mol2 │ ├── gold_soln_benzaldehydes_m988_13.mol2 │ ├── gold_soln_benzaldehydes_m988_14.mol2 │ ├── gold_soln_benzaldehydes_m988_15.mol2 │ ├── gold_soln_benzaldehydes_m988_16.mol2 │ ├── gold_soln_benzaldehydes_m988_17.mol2 │ ├── gold_soln_benzaldehydes_m988_18.mol2 │ ├── gold_soln_benzaldehydes_m988_19.mol2 │ ├── gold_soln_benzaldehydes_m988_2.mol2 │ ├── gold_soln_benzaldehydes_m988_20.mol2 │ ├── gold_soln_benzaldehydes_m988_3.mol2 │ ├── gold_soln_benzaldehydes_m988_4.mol2 │ ├── gold_soln_benzaldehydes_m988_5.mol2 │ ├── gold_soln_benzaldehydes_m988_6.mol2 │ ├── gold_soln_benzaldehydes_m988_7.mol2 │ ├── gold_soln_benzaldehydes_m988_8.mol2 │ ├── gold_soln_benzaldehydes_m988_9.mol2 │ ├── plp_ligand.mol2 │ ├── ranked_benzaldehydes_m988_1.mol2 │ ├── ranked_benzaldehydes_m988_10.mol2 │ ├── ranked_benzaldehydes_m988_11.mol2 │ ├── ranked_benzaldehydes_m988_12.mol2 │ ├── ranked_benzaldehydes_m988_13.mol2 │ ├── ranked_benzaldehydes_m988_14.mol2 │ ├── ranked_benzaldehydes_m988_15.mol2 │ ├── ranked_benzaldehydes_m988_16.mol2 │ ├── ranked_benzaldehydes_m988_17.mol2 │ ├── ranked_benzaldehydes_m988_18.mol2 │ ├── ranked_benzaldehydes_m988_19.mol2 │ ├── ranked_benzaldehydes_m988_2.mol2 │ ├── ranked_benzaldehydes_m988_20.mol2 │ ├── ranked_benzaldehydes_m988_3.mol2 │ ├── ranked_benzaldehydes_m988_4.mol2 │ ├── ranked_benzaldehydes_m988_5.mol2 │ ├── ranked_benzaldehydes_m988_6.mol2 │ ├── ranked_benzaldehydes_m988_7.mol2 │ ├── ranked_benzaldehydes_m988_8.mol2 │ └── ranked_benzaldehydes_m988_9.mol2 ├── img └── SpaceDock_illus.png ├── output ├── DRD3_1.mol2 ├── DRD3_1.tsv ├── DRD3_IChem_Filtering_1.mol2 ├── DRD3_IChem_Filtering_1.tsv ├── ERB_10.mol2 ├── ERB_10.tsv ├── ERB_27.mol2 ├── ERB_27.tsv ├── ERB_IChem_Filtering_10.mol2 ├── ERB_IChem_Filtering_10.tsv ├── ERB_IChem_Filtering_27.mol2 └── ERB_IChem_Filtering_27.tsv └── structures ├── DRD3_3PBL_ligand.mol2 ├── DRD3_3PBL_protein.mol2 ├── ERB_1QKM_ligand.mol2 └── ERB_1QKM_protein.mol2 /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/litfsindt/LIT-SpaceDock/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/litfsindt/LIT-SpaceDock/HEAD/README.md -------------------------------------------------------------------------------- /data/README: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/litfsindt/LIT-SpaceDock/HEAD/data/README -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m127/ranked_acide_1_m127_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m127_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m195/ranked_acide_1_m195_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m195_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m268/ranked_acide_1_m268_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m268_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2793/ranked_acide_1_m2793_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2793_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m2798/ranked_acide_1_m2798_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m2798_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m324/ranked_acide_1_m324_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m324_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m382/ranked_acide_1_m382_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m382_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m392/ranked_acide_1_m392_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m392_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m524/ranked_acide_1_m524_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m524_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m6716/ranked_acide_1_m6716_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m6716_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_1_m8527/ranked_acide_1_m8527_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_1_m8527_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_2_m3756/ranked_acide_2_m3756_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_2_m3756_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_2_m3756/ranked_acide_2_m3756_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_2_m3756_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_2_m3756/ranked_acide_2_m3756_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_2_m3756_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_2_m3756/ranked_acide_2_m3756_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_2_m3756_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_2_m3756/ranked_acide_2_m3756_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_2_m3756_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_2_m3756/ranked_acide_2_m3756_3.mol2: 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/docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m206/ranked_acide_3_m206_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m206_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m26/ranked_acide_3_m26_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m26_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m292/ranked_acide_3_m292_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m292_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m420/ranked_acide_3_m420_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m420_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m8936/ranked_acide_3_m8936_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m8936_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/acide_3_m9005/ranked_acide_3_m9005_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_acide_3_m9005_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1113/ranked_amine_3_m1113_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1113_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m1236/ranked_amine_3_m1236_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1236_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m696/ranked_amine_3_m696_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m696_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m757/ranked_amine_3_m757_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m757_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m817/ranked_amine_3_m817_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m817_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m877/ranked_amine_3_m877_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m877_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m937/ranked_amine_3_m937_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m937_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_3_m975/ranked_amine_3_m975_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m975_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5079/ranked_amine_4_m5079_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5079_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5092/ranked_amine_4_m5092_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5092_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5100/ranked_amine_4_m5100_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5100_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5100/ranked_amine_4_m5100_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5100_6.mol2 -------------------------------------------------------------------------------- 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gold_soln_amine_4_m5100_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_4_m5100/ranked_amine_4_m5100_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_4_m5100_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m2142/ranked_amine_7_m2142_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m2142_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m2142/ranked_amine_7_m2142_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m2142_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m2142/ranked_amine_7_m2142_15.mol2: 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gold_soln_amine_7_m3004_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m3004_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m3004_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m3004_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_3.mol2: 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/docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m3004_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m3004_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m3004/ranked_amine_7_m3004_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m3004_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4345/ranked_amine_7_m4345_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4345_5.mol2 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gold_soln_amine_7_m4345_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4345/ranked_amine_7_m4345_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4345_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4345/ranked_amine_7_m4345_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4345_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4345/ranked_amine_7_m4345_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4345_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4345/ranked_amine_7_m4345_7.mol2: 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/docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4351_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4351/ranked_amine_7_m4351_9.mol2: 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/docked_BBs_DRD3/amine_7_m4380/ranked_amine_7_m4380_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4380_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4380/ranked_amine_7_m4380_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4380_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4380/ranked_amine_7_m4380_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4380_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m4380/ranked_amine_7_m4380_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m4380_5.mol2 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gold_soln_amine_7_m6375_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6375/ranked_amine_7_m6375_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6375_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6375/ranked_amine_7_m6375_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6375_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6375/ranked_amine_7_m6375_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6375_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6375/ranked_amine_7_m6375_5.mol2: 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/docked_BBs_DRD3/amine_7_m6375/ranked_amine_7_m6375_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6375_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6382/ranked_amine_7_m6382_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6382_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6382/ranked_amine_7_m6382_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6382_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6382/ranked_amine_7_m6382_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6382_1.mol2 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gold_soln_amine_7_m6382_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6382/ranked_amine_7_m6382_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6382_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6382/ranked_amine_7_m6382_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6382_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6382/ranked_amine_7_m6382_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6382_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6400/ranked_amine_7_m6400_1.mol2: 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/docked_BBs_DRD3/amine_7_m6400/ranked_amine_7_m6400_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6400_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6400/ranked_amine_7_m6400_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6400_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6400/ranked_amine_7_m6400_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6400_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_DRD3/amine_7_m6400/ranked_amine_7_m6400_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_7_m6400_7.mol2 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gold_soln_amine_1_m1077_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_13.mol2: 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/docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m1077/ranked_amine_1_m1077_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m1077_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m12/ranked_amine_1_m12_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m12_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m186/ranked_amine_1_m186_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m186_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m274/ranked_amine_1_m274_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m274_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m388/ranked_amine_1_m388_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m388_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m39/ranked_amine_1_m39_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m39_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m454/ranked_amine_1_m454_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m454_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m527/ranked_amine_1_m527_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m527_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m584/ranked_amine_1_m584_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m584_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m584/ranked_amine_1_m584_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m584_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m584/ranked_amine_1_m584_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m584_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m584/ranked_amine_1_m584_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m584_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m584/ranked_amine_1_m584_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m584_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m584/ranked_amine_1_m584_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m584_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m667/ranked_amine_1_m667_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m667_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m667/ranked_amine_1_m667_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m667_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m667/ranked_amine_1_m667_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m667_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m667/ranked_amine_1_m667_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m667_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m667/ranked_amine_1_m667_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m667_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m667/ranked_amine_1_m667_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m667_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m734/ranked_amine_1_m734_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m734_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m734/ranked_amine_1_m734_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m734_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m734/ranked_amine_1_m734_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m734_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m734/ranked_amine_1_m734_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m734_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m734/ranked_amine_1_m734_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m734_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m76/ranked_amine_1_m76_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m76_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m818/ranked_amine_1_m818_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m818_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m818/ranked_amine_1_m818_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m818_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m818/ranked_amine_1_m818_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m818_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m818/ranked_amine_1_m818_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m818_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m818/ranked_amine_1_m818_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m818_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m818/ranked_amine_1_m818_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m818_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m884/ranked_amine_1_m884_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m884_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m884/ranked_amine_1_m884_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m884_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m884/ranked_amine_1_m884_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m884_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m884/ranked_amine_1_m884_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m884_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m884/ranked_amine_1_m884_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m884_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m884/ranked_amine_1_m884_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m884_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m952/ranked_amine_1_m952_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m952_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m960/ranked_amine_1_m960_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m960_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m960/ranked_amine_1_m960_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m960_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m960/ranked_amine_1_m960_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m960_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m960/ranked_amine_1_m960_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m960_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m960/ranked_amine_1_m960_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m960_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m960/ranked_amine_1_m960_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m960_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m992/ranked_amine_1_m992_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m992_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_1_m995/ranked_amine_1_m995_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_1_m995_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m1/ranked_amine_3_m1_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m1_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m25/ranked_amine_3_m25_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m25_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_10.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m95/ranked_amine_3_m95_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m95_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_1.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_1.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_10.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_7.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_11.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_13.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_12.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_8.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_13.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_4.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_14.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_19.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_15.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_20.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_16.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_11.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_17.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_17.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_18.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_6.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_19.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_16.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_2.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_9.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_20.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_12.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_3.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_5.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_4.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_15.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_5.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_14.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_6.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_18.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_7.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_2.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_8.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_3.mol2 -------------------------------------------------------------------------------- /docked_BBs_ERB/amine_3_m99/ranked_amine_3_m99_9.mol2: -------------------------------------------------------------------------------- 1 | gold_soln_amine_3_m99_10.mol2 --------------------------------------------------------------------------------