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| DrugBank code | Compound | Predicted probability of positive class |
| DB00157 | NADH | 96.8% |
| DB01992 | Coenzyme A | 94.8% |
| DB00131 | Adenosine phosphate | 92.8% |
| DB15998 | Potassium hydrogen DL-aspartate | 92.2% |
| DB00171 | ATP | 92% |
| DB00115 | Cyanocobalamin | 91.6% |
| DB04137 | Guanosine-5’-Triphosphate | 91.6% |
| DB13949 | Ferric cation | 91.4% |
| DB01082 | Streptomycin | 91.2% |
| DB14577 | Calcium cation | 90.4% |
