| Number | Explanation |
|---|---|
| 0 | High confidence CMR estimate |
| 40 | CMR uncertain due to missing CONJUGATION |
| 42 | CMR uncertain due to missing BOND value |
| 61 | INVALID CMR due to missing ATOM value |
| 71 | CMR can't do disconnected structures |
| 72 | UNKNOWN CMR error condition |
| 80 | INVALID smiles input |