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 | OEChem - C++ Theory Manual
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| OEChem - C++ Theory Manual
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Unfortunately, there are a number of ambiguities in the original paper describing the Daylight SMILES syntax, that have led to different SMILES being accepted or rejected by independent SMILES parser implementations.
| Daylight | Corina | Corina | Concord | COBRA | Synopsis | OEChem | |
| SMILES | 4.41 | 1.6 | WWW | 3.2.1 | 3.21A | 4.0 | 1.0B |
| C1.C1 | Y | Y | Y | N | N | Y | Y |
| C%00CC%00 | Y | Y | Y | N | N | N | Y |
| C(C.C)C | Y | Y | Y | N | N | Y | Y |
| C(C)1CC1 | Y | N | N | N | Y | N | Y |
| C(.C) | Y | Y | Y | N | N | Y | Y |
| C() | Y | Y | N | Y | Y | Y | Y |
| (CO)=O | N | N | N | N | N | Y | N |
| (C) | N | N | N | N | N | Y | Y |
| .C | N | N | N | Y | Y | N | Y |
| C..C | N | Y | N | Y | Y | N | Y |
| C. | N | Y | Y | Y | Y | Y | Y |
| C=(O)C | N | Y | N | N | Y | N | N |
| C((C)) | N | Y | N | Y | N | Y | Y |
| C.(C) | N | Y | N | Y | N | N | Y |
| C1CC(=1) | N | Y | N | N | N | N | Y |
| C1CC(1) | N | N | N | N | N | N | Y |
| C(C.) | N | Y | N | N | N | N | Y |
| C==C | N | Y | N | N | N | N | Y |
| C(1CC1) | N | N | N | N | N | N | Y |
| C(1)CC1 | N | N | N | N | N | N | Y |
The OEChem SMILES parser actually has two modes. The default is relaxed which produces the results above and enables the SMILES extensions described in the next section. It also has a strict mode that may be used for validating SMILES strings that is far less forgiving about dubious SMILES strings.
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| OEChem - C++ Theory Manual
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