gentle smiles parsing for lookup #20
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The ChEBI lookup parses SMILES without sanitization now. This ensures that even "wonky" SMILES get looked up (i.e., SMILES that can be parsed, but not sanitized).
For example:
[H][C@@]12NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)Cc3cnc4c(cccc34)-c3cc1cc(c3O)Oc1ccc(cc1)C[C@@]([H])(C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1)N(C)C(=O)[C@@H](c1cc(Cl)c(O)c(Cl)c1)NC2=Ocan now be looked up (CHEBI:65618). In practice, this still fails for v244 because the SMILES representation in ChEBI changed between the SMILES shown here and the SMILES from v244. However, if we update the SMILES lookup to a newer version in the future, this might actually work.