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Daniel Lowe  committed 05869c0

Added anilate suffix
Added Carbanilic acid and Oxanilic acid

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  • Parent commits 44a7b79

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Files changed (3)

File opsin-core/src/main/resources/uk/ac/cam/ch/wwmm/opsin/resources/carboxylicAcids.xml

     <token value="CC(S)CC" suffixAppliesTo="1,5" labels="1/2//3/4" valType="SMILES">thiomal</token>
 		<token value="C/C=C/C=C/C" suffixAppliesTo="1,6" labels="1/2/3/4/5/6" valType="SMILES">mucon</token>
     <token value="N1CC(C)CCC1" labels="1/2/3//4/5/6" valType="SMILES" suffixAppliesTo="4">nipecot</token>
+    <token value="CC(=O)Nc1ccccc1" labels="1/2///1/2/3/4/5/6" valType="SMILES">oxanil</token>
     <token value="N1C(C)CCCC1" labels="1/2//3/4/5/6" valType="SMILES" suffixAppliesTo="3">pipecolin</token>
     <token value="N1C(C)CCCC1" labels="1/2//3/4/5/6" valType="SMILES" suffixAppliesTo="3">pipecol</token>
     <token value="CC(=O)C" labels="none" valType="SMILES">pyruv</token>

File opsin-core/src/main/resources/uk/ac/cam/ch/wwmm/opsin/resources/nonCarboxylicAcids.xml

     <token value="[Sb](O)(O)(O)=O" labels="none" valType="SMILES" usableAsAJoiner="yes" acceptsAdditiveBonds="yes">antimon</token><!--deprecated-->
     <token value="S(O)(O)(=O)=O" labels="none" valType="SMILES" usableAsAJoiner="yes" acceptsAdditiveBonds="yes">sulfur</token>
 
-<!--carbonic acid and some contractions-->
+<!--carbonic acid and some contractions, oyl is correct for some of these-->
     <token value="C(N)(O)=O" labels="none" valType="SMILES" usableAsAJoiner="yes" defaultInID="2">carbam</token>
+    <token value="C(Nc1ccccc1)(O)=O" labels="//1/2/3/4/5/6//" valType="SMILES" defaultInID="2">carbanil</token>
     <token value="C(O)(O)=O" labels="none" valType="SMILES" usableAsAJoiner="yes" acceptsAdditiveBonds="yes">carbon</token>
 		<token value="CS(=O)(=O)O" labels="none" valType="SMILES" functionalIDs="5">mesyl</token>
     <token value="S(N)(O)(=O)=O" labels="none" valType="SMILES" usableAsAJoiner="yes" defaultInID="2">sulfam</token>

File opsin-core/src/main/resources/uk/ac/cam/ch/wwmm/opsin/resources/suffixes.xml

     <token value="ic" additionalValue="amide">amic</token>
     <token value="ic" additionalValue="amide">amicacid</token>
     <token value="ic" additionalValue="amide">amic acid</token>
+    <token value="ate" additionalValue="anilide">anilate</token>
     <token value="ic" additionalValue="anilide">anilic</token>
     <token value="ic" additionalValue="anilide">anilicacid</token>
     <token value="ic" additionalValue="anilide">anilic acid</token>