ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

• 1850420

Parameters Provided:

name.synonym = 2-Benzoate;2-Benzoic acid;2-Methyl Benzoate;2-Methyl Benzoic acid;2-Methyl-benzoate;2-Methyl-benzoic acid;2-Methylbenzoate;2-Toluate;2-Toluic acid;O-Methylbenzoate;O-Methylbenzoic acid;O-Toluate;O-Toluic acid;o-Toluic acid;O-Toluylate;O-Toluylic acid;Orth
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE '2-Benzoate;2-Benzoic acid;2-Methyl Benzoate;2-Methyl Benzoic acid;2-Methyl-benzoate;2-Methyl-benzoic acid;2-Methylbenzoate;2-Toluate;2-Toluic acid;O-Methylbenzoate;O-Methylbenzoic acid;O-Toluate;O-Toluic acid;o-Toluic acid;O-Toluylate;O-Toluylic acid;Orth' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

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//zinc12.docking.org/results/combination?name.synonym=2-Benzoate%3B2-Benzoic+acid%3B2-Methyl+Benzoate%3B2-Methyl+Benzoic+acid%3B2-Methyl-benzoate%3B2-Methyl-benzoic+acid%3B2-Methylbenzoate%3B2-Toluate%3B2-Toluic+acid%3BO-Methylbenzoate%3BO-Methylbenzoic+acid%3BO-Toluate%3BO-Toluic+acid%3Bo-Toluic+acid%3BO-Toluylate%3BO-Toluylic+acid%3BOrth&filter.purchasability=all

Embed Link to Results

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