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)

• 1670424

Parameters Provided:

name.synonym = 3-Methyl-6-nitrobenzoic acid; 5-METHYL-2-NITROBENZOIC ACID; 6-Nitro-p-toluic acid; Benzoic acid, 5-methyl-2-nitro-; EINECS 221-481-5; LS-1171; NSC 38067; m-Toluic acid, 6-nitro-
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 '3-Methyl-6-nitrobenzoic acid; 5-METHYL-2-NITROBENZOIC ACID; 6-Nitro-p-toluic acid; Benzoic acid, 5-methyl-2-nitro-; EINECS 221-481-5; LS-1171; NSC 38067; m-Toluic acid, 6-nitro-' 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=3-Methyl-6-nitrobenzoic+acid%3B+5-METHYL-2-NITROBENZOIC+ACID%3B+6-Nitro-p-toluic+acid%3B+Benzoic+acid%2C+5-methyl-2-nitro-%3B+EINECS+221-481-5%3B+LS-1171%3B+NSC+38067%3B+m-Toluic+acid%2C+6-nitro-&filter.purchasability=all

Embed Link to Results

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