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)

• 5167659

Parameters Provided:

name.synonym = 2-NP; 2-Nitropropane; AI3-00109; CCRIS 453; Dimethylnitromethane; EINECS 201-209-1; HSDB 1134; Isonitropropane; LS-1785; NSC 5369; Nipar S-20; Nipar S-20 solvent; Nipar S-30 solvent; Nitroisopropane; Propane, 2-nitro-; RCRA waste no. U171; RCRA waste numb
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-NP; 2-Nitropropane; AI3-00109; CCRIS 453; Dimethylnitromethane; EINECS 201-209-1; HSDB 1134; Isonitropropane; LS-1785; NSC 5369; Nipar S-20; Nipar S-20 solvent; Nipar S-30 solvent; Nitroisopropane; Propane, 2-nitro-; RCRA waste no. U171; RCRA waste numb' 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-NP%3B+2-Nitropropane%3B+AI3-00109%3B+CCRIS+453%3B+Dimethylnitromethane%3B+EINECS+201-209-1%3B+HSDB+1134%3B+Isonitropropane%3B+LS-1785%3B+NSC+5369%3B+Nipar+S-20%3B+Nipar+S-20+solvent%3B+Nipar+S-30+solvent%3B+Nitroisopropane%3B+Propane%2C+2-nitro-%3B+RCRA+waste+no.+U171%3B+RCRA+waste+numb&filter.purchasability=all

Embed Link to Results

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