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)

• 2041061

Parameters Provided:

name.synonym = 1-Isocyanatobutane; BIC; Butane, 1-isocyanato-; Butyl isocyanate; EINECS 203-862-8; HSDB 5548; Isocyanic acid, butyl ester; LS-84435; N-Butyl isocyanate; UN2485; n-Butyl isocyanate [UN2485] [Poison]
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 '1-Isocyanatobutane; BIC; Butane, 1-isocyanato-; Butyl isocyanate; EINECS 203-862-8; HSDB 5548; Isocyanic acid, butyl ester; LS-84435; N-Butyl isocyanate; UN2485; n-Butyl isocyanate [UN2485] [Poison]' 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=1-Isocyanatobutane%3B+BIC%3B+Butane%2C+1-isocyanato-%3B+Butyl+isocyanate%3B+EINECS+203-862-8%3B+HSDB+5548%3B+Isocyanic+acid%2C+butyl+ester%3B+LS-84435%3B+N-Butyl+isocyanate%3B+UN2485%3B+n-Butyl+isocyanate+%5BUN2485%5D+%5BPoison%5D&filter.purchasability=all

Embed Link to Results

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