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)

• 895862

Parameters Provided:

name.synonym = 3-Nitro-1-propionate;3-Nitro-Propanoic acid;3-Nitro-Propionic acid;3-Nitro-propionic acid;3-Nitropropanoate;3-Nitropropionate;3-Nitropropionic acid;3-Nitropropionic acid, 8CI;3-NP acid;3-NPA;504-88-1 (FREE ACID);beta -nitropropionic acid;beta-Nitropropano
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-Nitro-1-propionate;3-Nitro-Propanoic acid;3-Nitro-Propionic acid;3-Nitro-propionic acid;3-Nitropropanoate;3-Nitropropionate;3-Nitropropionic acid;3-Nitropropionic acid, 8CI;3-NP acid;3-NPA;504-88-1 (FREE ACID);beta -nitropropionic acid;beta-Nitropropano' 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-Nitro-1-propionate%3B3-Nitro-Propanoic+acid%3B3-Nitro-Propionic+acid%3B3-Nitro-propionic+acid%3B3-Nitropropanoate%3B3-Nitropropionate%3B3-Nitropropionic+acid%3B3-Nitropropionic+acid%2C+8CI%3B3-NP+acid%3B3-NPA%3B504-88-1+%28FREE+ACID%29%3Bbeta+-nitropropionic+acid%3Bbeta-Nitropropano&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "3-Nitro-1-propionate;3-Nitro-Propanoic acid;3-Nitro-Propionic acid;3-Nitro-propionic acid;3-Nitropropanoate;3-Nitropropionate;3-Nitropropionic acid;3-Nitropropionic acid, 8CI;3-NP acid;3-NPA;504-88-1 (FREE ACID);beta -nitropropionic acid;beta-Nitropropano" }); </script>