ZINC 12

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36870544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiophene-2-sulfonamide 5-(aminomethyl)-N-[(3R)-1,1-diox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.14	-1.68	-64.59	3	6	1	99	325.457	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.14	-2.07	-17.67	2	6	0	98	324.449	4	↓ MOL2 SDF SMILES Flexibase

36870545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(aminomethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-thiophene-2-sulfonamide 5-(aminomethyl)-N-[(3S)-1,1-diox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.14	-1.67	-67.81	3	6	1	99	325.457	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.14	-2.06	-18.3	2	6	0	98	324.449	4	↓ MOL2 SDF SMILES Flexibase

36870552

Analogs

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Popular Name: 5-(2-aminoethyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(3R)-1,1-dio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.06	-0.91	-64.93	3	6	1	99	339.484	5	↓ MOL2 SDF SMILES Flexibase

36870553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-aminoethyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-thiophene-2-sulfonamide 5-(2-aminoethyl)-N-[(3S)-1,1-dio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.06	-0.9	-67.65	3	6	1	99	339.484	5	↓ MOL2 SDF SMILES Flexibase

36967731

Analogs

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Popular Name: 2-[5-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-sulfamoyl]-2-thienyl]acetic 2-[5-[[(3R)-1,1-dioxothiolan-3-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.38	1.65	-56.27	0	7	-1	112	352.435	5	↓ MOL2 SDF SMILES Flexibase

36967733

Analogs

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Popular Name: 2-[5-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-sulfamoyl]-2-thienyl]acetic 2-[5-[[(3S)-1,1-dioxothiolan-3-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.38	1.66	-55.01	0	7	-1	112	352.435	5	↓ MOL2 SDF SMILES Flexibase

36967755

Analogs

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Popular Name: 5-[[(3R)-1,1-dioxothiolan-3-yl]-ethyl-sulfamoyl]thiophene-3-carboxylic 5-[[(3R)-1,1-dioxothiolan-3-yl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	1.35	-62.76	0	7	-1	112	352.435	5	↓ MOL2 SDF SMILES Flexibase

36967757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-sulfamoyl]thiophene-3-carboxylic 5-[[(3S)-1,1-dioxothiolan-3-yl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.59	1.27	-56.8	0	7	-1	112	352.435	5	↓ MOL2 SDF SMILES Flexibase

49239650

Analogs

21810044

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]thiophene-2-sulfonamide 5-ethyl-N-[(3R)-3-methyl-1,1-dio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.71	0.19	-16.83	1	5	0	80	323.461	4	↓ MOL2 SDF SMILES Flexibase

49239652

Analogs

21810044

Draw Identity 99% 90% 80% 70%

Popular Name: 5-ethyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]thiophene-2-sulfonamide 5-ethyl-N-[(3S)-3-methyl-1,1-dio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.71	0.56	-17.35	1	5	0	80	323.461	4	↓ MOL2 SDF SMILES Flexibase

41572440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide 5-chloro-N-[(3R)-1,1-dioxothiola…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.27	-1.01	-17.42	1	5	0	80	315.825	3	↓ MOL2 SDF SMILES Flexibase

41573369

Analogs

41573370

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide 5-bromo-N-[(3R)-1,1-dioxothiolan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	-0.9	-17.41	1	5	0	80	360.276	3	↓ MOL2 SDF SMILES Flexibase

41573370

Analogs

41573369

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide 5-bromo-N-[(3S)-1,1-dioxothiolan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.41	-0.83	-16.37	1	5	0	80	360.276	3	↓ MOL2 SDF SMILES Flexibase

37238850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(3R)-1,1-dioxothiolan-3-yl]s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	-0.34	-53.95	1	7	-1	120	338.408	4	↓ MOL2 SDF SMILES Flexibase

37238853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(3S)-1,1-dioxothiolan-3-yl]s…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.66	-0.28	-54.61	1	7	-1	120	338.408	4	↓ MOL2 SDF SMILES Flexibase

37239041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3R)-1,1-dioxothiolan-3-yl]-methyl-sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(3R)-1,1-dioxothiolan-3-yl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.91	1.33	-56.02	0	7	-1	112	352.435	4	↓ MOL2 SDF SMILES Flexibase

37239043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-sulfamoyl]-3-methyl-thiophene-2-carboxylic 5-[[(3S)-1,1-dioxothiolan-3-yl]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.91	1.35	-53.93	0	7	-1	112	352.435	4	↓ MOL2 SDF SMILES Flexibase

49334751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-thiophene-2-sulfonamide 5-chloro-N-[(3R)-1,1-dioxothiola…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	1.96	-16.64	0	5	0	72	353.874	4	↓ MOL2 SDF SMILES Flexibase

49334754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-thiophene-2-sulfonamide 5-chloro-N-[(3S)-1,1-dioxothiola…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	1.96	-16.63	0	5	0	72	353.874	4	↓ MOL2 SDF SMILES Flexibase

49334763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-thiophene-2-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	1.34	-18.03	0	5	0	72	319.429	4	↓ MOL2 SDF SMILES Flexibase

49334765

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-ynyl-thiophene-2-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.88	1.34	-18	0	5	0	72	319.429	4	↓ MOL2 SDF SMILES Flexibase

49336026

Analogs

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Popular Name: N-allyl-5-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide N-allyl-5-chloro-N-[(3R)-1,1-dio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	1.94	-15.55	0	5	0	72	355.89	5	↓ MOL2 SDF SMILES Flexibase

49336029

Analogs

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Popular Name: N-allyl-5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide N-allyl-5-chloro-N-[(3S)-1,1-dio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	1.94	-17.26	0	5	0	72	355.89	5	↓ MOL2 SDF SMILES Flexibase

49336036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide N-allyl-N-[(3R)-1,1-dioxothiolan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	1.32	-17.08	0	5	0	72	321.445	5	↓ MOL2 SDF SMILES Flexibase

49336039

Analogs

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Popular Name: N-allyl-N-[(3S)-1,1-dioxothiolan-3-yl]thiophene-2-sulfonamide N-allyl-N-[(3S)-1,1-dioxothiolan…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	1.31	-18.66	0	5	0	72	321.445	5	↓ MOL2 SDF SMILES Flexibase

49357397

Analogs

21810044

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1,1-dioxothiolan-3-yl]-N,5-dimethyl-thiophene-2-sulfonamide N-[(3R)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.94	0.88	-17.62	0	5	0	72	309.434	3	↓ MOL2 SDF SMILES Flexibase

49357402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N,5-dimethyl-thiophene-2-sulfonamide N-[(3S)-1,1-dioxothiolan-3-yl]-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.94	0.9	-18.48	0	5	0	72	309.434	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 118074
filter.purchasability = annotated
page.format = targets
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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 118074 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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