ZINC 12

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64542108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(m-tolyl)acetamide 2-(1-methylpyrrolo[2,3-b]pyridin…

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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)	2.66	8.8	-15.55	1	4	0	47	279.343	3	↓ MOL2 SDF SMILES Flexibase

64542109

Analogs

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Popular Name: N-(3,5-dimethylphenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(3,5-dimethylphenyl)-2-(1-meth…

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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)	3.06	9.47	-15.65	1	4	0	47	293.37	3	↓ MOL2 SDF SMILES Flexibase

64542113

Analogs

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Popular Name: N-(3-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(3-chlorophenyl)-2-(1-methylpy…

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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)	2.89	8.66	-17	1	4	0	47	299.761	3	↓ MOL2 SDF SMILES Flexibase

64542114

Analogs

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Popular Name: N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(4-chlorophenyl)-2-(1-methylpy…

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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)	2.92	8.66	-15.47	1	4	0	47	299.761	3	↓ MOL2 SDF SMILES Flexibase

64542116

Analogs

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Popular Name: N-(2-fluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(2-fluorophenyl)-2-(1-methylpy…

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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)	2.35	8.24	-13.98	1	4	0	47	283.306	3	↓ MOL2 SDF SMILES Flexibase

64542119

Analogs

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Popular Name: N-(4-fluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(4-fluorophenyl)-2-(1-methylpy…

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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)	2.40	8.2	-16.1	1	4	0	47	283.306	3	↓ MOL2 SDF SMILES Flexibase

65155807

Analogs

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Popular Name: 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(p-tolyl)acetamide 2-(1-ethylpyrrolo[2,3-b]pyridin-…

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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)	3.06	9.73	-15.32	1	4	0	47	293.37	4	↓ MOL2 SDF SMILES Flexibase

65155808

Analogs

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Popular Name: 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(m-tolyl)acetamide 2-(1-ethylpyrrolo[2,3-b]pyridin-…

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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)	3.04	9.73	-15.4	1	4	0	47	293.37	4	↓ MOL2 SDF SMILES Flexibase

65155813

Analogs

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Popular Name: 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-methoxyphenyl)acetamide 2-(1-ethylpyrrolo[2,3-b]pyridin-…

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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)	2.65	8.34	-18.5	1	5	0	56	309.369	5	↓ MOL2 SDF SMILES Flexibase

65155815

Analogs

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Popular Name: 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-methoxyphenyl)acetamide 2-(1-ethylpyrrolo[2,3-b]pyridin-…

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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)	2.67	8.33	-16.24	1	5	0	56	309.369	5	↓ MOL2 SDF SMILES Flexibase

65155836

Analogs

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Popular Name: N-(3,4-dimethoxyphenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(3,4-dimethoxyphenyl)-2-(1-eth…

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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)	2.26	8.25	-18.34	1	6	0	65	339.395	6	↓ MOL2 SDF SMILES Flexibase

65155838

Analogs

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Popular Name: N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(2,4-difluorophenyl)-2-(1-ethy…

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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)	2.87	9.22	-12.98	1	4	0	47	315.323	4	↓ MOL2 SDF SMILES Flexibase

65155848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(3,5-dimethoxyphenyl)-2-(1-eth…

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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)	2.66	7.65	-18.28	1	6	0	65	339.395	6	↓ MOL2 SDF SMILES Flexibase

65155850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(2,3-dimethylphenyl)-2-(1-ethy…

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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)	3.42	10.46	-15.51	1	4	0	47	307.397	4	↓ MOL2 SDF SMILES Flexibase

65155909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(3-ethylphenyl)-2-(1-methylpyr…

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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)	3.13	9.57	-15.34	1	4	0	47	293.37	4	↓ MOL2 SDF SMILES Flexibase

65155926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(3-methoxyphenyl)-2-(1-methylp…

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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)	2.27	7.44	-18.82	1	5	0	56	295.342	4	↓ MOL2 SDF SMILES Flexibase

65155933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(4-ethoxyphenyl)-2-(1-methylpy…

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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)	2.67	8.35	-16.37	1	5	0	56	309.369	5	↓ MOL2 SDF SMILES Flexibase

65155973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide 2-(1-methylpyrrolo[2,3-b]pyridin…

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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)	3.21	7.92	-16.55	1	5	0	56	349.312	5	↓ MOL2 SDF SMILES Flexibase

65155975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide N-(4-ethylphenyl)-2-(1-methylpyr…

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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)	3.15	9.57	-15.52	1	4	0	47	293.37	4	↓ MOL2 SDF SMILES Flexibase

65156202

Analogs

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Popular Name: 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(3-methylsulfanylphenyl)acetamide 2-[1-(2-methoxyethyl)pyrrolo[2,3…

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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)	2.63	9.11	-18.6	1	5	0	56	355.463	7	↓ MOL2 SDF SMILES Flexibase

65156203

Analogs

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Popular Name: N-(3-ethylphenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide N-(3-ethylphenyl)-2-[1-(2-methox…

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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)	3.11	9.52	-15.46	1	5	0	56	337.423	7	↓ MOL2 SDF SMILES Flexibase

65156213

Analogs

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Popular Name: 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(p-tolyl)acetamide 2-[1-(2-methoxyethyl)pyrrolo[2,3…

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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)	2.67	8.76	-15.81	1	5	0	56	323.396	6	↓ MOL2 SDF SMILES Flexibase

65156214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-(m-tolyl)acetamide 2-[1-(2-methoxyethyl)pyrrolo[2,3…

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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)	2.65	8.76	-15.68	1	5	0	56	323.396	6	↓ MOL2 SDF SMILES Flexibase

65156221

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide N-(5-chloro-2-methyl-phenyl)-2-[…

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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)	3.28	9.5	-17.11	1	5	0	56	357.841	6	↓ MOL2 SDF SMILES Flexibase

65156236

Analogs

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Popular Name: N-(2-fluorophenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide N-(2-fluorophenyl)-2-[1-(2-metho…

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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)	2.34	8.2	-14.12	1	5	0	56	327.359	6	↓ MOL2 SDF SMILES Flexibase

65156238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide N-(2,3-dimethylphenyl)-2-[1-(2-m…

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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)	3.02	9.5	-15.84	1	5	0	56	337.423	6	↓ MOL2 SDF SMILES Flexibase

65156250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide N-(4-fluorophenyl)-2-[1-(2-metho…

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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)	2.39	8.16	-16.38	1	5	0	56	327.359	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 367629
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 = 367629 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=367629&filter.purchasability=annotated

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', {
        "ring.id": "367629"        

    });
</script>

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