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Analogs

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Popular Name: N-(1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(1,3-benzothiazol-2-yl)-N-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.56 7.05 -16.07 0 5 0 46 333.457 6 ↓

Analogs

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Popular Name: N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(4-methyl-1,3-benzothiazol-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 8.11 -7.25 0 5 0 46 347.484 6 ↓

Analogs

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Popular Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(4-ethoxy-1,3-benzothiazol-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 7.62 -9.34 0 6 0 55 377.51 8 ↓

Analogs

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Popular Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(6-methyl-1,3-benzothiazol-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 7.48 -12.38 0 5 0 46 347.484 6 ↓

Analogs

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Popular Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(6-ethoxy-1,3-benzothiazol-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 6.72 -7.78 0 6 0 55 377.51 8 ↓

Analogs

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Popular Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(6-fluoro-1,3-benzothiazol-2-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 7.11 -13.51 0 5 0 46 351.447 6 ↓

Analogs

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Popular Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(4,6-difluoro-1,3-benzothiazol…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 6.64 -7.86 0 5 0 46 369.437 6 ↓

Analogs

34348500
34348500

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Popular Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(4,7-dimethyl-1,3-benzothiazol…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 7.86 -8 0 5 0 46 361.511 6 ↓

Analogs

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Popular Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(4,7-dimethoxy-1,3-benzothiazo…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.58 5.05 -11.33 0 7 0 64 393.509 8 ↓

Analogs

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Popular Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(4-methoxy-7-methyl-1,3-benzot…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 6.45 -10.85 0 6 0 55 377.51 7 ↓

Analogs

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Popular Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide N-(5,6-dimethyl-1,3-benzothiazol…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.36 7.69 -7.88 0 5 0 46 361.511 6 ↓

Analogs

26148083
26148083
26148093
26148093

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Popular Name: N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzothiazol-2-amine N-[2-[(2R,6R)-2,6-dimethylmorpho…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 5.29 -9.21 1 4 0 37 291.42 4 ↓
Mid Mid (pH 6-8) 2.95 7.29 -46.14 2 4 1 39 292.428 4 ↓

Analogs

26148093
26148093
26148075
26148075

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Popular Name: N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzothiazol-2-amine N-[2-[(2R,6S)-2,6-dimethylmorpho…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 4.92 -8.95 1 4 0 37 291.42 4 ↓
Mid Mid (pH 6-8) 2.95 7.27 -49.16 2 4 1 39 292.428 4 ↓

Analogs

26148075
26148075
26148083
26148083

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Popular Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1,3-benzothiazol-2-amine N-[2-[(2S,6S)-2,6-dimethylmorpho…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.95 5.3 -9.25 1 4 0 37 291.42 4 ↓
Mid Mid (pH 6-8) 2.95 7.29 -46.17 2 4 1 39 292.428 4 ↓

Analogs

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Popular Name: 7-chloro-N-(2-morpholinoethyl)-1,3-benzothiazol-2-amine 7-chloro-N-(2-morpholinoethyl)-1…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 4.02 -7.84 1 4 0 37 297.811 4 ↓
Mid Mid (pH 6-8) 2.86 6.29 -45.26 2 4 1 39 298.819 4 ↓

Analogs

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Popular Name: 5-bromo-N-(2-morpholinoethyl)-1,3-benzothiazol-2-amine 5-bromo-N-(2-morpholinoethyl)-1,…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 4.05 -7.07 1 4 0 37 342.262 4 ↓
Mid Mid (pH 6-8) 3.01 6.32 -47.34 2 4 1 39 343.27 4 ↓

Analogs

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Popular Name: 5-fluoro-N-(2-morpholinoethyl)-1,3-benzothiazol-2-amine 5-fluoro-N-(2-morpholinoethyl)-1…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 3.51 -7.66 1 4 0 37 281.356 4 ↓
Mid Mid (pH 6-8) 2.37 5.78 -48.24 2 4 1 39 282.364 4 ↓

Analogs

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Popular Name: 5-methyl-N-(2-morpholinoethyl)-1,3-benzothiazol-2-amine 5-methyl-N-(2-morpholinoethyl)-1…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 4.1 -8.16 1 4 0 37 277.393 4 ↓
Mid Mid (pH 6-8) 2.65 6.37 -46.39 2 4 1 39 278.401 4 ↓

Analogs

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Popular Name: 5-chloro-N-[(1S)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1S)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 5.08 -6.81 1 4 0 37 311.838 4 ↓
Mid Mid (pH 6-8) 3.21 7.38 -43.26 2 4 1 39 312.846 4 ↓

Analogs

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Popular Name: 5-chloro-N-[(1R)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-chloro-N-[(1R)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.21 5.01 -6.58 1 4 0 37 311.838 4 ↓
Mid Mid (pH 6-8) 3.21 7.34 -43.42 2 4 1 39 312.846 4 ↓

Analogs

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Popular Name: 5-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-methyl-N-[(1S)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 5.11 -8.46 1 4 0 37 291.42 4 ↓
Mid Mid (pH 6-8) 2.98 7.42 -43.49 2 4 1 39 292.428 4 ↓

Analogs

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Popular Name: 5-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-methyl-N-[(1R)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 5.07 -8.32 1 4 0 37 291.42 4 ↓
Mid Mid (pH 6-8) 2.98 7.41 -43.55 2 4 1 39 292.428 4 ↓

Analogs

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Popular Name: 5-fluoro-N-[(1S)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[(1S)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 4.64 -7.26 1 4 0 37 295.383 4 ↓
Mid Mid (pH 6-8) 2.70 6.94 -43.97 2 4 1 39 296.391 4 ↓

Analogs

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Popular Name: 5-fluoro-N-[(1R)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-fluoro-N-[(1R)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 4.58 -7.02 1 4 0 37 295.383 4 ↓
Mid Mid (pH 6-8) 2.70 6.91 -44.09 2 4 1 39 296.391 4 ↓

Analogs

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Popular Name: 5-bromo-N-[(1S)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1S)-1-methyl-2-morph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.18 -6.74 1 4 0 37 356.289 4 ↓
Mid Mid (pH 6-8) 3.34 7.48 -43.2 2 4 1 39 357.297 4 ↓

Analogs

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Popular Name: 5-bromo-N-[(1R)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 5-bromo-N-[(1R)-1-methyl-2-morph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.34 5.12 -6.46 1 4 0 37 356.289 4 ↓
Mid Mid (pH 6-8) 3.34 7.45 -43.44 2 4 1 39 357.297 4 ↓

Analogs

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Popular Name: 7-chloro-N-[(1S)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1S)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 5.09 -7.62 1 4 0 37 311.838 4 ↓
Mid Mid (pH 6-8) 3.19 7.38 -43.57 2 4 1 39 312.846 4 ↓

Analogs

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Popular Name: 7-chloro-N-[(1R)-1-methyl-2-morpholino-ethyl]-1,3-benzothiazol-2-amine 7-chloro-N-[(1R)-1-methyl-2-morp…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.19 5.02 -7.37 1 4 0 37 311.838 4 ↓
Mid Mid (pH 6-8) 3.19 7.35 -43.74 2 4 1 39 312.846 4 ↓

Parameters Provided:

ring.id = 129117
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 = 129117 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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