epam / epam/Indigo

The Import of saved inchiKey file doesn't work for Multiple s-group molecules

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Priority: Medium
Dominant language
C++
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406
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2d 11h
Merged PRs (30d)
24

Description

**Steps to Reproduce**
1. Load from KET file: [Import from INCHKEY doesn't work for Multiple s-group molecules.zip](https://github.com/user-attachments/files/20161973/Import.from.INCHKEY.doesn.t.work.for.Multiple.s-group.molecules.zip)

![Image](https://github.com/user-attachments/assets/1e896550-ee91-413f-9f4d-41e8a702a47c)

2. Save as inchikey format [ketcher (inhikey).zip](https://github.com/user-attachments/files/20162084/ketcher.inhikey.zip)

![Image](https://github.com/user-attachments/assets/1c7fd66d-e571-4fb5-af82-7fe7231dd0f5)

3. Try to load this saved inchikey file again.

**Actual behavior**
System throws error message while we try to open saved in the Ketcher file.

![Image](https://github.com/user-attachments/assets/b99eb102-6e7a-45a8-8039-f0a1cb47ceb3)

**Expected behavior**
No Error and Exception:
![image](https://github.com/epam/Indigo/assets/26869421/7d50fa1d-d0ce-42d8-8fbf-725e2c60f253)

*Ketcher version
Version 3.4.0-rc.2 Build at 2025-05-09; 17:40:29
• [Indigo Toolkit](http://lifescience.opensource.epam.com/indigo/) Version 1.32.0-rc.1.0-g65e26e370-wasm32-wasm-clang-19.0.0
• Chrome Version 136.0.7103.48 (Official Build) (64-bit)
• Win11

Issue found while verifying https://github.com/epam/Indigo/issues/3355

Contributor guide

No contributing guide indexed for this repository

Research direction

Use the attached KET and saved INCHKEY archives to reproduce the failure in the import path. Compare the save and reload behavior for a molecule containing multiple s-groups, then trace the relevant format-handling entry points. Done means the saved INCHKEY file reloads without an error or exception and preserves the molecule.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
backend
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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