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Erroneous nitrates in SDF files #55

@IAlibay

Description

@IAlibay

Background

Using the SDF files we have found that for some ligands the nitrate groups are represented in a way that can cause issues: OpenFreeEnergy/pontibus#55 (comment)

This yields bad free energy results.

The ask

Updating the SDF files so that nitrates are percieved as [N+](=[O])[O-].

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