Hi,

If you would like get compounds from ChEMBL instead of PubChem you can
use this Python client:
https://github.com/chembl/chembl_webresource_client
and get access to 1.7M+ unique compounds as molfiles, smiles, inchis,
inch keys and images.

Cheers,
Michał

On Fri, Dec 1, 2017 at 6:51 PM, Sundar <jubilantsun...@gmail.com> wrote:
> I would like to download at least SMILES (great if I can also download mol
> files).
> And the same is true for Pubchem Compound ID or using Substance ID.
> Or even download the whole data set using an assay id. Anything could help.
>
> Thanks,
> Jubi
>
> On Fri, Dec 1, 2017 at 11:55 AM, Tim Dudgeon <tdudgeon...@gmail.com> wrote:
>>
>> In what way? Given a single PubChem compound or substance ID you just want
>> to pull the smiles or molfile into RDKit?
>>
>> Tim
>>
>> On 01/12/17 17:26, Sundar wrote:
>>
>> Hi RDkit users,
>>
>> I was wondering if RDkit has a means of downloading compounds from
>> Pubchem.
>> Also let me other ways that helps here.
>>
>> Thanks,
>> Jubi
>>
>>
>>
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