Re: [Cdk-devel] fingerprint not matching properly (and likely aromaticity problem)

[Egon W. <ego...@gm...>]

On Wed, Jul 21, 2010 at 11:22 PM, Rajarshi Guha <raj...@gm...> wrote:
> On Wed, Jul 21, 2010 at 5:12 PM, Egon Willighagen
> <ego...@gm...> wrote:
>> On Wed, Jul 21, 2010 at 11:09 PM, Rajarshi Guha <raj...@gm...> wrote:
>>> Hi, I have the following SMILES strings:
>>> CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC=CC=CC and
>>> O=C(CN1C=NC=CC1=O)NCC2=CC=CC=C2
>>
>> According to Daylight, the second is not a valid SMILES...
>
> Hmm, it shows up fine on the depict website

Grmph... I guess I made a copy/paste error then... it shows up fine
here too now :(

What about the first then? I double check the copy/paste now... it
seems I had the order wrong...

Egon


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