Property:Smiles

Purpose

Contains the formula/reaction in canonical Smiles-syntax

Datatype

String

Usage203

Filter<p>The <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Property_page/Filter">search filter</a> allows the inclusion of <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Query_expressions">query expressions</a> such as <code>~</code> or <code>!</code>. The selected <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Query_engine">query engine</a> might also support case insensitive matching or other short expressions like:</p><ul><li><code>in:</code> result should include the term, e.g. '<code>in:Foo</code>'</li></ul><ul><li><code>not:</code> result should to not include the term, e.g. '<code>not:Bar</code>'</li></ul>

Showing 20 pages using this property.

1

Molecule collection 100481 +

C([*])1C=CN2~[Ru](~C#O)(~C#O)(~Cl)(~Cl)~N3C=CC([*])=CC=3C=2C=1 +

100482 +

C1C=CN2[Ru]3(OC(=O)O3)3(N4C=CC=CC=4C4C=CC=CN=43)N3C=CC=CC=3C=2C=1 +

100483 +

C1C=CC=N2[Ru]3(P(C4=CC=CC5=C4N3=CC=C5)(C3C=CC=CC=3)C3C=CC=CC=3)3(N4C=CC=CC=4C4C=CC=C(C=12)N=43)N#CC +

100486 +

C1C2C3C=CC=CN=3[Ru]3(N4C(C5C=CC=CN=53)=CC=CC=4)3(N4C=CC=CC=4C4C=CC=CN=43)N=2C=CC=1 +

100489 +

C1C2P~[Re](C#O)(C#O)~PC3C=CC(P~[Re](C#O)(C#O)~PC4C=CC(P~[Re](C#O)(C#O)~PC(C=1)=CC=2)=CC=4)=CC=3 +

100491 +

N1/C2=C(/C3C=CC=C[N+]=3C)\C3=CC=C4/C(/C5C=CC=C[N+]=5C)=C5/C=CC(/C(/C6C=CC=C[N+]=6C)=C6/C=C/C(=C(\C7C=CC=C[N+]=7C)/C=1C=C\2)/N/6[Co]N34)=N/5 +

100492 +

C12C(C)(C)C3C=C(C(C)(C)C)C=C(C4C=C5C6C=CC=C7C8C=CC=C9C%10C=CC=CN=%10[Co](N=89)(N=67)N5=CC=4)C=3OC1=C(C1C=CN3[Co]45N6=CC=CC=C6C6C=CC=C(N=64)C4C=CC=C(N=45)C=3C=1)C=C(C(C)(C)C)C=2 +

100493 +

C1C=C(N2C3C=CC(C4C=CC(C5C=CC=CC=5)=CC=4)=CC=3OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC2=3)C2C=CC=CC=2C=1 +

100494 +

N1=C2N=C3N(~C)C4N=C5N=C(N(~C)C6N=C7NC(N(~C)~C)=NC8N7=C(N=6)N=C(N(~C)C6NC(N2=C(N=6)N=C1~C)=N3)N=8)N=C1N5=C(N=C(N(~C)~C)N1)N=4 +

100496 +

C(F)1=CC(F)=C2C3=CC=CC=N3~[Ir](~C2=C1)1(~C2=CC(F)=CC(F)=C2C2N~1=CC=CC=2)1~C2C(C3N~1=CC=CC=3)=C(F)C=C(F)C=2 +

100497 +

C1C(C)N2~[Cu+]3(~P(CCCCP~3(C3CCCCC3)C3C=CC=CC=3)(C/C=C\C)C3C=CC=CC=3)~N3C4C2=C(C=CC=4C(C2=CC=CC=C2)=CC3C)C=1C1C=CC=CC=1 +

100498 +

C1=CC=C2N(C3=CC=C4C=CC=CC4=C3)C3C=CC=CC=3N(C3=CC4=CC=CC=C4C=C3)C2=C1 +

100499 +

C(O)1=C(O)C=C(O)C2C(=O)C3=CC=CC=C3C(=O)C1=2 +

100500 +

C1=C(Br)C(O)=C(Br)C2CC3=C(Br)C(O)=C(Br)C=C3C3(OC(=O)C4=CC=CC=C34)C12 +

100501 +

C1C=CC(C2C3=N4~[Fe+3]56~N7C(=C(C8[N-]~5C(C(=C4C=C3)C3C=CC=CC=3)=CC=8)C3C=CC=CC=3)C=CC=7C(=C3[N-]~6C=2C=C3)C2C=CC=CC=2)=CC=1.[Cl-] +

100502 +

[Re]([C-]#[O+])([C-]#[O+])([C-]#[O+])(Br)1~N2C(C3C=CC=CN=3~1)=CC=CC=2 +

100503 +

N12[Ni]N(CCNCCC1)CCCNCC2 +

100504 +

C1N2~[Co]34(~N5=C(C=CC=C5C5N~3=CC=CC=5)C3=N~4C=CC=C3)3~N4=C(C=CC=C4C4N~3=CC=CC=4)C=2C=CC=1 +

100505 +

N(CC)(CC)CC +

100507 +

N(CCO)(CCO)CCO +

Property:Smiles

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