Property:Smiles

Purpose

Contains the formula/reaction in canonical Smiles-syntax

Datatype

String

Usage236

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

100928 +

FC(F)(F)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(F)(F)F)cc3)=c3/cc/c(n3)=C(\c3ccc(C(F)(F)F)cc3)C3=N/C(=C(/c4ccc(C(F)(F)F)cc4)c4ccc2n4)C=C3)cc1.[Co] +

100930 +

Nc1cccc2c1C(=O)c1ccccc1C2=O +

100931 +

Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O +

100932 +

Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O +

100933 +

Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O +

100934 +

C1C=CN2~[Ir]3(~N4C(C5C3=CC=CC=5)=CC=CC=4)3(~N4C(C5C3=CC=CC=5)=CC=CC=4)C3=CC=CC=C3C=2C=1 +

100936 +

C1C=CC2C=C3C=CC=CC3=C(C#N)C=2C=1 +

100937 +

C1C=CN2~[Fe]3(~N4=CC=CC=C4C4C=C(C5C=CC(C)=CC=5)C=C(N=4~3)C=2C=1)(Cl)(Cl)Cl +

100939 +

C1C=C2N=CC=NC2=CC=1 +

100940 +

CC1C=CC2C3=C4C(=CC=2)C=CC(C)=N4~[Cu+]2(~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC=C4OC4C=CC=CC=4P~2(C2C=CC=CC=2)C2C=CC=CC=2)~N=13.[B-](F)(F)(F)F +

100941 +

C12CN3N(~[Fe](N=C=S)(N=C=S)(~N4C=CC=CC=4)4~N=1C(CN1C=C(C5C=CC=CC=5)N=N1~4)=CC=C2)=NC(C1C=CC=CC=1)=C3 +

100942 +

[Fe+2]12(~N3N(C=C(C4C=CC=CC=4)N=3)CC3C=CC=C(CN4C=C(C5C=CC=CC=5)N=N4~1)N=3~2)12~N3=NC(C4C=CC=CC=4)=CN3CC3N~1=C(CN1N~2=NC(C2C=CC=CC=2)=C1)C=CC=3.Cl([O-])(=O)(=O)=O.Cl([O-])(=O)(=O)=O +

100944 +

C12CN3N(~[Co]4(~N=1C(CN1C=C(C5C=CC=CC=5)N=N1~4)=CC=C2)(~N1C=CC=CC=1)(~N=C=S)~N=C=S)=NC(C1C=CC=CC=1)=C3 +

100945 +

[Co+2]12(~N3C(CN4C=C(C5C=CC=CC=5)N=N4~1)=CC=CC=3CN1N~2=NC(C2C=CC=CC=2)=C1)12~N3N(C=C(C4C=CC=CC=4)N=3)CC3C=CC=C(CN4C=C(C5C=CC=CC=5)N=N4~1)N=3~2.Cl(=O)([O-])(=O)=O.Cl(=O)([O-])(=O)=O +

100947 +

c1ccc(-c2cc3n4~[Fe]56(~n7ccccc7-3)(~n3ccccc3-c4c2)~n2ccccc2-c2cc(-c3ccccc3)cc(n~52)-c2ccccn~62)cc1 +

100948 +

Clc1ccc(-c2cc3n4~[Fe]56(~n7ccccc7-3)(~n3ccccc3-c4c2)~n2ccccc2-c2cc(-c3ccc(Cl)cc3)cc(n~52)-c2ccccn~62)cc1 +

100949 +

CN(C)c1ccc(-c2cc3n4~[Fe]56(~n7ccccc7-3)(~n3ccccc3-c4c2)~n2ccccc2-c2cc(-c3ccc(N(C)C)cc3)cc(n~52)-c2ccccn~62)cc1 +

100950 +

N(C1C=CC=CC=1)1C2C=CC(N(C)C)=CC=2C2C=C(N(C)C)C=CC1=2 +

100951 +

C1C=CC2N(C)C(C)=[N+](C)C=2C=1.[I-] +

100952 +

N1C2C=CC(N(C)C)=CC=2C2C=C(N(C)C)C=CC1=2 +

Property:Smiles

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