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

100953 +

N(C1C=CC=CC=1)1C2C=CC(N(C3C=CC=CC=3)C3C=CC=CC=3)=CC=2C2C=C(N(C3C=CC=CC=3)C3C=CC=CC=3)C=CC1=2 +

100954 +

C1C2=C(C3C=CC(C(C)(C)C)=CC=3)C3N4[Zn]56~N7=C(C(C8C=CC9C=CC%10C=CC=N%11~[Re](~[C-]#[O+])(~[C-]#[O+])(~[C-]#[O+])(Br)~N=8C=9C=%10%11)=C8N5C(=C(C5C=CC(C(C)(C)C)=CC=5)C(=N2~6)C=1)C=C8)C=CC7=C(C1C=CC(C(C)(C)C)=CC=1)C4=CC=3 +

100955 +

C(O)1C=CC2C(C3C=CC=CC=3C(=O)O)=C3C=CC(=O)C=C3OC=2C=1 +

100956 +

C1C2CNCCN3CCNCC4=CC5C=CC(CN([H])6~[Co+]7(~N(CC6)(CCNCC6C=CC(C=2)=C(C=6)C=1)CCN~7([H])CC1C=CC2C=C(CNCC3)C=CC=2C=1)O)=CC=5C=C4.[Cl-](=O)(=O)(=O)=O +

100957 +

C1C=CC2=C(C=CC(=C2)CN2(CCN(CCNCC3=CC4C=CC=CC=4C=C3)3CCN(CC4C=C5C=CC=CC5=CC=4)([H])~[Co+]~2~3O)[H])C=1.[Cl-](=O)(=O)(=O)=O +

100958 +

Nc1ccc2c(c1N)C(=O)c1ccccc1C2=O +

100959 +

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

100960 +

F[B-](F)(F)F.F[B-](F)(F)F.c1ccn2~[Ni+2]345(~n6ccccc6-c6cccc(n~36)-c2c1)~n1ccccc1-c1cccc(n~41)-c1ccccn~51 +

100961 +

F[B-](F)(F)F.F[B-](F)(F)F.O=C(O)c1cc2n3~[Ni+2]45(~n6ccccc6-2)(~n2ccccc2-c3c1)~n1ccccc1-c1cc(C(=O)O)cc(n~41)-c1ccccn~51 +

100962 +

F[B-](F)(F)F.F[B-](F)(F)F.Sc1cc2n3~[Ni+2]45(~n6ccccc6-2)(~n2ccccc2-c3c1)~n1ccccc1-c1cc(S)cc(n~41)-c1ccccn~51 +

100963 +

CC1C=CC=C(C)C=1C +

100966 +

[N+](CCCC)(CCCC)(CCCC)CCCC.[P-](F)(F)(F)(F)(F)F +

100967 +

C#C +

100968 +

C1C=C2C3C=CC=C4C5C=CC=C6C7(C8C=CC=CN=8[Fe+2](N#CC)(N8C7=CC=CC=8)(N=56)(N=34)N2=CC=1)C.FC(S([O-])(=O)=O)(F)F.FC(S([O-])(=O)=O)(F)F +

100969 +

C1C=C2C3C=CC=C4C5C=CC=C6C7(C8C=CC=CN=8[Co+2](N#CC)(N8C7=CC=CC=8)(N=56)(N=34)N2=CC=1)C.FC(S([O-])(=O)=O)(F)F.FC(S([O-])(=O)=O)(F)F +

100970 +

NC1C=C2[N+](=C3C(=CC2=CC=1)C=CC(N)=C3)C +

100971 +

[Ir+]1(N2C=C(C=CC=2C2=C(F)C=C(F)C=C21)C(F)(F)F)1(C2C=C(F)C=C(F)C=2C2N1=CC(=CC=2)C(F)(F)F)1N2C=CC(C(C)(C)C)=CC=2C2=CC(C(C)(C)C)=CC=N21 +

100972 +

C1C=C(Cl)C=CC=1O +

100982 +

C1C2C=CC3C=CC=N4[Ru]5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)(N(C=2C=34)=CC=1)(C#N)C#N +

100983 +

C1C2C=CC3C=CC=N4[Co]5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)(N(C=2C=34)=CC=1)(C#N)C#N +

Property:Smiles

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