Property:Smiles

Purpose

Contains the formula/reaction in canonical Smiles-syntax

Datatype

String

Usage226

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

100617 +

C1C=CC=CC=1O +

100618 +

C(C(F)(F)F)O +

100627 +

C(Br)1C(O)=C(Br)C2OC3=C(Br)C(=O)C(Br)=CC3=C(C3C(C(O)=O)=CC=CC=3)C=2C=1 +

Molecule collection 100632 +

N12[Ni+2]34(N5C=CC=CC=5C5N3=C(C=C([*])C=5)C3N4=CC=CC=3)3N4C=CC=CC=4C4N3=C(C=C([*])C=4)C=1C=CC=C2.F[B-](F)(F)F.F[B-](F)(F)F +

100651 +

C(Br)1C([O-])=C(Br)C2OC3=C(Br)C(=O)C(Br)=CC3=C(C3C(C(=O)[O-])=CC=CC=3)C=2C=1.[Na+].[Na+] +

100659 +

C(C)1C=CN2[Ru+2]3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)3(N4=CC=C(C)C=C4C4C=C(C)C=CN=43)N3=CC=C(C)C=C3C=2C=1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F +

100660 +

[Mo-2](=O)1(~SC2C3=NC4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C(C)(C)OC3N(C)C4C=CC=CC=4N=C3C=2S~1.[K+].[K+] +

100661 +

[N+](CCCC)(CCCC)(CCCC)CCCC.[Mo-](=O)1(~SC2C3N(C(=O)C)C4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C3N(C(=O)C)C4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1 +

100662 +

[Mo-2](=O)1(~SC2C3=NC4C=CC=CC=4N(C)C3OC(C)(C)C=2S~1)1~SC2C(C)(C)OC3N(C)C4C=CC=CC=4N=C3C=2S~1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC +

100663 +

C1C=CC=N2[Ni+2]3([S-]C4N3=CC=CC=4)3([S-]C4=CC=CC=N43)N3=C(NC4C=CC=CC=43)C=12 +

100664 +

C1C=CC=N2[Ni](N3=C(SC4C=CC=CC=43)C=12)1(N2C(S~1)=CC=CC=2)1N2C=CC=CC=2S~1 +

100671 +

N12~[Fe](~Cl)34~N5C6C(C7C(O)=CC=CC=7O)=C7C=CC(C(C8C(O)=CC=CC=8O)=C1C=CC2=C(C1C(O)=CC=CC=1O)C1=N3C(=C(C2C(O)=CC=CC=2O)C5=CC=6)C=C1)=N74 +

100680 +

N12[Ru+2](N3=CC=CC=C3C1=CC=CC=2)1(N2C(C3N1=CC=CC=3)=CC=CC=2)1N2C=CC=CC=2C2=N1C=CC=C2 +

100691 +

C1C=CN2[Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N3=CC=CC4C(=O)C(=O)C=1C=2C=43 +

100693 +

C12N3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24.F[P-](F)(F)(F)(F)F +

100695 +

C1C=CC=N2[Ru+2]3(P(C4C=CC=CC=4)(C4C=CC=CC=4)C4=CC=CC5C=CC=N3C=54)3(N4=C(C5N3=CC=CC=5)C=CC=C4C=12)N#CC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F +

100705 +

C1C=C2C3C=CC=C(C4C(C)=CC(C)=CC=4C)N=3[Mn+]([C-]#[O+])([C-]#[O+])([Br-])N2=C(C2C(C)=CC(C)=CC=2C)C=1 +

100708 +

[Mn+](~C#O)(~C#O)(~C#O)(~[Br-])1~N2=CC=CC3C=CC4C(C=32)=N~1C=CC=4 +

100717 +

C1C=C2C3C=CC=CN=3[Mn+]([C-]#N)([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1 +

Molecule collection 100730 +

C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([*])=C([*])C=5)C=C([*])C([*])=C4)([C-]#[O+])([C-]#[O+])~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([*])=C([*])C=6)C=C([*])C([*])=C5)([C-]#[O+])([C-]#[O+])~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([*])=C([*])C=C6C6C=C([*])C([*])=CN=65)([C-]#[O+])([C-]#[O+])~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F +

Property:Smiles

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