Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Life Chemicals	F2160-0014
Enamine	EN300-27016

Database	Data ID
PubChem	12654024

M. W.

179.17266

CAS

Similarity

N/A

ID: 117902

1-tert-butyl-4-isocyanatobenzene

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
Sigma Aldrich	568201
Life Chemicals	F2160-0016

Database	Data ID
PubChem	2735695

M. W.

175.22702

CAS

1943-67-5

Similarity

N/A

ID: 117903

1,3-difluoro-2-isocyanatobenzene

$$$$ Data

M. F.

C7H3F2NO

Suppliers	Catalog Number
Life Chemicals	F2160-0017

Database	Data ID
PubChem	522162

M. W.

155.1016264

CAS

65295-69-4

Similarity

N/A

ID: 117904

2-(isocyanatomethyl)thiophene

$$$$ Data

M. F.

C6H5NOS

Suppliers	Catalog Number
ChemBridge	4012287
Life Chemicals	F2160-0020

Database	Data ID
PubChem	15890621

M. W.

139.175

CAS

71189-20-3

Similarity

N/A

ID: 117905

(3-isocyanatopropyl)benzene

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Sigma Aldrich	571725
Life Chemicals	F2160-0021

Database	Data ID
PubChem	3427666

M. W.

161.20044

CAS

68664-23-3

Similarity

N/A

ID: 117906

1-(isocyanatomethyl)naphthalene

$$$$ Data

M. F.

C12H9NO

Suppliers	Catalog Number
Life Chemicals	F2160-0022

Database	Data ID
PubChem	13257750

M. W.

183.20596

CAS

61924-27-4

Similarity

N/A

ID: 117907

2-hydrazinyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H8N4O

Suppliers	Catalog Number
Life Chemicals	F2161-0003
Enamine	EN300-105915

Database	Data ID
PubChem	4248514

M. W.

176.17532

CAS

Similarity

N/A

ID: 117908

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C9H11N5O

Suppliers	Catalog Number
Life Chemicals	F2161-0006

Database	Data ID
PubChem	12735753

M. W.

205.21654

CAS

Similarity

N/A

ID: 117909

methyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C9H7NO3S

Suppliers	Catalog Number
Life Chemicals	F2161-0008

Database	Data ID
PubChem	1256578

M. W.

209.22178

CAS

517870-23-4

Similarity

N/A

ID: 117910

3-(chloromethyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole

$$$$ Data

M. F.

C12H12ClNO3

Suppliers	Catalog Number
Life Chemicals	F2161-0012

Database	Data ID
PubChem	19623199

M. W.

253.68158

CAS

Similarity

N/A

ID: 117911

2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetic acid

$$$$ Data

M. F.

C12H11NO4

Suppliers	Catalog Number
Life Chemicals	F2161-0026

Database	Data ID
PubChem	28808499

M. W.

233.22004

CAS

Similarity

N/A

ID: 117912

2-(5-phenyl-1,2-oxazol-3-yl)acetic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Life Chemicals	F2161-0027
Enamine	EN300-74802

Database	Data ID
PubChem	23423467

M. W.

203.19406

CAS

Similarity

N/A

ID: 117913

2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetic acid

$$$$ Data

M. F.

C11H8ClNO3

Suppliers	Catalog Number
Life Chemicals	F2161-0030

Database	Data ID
PubChem	28808495

M. W.

237.63912

CAS

Similarity

N/A

ID: 117914

[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
ChemBridge	4033673
Life Chemicals	F2161-0031

Database	Data ID
PubChem	28808413

M. W.

204.22518

CAS

1018605-16-7

Similarity

N/A

ID: 117915

3-(chloromethyl)-5-(4-fluorophenyl)-1,2-oxazole

$$$$ Data

M. F.

C10H7ClFNO

Suppliers	Catalog Number
Life Chemicals	F2161-0038

Database	Data ID
PubChem	16641473

M. W.

211.6200832

CAS

928796-33-2

Similarity

N/A

ID: 117916

methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C11H8ClNO3

Suppliers	Catalog Number
Life Chemicals	F2161-0040

Database	Data ID
PubChem	3154111

M. W.

237.63912

CAS

176593-36-5

Similarity

N/A

ID: 117917

ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C13H14FN3O2

Suppliers	Catalog Number
Life Chemicals	F2161-0044

Database	Data ID
PubChem	15163347

M. W.

263.2675632

CAS

137278-69-4

Similarity

N/A

ID: 117918

ethyl 5-amino-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C14H17N3O3

Suppliers	Catalog Number
Life Chemicals	F2161-0045

Database	Data ID
PubChem	18002491

M. W.

275.30308

CAS

Similarity

N/A

ID: 117919

7-chloro-4-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyridazine

$$$$ Data

M. F.

C12H9ClN4

Suppliers	Catalog Number
Life Chemicals	F2161-0052

Database	Data ID
PubChem	45496696

M. W.

244.67966

CAS

Similarity

N/A

ID: 117920

ethyl 1-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-5-methyl-1H-pyrazole-4...

$$$$ Data

M. F.

C17H17N3O4

Suppliers	Catalog Number
Life Chemicals	F2161-0054

Database	Data ID
PubChem	45496697

M. W.

327.33458

CAS

Similarity

N/A

ID: 117921

1-benzyl-6-sulfanyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H10N4OS

Suppliers	Catalog Number
Life Chemicals	F2161-0055

Database	Data ID
PubChem	45496698

M. W.

258.299

CAS

Similarity

N/A

ID: 117922

1-[(4-fluorophenyl)methyl]-6-sulfanyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H9FN4OS

Suppliers	Catalog Number
Life Chemicals	F2161-0056

Database	Data ID
PubChem	45496699

M. W.

276.2894632

CAS

Similarity

N/A

ID: 117923

5-methoxyisoquinoline-1-thiol

$$$$ Data

M. F.

C10H9NOS

Suppliers	Catalog Number
Life Chemicals	F2161-0059

Database	Data ID
PubChem	45496700

M. W.

191.24956

CAS

Similarity

N/A

ID: 117924

5-[(4-fluorophenyl)methoxy]isoquinoline-1-thiol

$$$$ Data

M. F.

C16H12FNOS

Suppliers	Catalog Number
Life Chemicals	F2161-0060

Database	Data ID
PubChem	45496701

M. W.

285.3359832

CAS

Similarity

N/A

ID: 117925

2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetic acid

$$$$ Data

M. F.

C9H7NO4

Suppliers	Catalog Number
Life Chemicals	F2161-0067

Database	Data ID
PubChem	28808515

M. W.

193.15618

CAS

Similarity

N/A

ID: 117926

2-[5-amino-3-(thiophen-2-yl)-1H-pyrazol-1-yl]-5-ethyl-6-methyl-3,4-dihydropyrimi...

$$$$ Data

M. F.

C14H15N5OS

Suppliers	Catalog Number
Life Chemicals	F2161-0082

Database	Data ID
PubChem	45497533

M. W.

301.3668

CAS

Similarity

N/A

ID: 117927

5-benzyl-2-hydrazinyl-6-methyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C12H14N4O

Suppliers	Catalog Number
Life Chemicals	F2161-0087

Database	Data ID
PubChem	4738538

M. W.

230.26576

CAS

Similarity

N/A

ID: 117928

2-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-5,6-dimethyl-3,4-dihydropyrimidin-4-o...

$$$$ Data

M. F.

C13H13N5O2

Suppliers	Catalog Number
Life Chemicals	F2161-0095

Database	Data ID
PubChem	45496843

M. W.

271.27462

CAS

Similarity

N/A

ID: 117929

2-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-6-(propan-2-yl)-3,4-dihydropyrimidin-...

$$$$ Data

M. F.

C14H15N5O2

Suppliers	Catalog Number
Life Chemicals	F2161-0096

Database	Data ID
PubChem	45496844

M. W.

285.3012

CAS

Similarity

N/A

ID: 117930

2-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-6-propyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C14H15N5O2

Suppliers	Catalog Number
Life Chemicals	F2161-0097

Database	Data ID
PubChem	45497540

M. W.

285.3012

CAS

Similarity

N/A

ID: 117931

2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-5,6-dimethyl-3,4-dihydropyrimidin-4-on...

$$$$ Data

M. F.

C12H15N5O

Suppliers	Catalog Number
Life Chemicals	F2161-0103

Database	Data ID
PubChem	45496845

M. W.

245.2804

CAS

Similarity

N/A

ID: 117932

2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-5-ethyl-6-methyl-3,4-dihydropyrimidin-...

$$$$ Data

M. F.

C13H17N5O

Suppliers	Catalog Number
Life Chemicals	F2161-0104

Database	Data ID
PubChem	45497546

M. W.

259.30698

CAS

Similarity

N/A

ID: 117933

2-cyclopropyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Life Chemicals	F2161-0105

Database	Data ID
PubChem	795663

M. W.

186.2099

CAS

Similarity

N/A

ID: 117934

2-[5-(thiophen-2-yl)-1,2-oxazol-3-yl]acetic acid

$$$$ Data

M. F.

C9H7NO3S

Suppliers	Catalog Number
Life Chemicals	F2162-0002

Database	Data ID
PubChem	27555425

M. W.

209.22178

CAS

Similarity

N/A

ID: 117935

(5-phenyl-1,2-oxazol-3-yl)methanamine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Life Chemicals	F2162-0003
Enamine	EN300-64230
A&J Pharmtech	AJA-O12840 AJA-O12168 AJA-O13742

Database	Data ID
PubChem	5200315

M. W.

174.1992

CAS

154016-47-4

Similarity

N/A

ID: 117936

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanamine

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
ChemBridge	4031481
Life Chemicals	F2162-0005

Database	Data ID
PubChem	42281866

M. W.

208.64426

CAS

Similarity

N/A

ID: 117937

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine

$$$$ Data

M. F.

C10H9FN2O

Suppliers	Catalog Number
Life Chemicals	F2162-0006

Database	Data ID
PubChem	42281868

M. W.

192.1896632

CAS

Similarity

N/A

ID: 117938

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methanamine

$$$$ Data

M. F.

C12H14N2O3

Suppliers	Catalog Number
Life Chemicals	F2162-0007

Database	Data ID
PubChem	25220804

M. W.

234.25116

CAS

Similarity

N/A

ID: 117939

5-isocyanato-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C7H7N3O3

Suppliers	Catalog Number
Life Chemicals	F2163-0010

Database	Data ID
PubChem	21825799

M. W.

181.14878

CAS

39513-61-6

Similarity

N/A

ID: 117940

2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid

$$$$ Data

M. F.

C6H8O3S

Suppliers	Catalog Number
Life Chemicals	F2163-0012
Enamine	EN300-108963

Database	Data ID
PubChem	539946

M. W.

160.19092

CAS

6577-69-1

Similarity

N/A

ID: 117941

3-(isocyanatomethyl)-1,3-diazinane-2,4-dione

$$$$ Data

M. F.

C6H7N3O3

Suppliers	Catalog Number
Life Chemicals	F2163-0013

Database	Data ID
PubChem	39234933

M. W.

169.13808

CAS

Similarity

N/A

ID: 117942

2-methyl-4,4-dioxo-5,6-dihydro-1,4λ⁶-oxathiine-3-carboxylic acid

$$$$ Data

M. F.

C6H8O5S

Suppliers	Catalog Number
Life Chemicals	F2163-0014
Enamine	EN300-108966

Database	Data ID
PubChem	12368327

M. W.

192.18972

CAS

Similarity

N/A

ID: 117943

3-(morpholin-4-yl)pyrazine-2-carboxylic acid

$$$$ Data

M. F.

C9H11N3O3

Suppliers	Catalog Number
Life Chemicals	F2163-0015

Database	Data ID
PubChem	15563990

M. W.

209.20194

CAS

Similarity

N/A

ID: 117944

3-(2-methoxyethyl)-5-methylimidazolidine-2,4-dione

$$$$ Data

M. F.

C7H12N2O3

Suppliers	Catalog Number
Life Chemicals	F2163-0016

Database	Data ID
PubChem	13711661

M. W.

172.18178

CAS

Similarity

N/A

ID: 117945

2-(3-ethyl-2,4-dioxoimidazolidin-1-yl)acetic acid

$$$$ Data

M. F.

C7H10N2O4

Suppliers	Catalog Number
Life Chemicals	F2163-0017

Database	Data ID
PubChem	20746990

M. W.

186.1653

CAS

Similarity

N/A

ID: 117946

4-isocyanatocyclopent-1-ene

$$$$ Data

M. F.

C6H7NO

Suppliers	Catalog Number
Life Chemicals	F2163-0022
Enamine	EN300-84912

Database	Data ID
PubChem	54595036

M. W.

109.12588

CAS

Similarity

N/A

ID: 117947

4-isocyanatocyclohex-1-ene

$$$$ Data

M. F.

C7H9NO

Suppliers	Catalog Number
Life Chemicals	F2163-0023
Enamine	EN300-84913

Database	Data ID
PubChem	18522636

M. W.

123.15246

CAS

Similarity

N/A

ID: 117948

isocyanatocyclobutane

$$$$ Data

M. F.

C5H7NO

Suppliers	Catalog Number
Life Chemicals	F2163-0024
Enamine	EN300-44871

Database	Data ID
PubChem	20543360

M. W.

97.11518

CAS

5811-25-6

Similarity

N/A

ID: 117949

(isocyanatomethyl)cyclopropane

$$$$ Data

M. F.

C5H7NO

Suppliers	Catalog Number
Life Chemicals	F2163-0025
Enamine	EN300-77870
A&J Pharmtech	AJA-O17560

Database	Data ID
PubChem	22473426

M. W.

97.11518

CAS

Similarity

N/A

ID: 117950

(isocyanatomethyl)cyclopentane

$$$$ Data

M. F.

C7H11NO

Suppliers	Catalog Number
Life Chemicals	F2163-0026
Enamine	EN300-48600
A&J Pharmtech	AJA-O21346

Database	Data ID
PubChem	15813637

M. W.

125.16834

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified