Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C15H22O2

Suppliers	Catalog Number
Sigma Aldrich	374202
MP Biomedicals	05226114
Alfa Aesar	A10777

Database	Data ID
PubChem	19147

M. W.

234.33398

CAS

3575-31-3

Similarity

N/A

ID: 79452

4-hexylbenzoic acid

$$$$ Data More

M. F.

C13H18O2

Suppliers	Catalog Number
Sigma Aldrich	359319
Alfa Aesar	A14168
Maybridge	BTB09862

Database	Data ID
PubChem	30725

M. W.

206.28082

CAS

21643-38-9

Similarity

N/A

ID: 79453

4-pentylbenzoic acid

$$$$ Data More

M. F.

C12H16O2

Suppliers	Catalog Number
Sigma Aldrich	230650
MP Biomedicals	05225997
Alfa Aesar	A12086

Database	Data ID
PubChem	33479

M. W.

192.25424

CAS

26311-45-5

Similarity

N/A

ID: 79454

1-bromo-4-octylbenzene

$$$$ Data More

M. F.

C14H21Br

Suppliers	Catalog Number
Alfa Aesar	A14676
Maybridge	BTB09864
Apollo Scientific	OR21923

Database	Data ID
PubChem	142854

M. W.

269.22054

CAS

51554-93-9

Similarity

N/A

ID: 79455

1-bromo-4-heptylbenzene

$$$$ Data

M. F.

C13H19Br

Suppliers	Catalog Number
Alfa Aesar	A12235
Apollo Scientific	OR21924

Database	Data ID
PubChem	2775100

M. W.

255.19396

CAS

76287-49-5

Similarity

N/A

ID: 79456

1-bromo-4-hexylbenzene

$$$$ Data

M. F.

C12H17Br

Suppliers	Catalog Number
Alfa Aesar	A15918
Maybridge	BTB09866
Apollo Scientific	OR21925

Database	Data ID
PubChem	598186

M. W.

241.16738

CAS

23703-22-2

Similarity

N/A

ID: 79457

1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

$$$$ Data More

M. F.

C14H18N2

Suppliers	Catalog Number
Sigma Aldrich	158496 14795
MP Biomedicals	02195518
Alfa Aesar	L00313

Database	Data ID
Wikipedia	1,8-Bis(dimethylamino)naphthalene
PubChem	88675

M. W.

214.30612

CAS

20734-58-1

Similarity

N/A

ID: 79458

4-ethylbenzoic acid

$$$$ Data More

M. F.

C9H10O2

Suppliers	Catalog Number
Sigma Aldrich	191280
Alfa Aesar	A10235
Apollo Scientific	OR21929

Database	Data ID
PubChem	12086

M. W.

150.1745

CAS

619-64-7

Similarity

N/A

ID: 79459

N-(4-iodophenyl)acetamide

$$$$ Data

M. F.

C8H8INO

Suppliers	Catalog Number
Apollo Scientific	OR2193

Database	Data ID
PubChem	12147

M. W.

261.05969

CAS

622-50-4

Similarity

N/A

ID: 79460

4-propylbenzoic acid

$$$$ Data More

M. F.

C10H12O2

Suppliers	Catalog Number
Sigma Aldrich	332976
Alfa Aesar	A14538
Maybridge	BTB09874

Database	Data ID
PubChem	137601

M. W.

164.20108

CAS

2438-05-3

Similarity

N/A

ID: 79461

4-propylbenzoyl chloride

$$$$ Data More

M. F.

C10H11ClO

Suppliers	Catalog Number
Sigma Aldrich	249459
Alfa Aesar	A13452
Maybridge	BTB09875

Database	Data ID
PubChem	104293

M. W.

182.64674

CAS

52710-27-7

Similarity

N/A

ID: 79462

4-pentylbenzoyl chloride

$$$$ Data

M. F.

C12H15ClO

Suppliers	Catalog Number
Sigma Aldrich	222143
Alfa Aesar	A10248
Apollo Scientific	OR21932

Database	Data ID
PubChem	170812

M. W.

210.6999

CAS

49763-65-7

Similarity

N/A

ID: 79463

4-hexylbenzoyl chloride

$$$$ Data

M. F.

C13H17ClO

Suppliers	Catalog Number
Sigma Aldrich	222097
Alfa Aesar	A15659
Apollo Scientific	OR21933

Database	Data ID
PubChem	170863

M. W.

224.72648

CAS

50606-95-6

Similarity

N/A

ID: 79464

4-butylbenzoyl chloride

$$$$ Data

M. F.

C11H13ClO

Suppliers	Catalog Number
Sigma Aldrich	222038
Alfa Aesar	A15082
Apollo Scientific	OR21934

Database	Data ID
PubChem	120049

M. W.

196.67332

CAS

28788-62-7

Similarity

N/A

ID: 79465

2,6-diphenylpyridine

$$$$ Data

M. F.

C17H13N

Suppliers	Catalog Number
Alfa Aesar	B25179
Maybridge	BTB09880
Apollo Scientific	OR21935

Database	Data ID
PubChem	72920

M. W.

231.29182

CAS

3558-69-8

Similarity

N/A

ID: 79466

4,6-dimethyl-2H-pyran-2-one

$$$$ Data

M. F.

C7H8O2

Suppliers	Catalog Number
Sigma Aldrich	370207
Apollo Scientific	OR21936

Database	Data ID
PubChem	12662

M. W.

124.13722

CAS

675-09-2

Similarity

N/A

ID: 79467

2,6-di-tert-butylpyridine

$$$$ Data More

M. F.

C13H21N

Suppliers	Catalog Number
Sigma Aldrich	219584
Maybridge	BTB09883
Apollo Scientific	OR21937

Database	Data ID
Wikipedia	2,6-Di-tert-butylpyridine
PubChem	68510

M. W.

191.31254

CAS

585-48-8

Similarity

N/A

ID: 79468

2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetic acid

$$$$ Data

M. F.

C16H24O3

Suppliers	Catalog Number
Alfa Aesar	A15015
Maybridge	BTB09885
Apollo Scientific	OR21938

Database	Data ID
PubChem	2775110

M. W.

264.35996

CAS

1611-03-6

Similarity

N/A

ID: 79469

2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetonitrile

$$$$ Data

M. F.

C16H23NO

Suppliers	Catalog Number
Alfa Aesar	A13493
Maybridge	BTB09886
Apollo Scientific	OR21939

Database	Data ID
PubChem	615568

M. W.

245.35992

CAS

1611-07-0

Similarity

N/A

ID: 79470

4-(4-methoxyphenyl)butanoic acid

$$$$ Data More

M. F.

C11H14O3

Suppliers	Catalog Number
Sigma Aldrich	163384 65170
Apollo Scientific	OR2194
InterBioScreen	STOCK1N-23814

Database	Data ID
PubChem	78280

M. W.

194.22706

CAS

4521-28-2

Similarity

N/A

ID: 79471

2-bromo-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C16H23BrO2

Suppliers	Catalog Number
Alfa Aesar	H26835
Maybridge	BTB09887
Apollo Scientific	OR21940

Database	Data ID
PubChem	616161

M. W.

327.25662

CAS

14386-64-2

Similarity

N/A

ID: 79472

3,5-di-tert-butyl-4-hydroxybenzonitrile

$$$$ Data

M. F.

C15H21NO

Suppliers	Catalog Number
Alfa Aesar	A15636
Maybridge	BTB09888
Apollo Scientific	OR21941

Database	Data ID
PubChem	137274

M. W.

231.33334

CAS

1988-88-1

Similarity

N/A

ID: 79473

1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethan-1-one

$$$$ Data More

M. F.

C16H24O2

Suppliers	Catalog Number
Alfa Aesar	A12722
Maybridge	BTB09890
Apollo Scientific	OR21943

Database	Data ID
PubChem	616296

M. W.

248.36056

CAS

14035-33-7

Similarity

N/A

ID: 79474

2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione

$$$$ Data More

M. F.

C14H20O2

Suppliers	Catalog Number
Sigma Aldrich	153931
MP Biomedicals	05225445
Alfa Aesar	A13091

Database	Data ID
PubChem	12867

M. W.

220.3074

CAS

719-22-2

Similarity

N/A

ID: 79475

1-ethynyl-4-(heptyloxy)benzene

$$$$ Data

M. F.

C15H20O

Suppliers	Catalog Number
Maybridge	BTB09893
Apollo Scientific	OR21945

Database	Data ID
PubChem	2775115

M. W.

216.3187

CAS

79887-18-6

Similarity

N/A

ID: 79476

1-ethynyl-4-(hexyloxy)benzene

$$$$ Data

M. F.

C14H18O

Suppliers	Catalog Number
Apollo Scientific	OR21946

Database	Data ID
PubChem	2775117

M. W.

202.29212

CAS

79887-17-5

Similarity

N/A

ID: 79477

1-ethynyl-4-(pentyloxy)benzene

$$$$ Data More

M. F.

C13H16O

Suppliers	Catalog Number
Alfa Aesar	H27555
Maybridge	BTB09895
Apollo Scientific	OR21947

Database	Data ID
PubChem	2775119

M. W.

188.26554

CAS

79887-16-4

Similarity

N/A

ID: 79478

1-butoxy-4-ethynylbenzene

$$$$ Data

M. F.

C12H14O

Suppliers	Catalog Number
Maybridge	BTB09896
Apollo Scientific	OR21948

Database	Data ID
PubChem	2775120

M. W.

174.23896

CAS

79887-15-3

Similarity

N/A

ID: 79479

1-ethynyl-4-propoxybenzene

$$$$ Data

M. F.

C11H12O

Suppliers	Catalog Number
Apollo Scientific	OR21949

Database	Data ID
PubChem	2775123

M. W.

160.21238

CAS

39604-97-2

Similarity

N/A

ID: 79480

1-iodo-2-methylpropane

$$$$ Data More

M. F.

C4H9I

Suppliers	Catalog Number
Sigma Aldrich	244732 58560
MP Biomedicals	05215493
Alfa Aesar	A15883

Database	Data ID
PubChem	10556

M. W.

184.01873

CAS

513-38-2

Similarity

N/A

ID: 79481

1-ethynyl-4-octylbenzene

$$$$ Data

M. F.

C16H22

Suppliers	Catalog Number
Apollo Scientific	OR21952

Database	Data ID
PubChem	2775127

M. W.

214.34588

CAS

79887-13-1

Similarity

N/A

ID: 79482

1-ethynyl-4-heptylbenzene

$$$$ Data

M. F.

C15H20

Suppliers	Catalog Number
Maybridge	BTB09901
Apollo Scientific	OR21953

Database	Data ID
PubChem	2775128

M. W.

200.3193

CAS

79887-12-0

Similarity

N/A

ID: 79483

1-ethynyl-4-hexylbenzene

$$$$ Data

M. F.

C14H18

Suppliers	Catalog Number
Maybridge	BTB09902
Apollo Scientific	OR21954

Database	Data ID
PubChem	2775129

M. W.

186.29272

CAS

79887-11-9

Similarity

N/A

ID: 79484

1-ethynyl-4-pentylbenzene

$$$$ Data

M. F.

C13H16

Suppliers	Catalog Number
Sigma Aldrich	457477
Alfa Aesar	H60913
Apollo Scientific	OR21955

Database	Data ID
PubChem	2775131

M. W.

172.26614

CAS

79887-10-8

Similarity

N/A

ID: 79485

(2,4,6-trimethylphenyl)methanethiol

$$$$ Data

M. F.

C10H14S

Suppliers	Catalog Number
Sigma Aldrich	428450
Alfa Aesar	A17139
Apollo Scientific	OR21958

Database	Data ID
PubChem	301953

M. W.

166.28316

CAS

21411-42-7

Similarity

N/A

ID: 79486

(2-chloro-3,4-dimethoxyphenyl)methanol

$$$$ Data

M. F.

C9H11ClO3

Suppliers	Catalog Number
Alfa Aesar	B20688
Apollo Scientific	OR21959

Database	Data ID
PubChem	2775134

M. W.

202.63484

CAS

93983-13-2

Similarity

N/A

ID: 79487

N-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethylidene]hydroxylami...

$$$$ Data

M. F.

C17H25NO

Suppliers	Catalog Number
Apollo Scientific	OR21961

Database	Data ID
PubChem	5708549

M. W.

259.3865

CAS

175136-27-3

Similarity

N/A

ID: 79488

2-chloro-3,4-dimethoxy-6-nitrobenzaldehyde

$$$$ Data

M. F.

C9H8ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR21962

Database	Data ID
PubChem	2775137

M. W.

245.61652

CAS

82330-54-9

Similarity

N/A

ID: 79489

N-{1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene}hydroxylamine

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Apollo Scientific	OR21963

Database	Data ID
PubChem	5354197

M. W.

167.24808

CAS

13559-66-5

Similarity

N/A

ID: 79490

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetic acid

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Maybridge	BTB09929
Apollo Scientific	OR21964
Enamine	EN300-26876

Database	Data ID
PubChem	2775139

M. W.

217.22064

CAS

107367-98-6

Similarity

N/A

ID: 79491

N-[bis(thiophen-2-yl)methylidene]hydroxylamine

$$$$ Data

M. F.

C9H7NOS2

Suppliers	Catalog Number
Alfa Aesar	A18183
Apollo Scientific	OR21966

Database	Data ID
PubChem	2775140

M. W.

209.28798

CAS

10558-44-8

Similarity

N/A

ID: 79492

[2,4,6-trimethyl-3-(sulfanylmethyl)phenyl]methanethiol

$$$$ Data

M. F.

C11H16S2

Suppliers	Catalog Number
Sigma Aldrich	415847
Apollo Scientific	OR21967

Database	Data ID
PubChem	688238

M. W.

212.37474

CAS

10074-13-2

Similarity

N/A

ID: 79493

4-chloro-1,2-dihydrophthalazin-1-one

$$$$ Data More

M. F.

C8H5ClN2O

Suppliers	Catalog Number
Alfa Aesar	H27515
Maybridge	BTB09944
Apollo Scientific	OR21968

Database	Data ID
PubChem	2775142

M. W.

180.5911

CAS

2257-69-4

Similarity

N/A

ID: 79494

1-(3-ethyl-2,6-dihydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Apollo Scientific	OR21969

Database	Data ID
PubChem	2775143

M. W.

180.20048

CAS

Similarity

N/A

ID: 79495

methyl 3-bromobenzoate

$$$$ Data More

M. F.

C8H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	499625
Alfa Aesar	A16174
Apollo Scientific	OR2197

Database	Data ID
PubChem	12070

M. W.

215.04398

CAS

618-89-3

Similarity

N/A

ID: 79496

1-[2-hydroxy-6-(3-methylbutoxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Apollo Scientific	OR21970

Database	Data ID
PubChem	586163

M. W.

222.28022

CAS

249278-25-9

Similarity

N/A

ID: 79497

1-[2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]ethan-1-one

$$$$ Data

M. F.

C14H20O4

Suppliers	Catalog Number
Apollo Scientific	OR21971

Database	Data ID
PubChem	596756

M. W.

252.3062

CAS

Similarity

N/A

ID: 79498

1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H10O4

Suppliers	Catalog Number
Sigma Aldrich	391794
Apollo Scientific	OR21973

Database	Data ID
PubChem	75097

M. W.

194.184

CAS

2161-85-5

Similarity

N/A

ID: 79499

bis(ethyl[(ethylamino)(methylsulfanyl)methylidene]azanium) sulfate

$$$$ Data

M. F.

C12H30N4O4S3

Suppliers	Catalog Number
Apollo Scientific	OR21974

Database	Data ID
PubChem	2775147

M. W.

390.586

CAS

Similarity

N/A

ID: 79500

1-(2,4,6-trihydroxyphenyl)ethan-1-one hydrate

$$$$ Data

M. F.

C8H10O5

Suppliers	Catalog Number
Sigma Aldrich	T64602 41711 91928 (more...)
Apollo Scientific	OR21975

Database	Data ID
PubChem	2775149

M. W.

186.162

CAS

480-66-0

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