Chembase list of 866358 unique molecular structures

2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

$$$$ Data

M. F.

C13H17BO3

Suppliers	Catalog Number
Sigma Aldrich	683817
Alfa Aesar	H28846
Apollo Scientific	OR3996

Database	Data ID
PubChem	10977322

M. W.

232.08328

CAS

380151-85-9

Similarity

N/A

ID: 88102

[3-(piperidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C12H16BNO3

Suppliers	Catalog Number
Alfa Aesar	H52952
Apollo Scientific	OR3998
A&J Pharmtech	AJA-O32024

Database	Data ID
PubChem	24901767

M. W.

233.07134

CAS

850568-34-2

Similarity

N/A

ID: 88103

ethyl 2-(1,3,2-dioxaborinan-2-yl)benzoate

$$$$ Data

M. F.

C12H15BO4

Suppliers	Catalog Number
Alfa Aesar	H52897
Apollo Scientific	OR3999
A&J Pharmtech	AJA-O4539

Database	Data ID
PubChem	44119141

M. W.

234.0561

CAS

850567-60-1

Similarity

N/A

ID: 88104

{6-bromo-1H-imidazo[4,5-b]pyridin-2-yl}methanol

$$$$ Data

M. F.

C7H6BrN3O

Suppliers	Catalog Number
Apollo Scientific	OR39997
Enamine	EN300-80223

Database	Data ID
PubChem	10823202

M. W.

228.04604

CAS

Similarity

N/A

ID: 88105

chloro(methylsulfanyl)methane

$$$$ Data

M. F.

C2H5ClS

Suppliers	Catalog Number
Sigma Aldrich	C54007 24390
Alfa Aesar	L10858
Apollo Scientific	OR39998

Database	Data ID
PubChem	16916

M. W.

96.5791

CAS

2373-51-5

Similarity

N/A

ID: 88106

(2E)-4-(4-ethoxyphenyl)-4-oxobut-2-enoic acid

$$$$ Data

M. F.

C12H12O4

Suppliers	Catalog Number
Sigma Aldrich	346004
Apollo Scientific	OR4000

Database	Data ID
PubChem	5702659

M. W.

220.22128

CAS

29582-31-8

Similarity

N/A

ID: 88107

(4-chloropyridin-3-yl)boronic acid

$$$$ Data

M. F.

C5H5BClNO2

Suppliers	Catalog Number
Alfa Aesar	H52697
Apollo Scientific	OR40000
A&J Pharmtech	AJA-O28798

Database	Data ID
PubChem	12067059

M. W.

157.3627

CAS

452972-10-0

Similarity

N/A

ID: 88108

1,4-dithiaspiro[4.5]decan-8-ol

$$$$ Data

M. F.

C8H14OS2

Suppliers	Catalog Number
Apollo Scientific	OR40001

Database	Data ID
PubChem	316413

M. W.

190.32616

CAS

22428-86-0

Similarity

N/A

ID: 88109

1,2,3-trimethoxy-5-(prop-2-en-1-yl)benzene

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Apollo Scientific	OR40002
TRC	E501020

Database	Data ID
Wikipedia	Elemicin
PubChem	10248

M. W.

208.25364

CAS

487-11-6

Similarity

N/A

ID: 88110

1-(3-benzoylphenyl)ethan-1-one

$$$$ Data

M. F.

C15H12O2

Suppliers	Catalog Number
Apollo Scientific	OR40003
TRC	A170975

Database	Data ID
PubChem	2763076

M. W.

224.25458

CAS

66067-44-5

Similarity

N/A

ID: 88111

2,2-dimethyl-4-oxobutanenitrile

$$$$ Data

M. F.

C6H9NO

Suppliers	Catalog Number
Apollo Scientific	OR40004

Database	Data ID
PubChem	2763080

M. W.

111.14176

CAS

18240-73-8

Similarity

N/A

ID: 88112

4-sulfanylbenzonitrile

$$$$ Data

M. F.

C7H5NS

Suppliers	Catalog Number
Apollo Scientific	OR40005
Enamine	EN300-45156

Database	Data ID
PubChem	585058

M. W.

135.1863

CAS

36801-01-1

Similarity

N/A

ID: 88113

6-ethoxynaphthalen-2-amine

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Apollo Scientific	OR40007

Database	Data ID
PubChem	44119485

M. W.

187.23772

CAS

293733-21-8

Similarity

N/A

ID: 88114

1-benzofuran-7-ol

$$$$ Data

M. F.

C8H6O2

Suppliers	Catalog Number
Apollo Scientific	OR40008

Database	Data ID
PubChem	78515

M. W.

134.13204

CAS

4790-81-2

Similarity

N/A

ID: 88115

4-bromoquinolin-2-amine

$$$$ Data

M. F.

C9H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR40009

Database	Data ID
PubChem	14067419

M. W.

223.06928

CAS

36825-32-8

Similarity

N/A

ID: 88116

5-[(2,6-dichlorophenyl)methyl]-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C8H6Cl2N4

Suppliers	Catalog Number
Apollo Scientific	OR4001

Database	Data ID
PubChem	2735973

M. W.

229.06604

CAS

Similarity

N/A

ID: 88117

6,7-dimethoxy-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C10H10O4

Suppliers	Catalog Number
Apollo Scientific	OR40010

Database	Data ID
PubChem	10726459

M. W.

194.184

CAS

Similarity

N/A

ID: 88118

7-bromo-5-chloro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H4BrClO2

Suppliers	Catalog Number
Apollo Scientific	OR40011
Enamine	EN300-123914

Database	Data ID
PubChem	43511785

M. W.

247.47316

CAS

Similarity

N/A

ID: 88119

5,7-dichloro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H4Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR40012

Database	Data ID
PubChem	15155554

M. W.

203.02216

CAS

Similarity

N/A

ID: 88120

6-bromo-2,3-dihydro-1-benzofuran-3-one

$$$$ Data More

M. F.

C8H5BrO2

Suppliers	Catalog Number
Apollo Scientific	OR40014
Enamine	EN300-105111
Bide Pharmatech	BD29009

Database	Data ID
PubChem	44119520

M. W.

213.0281

CAS

201809-69-0

Similarity

N/A

ID: 88121

5-chloro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data More

M. F.

C8H5ClO2

Suppliers	Catalog Number
Apollo Scientific	OR40015
Enamine	EN300-69042
Bide Pharmatech	BD28369

Database	Data ID
PubChem	3711352

M. W.

168.5771

CAS

3261-05-0

Similarity

N/A

ID: 88122

6-chloro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H5ClO2

Suppliers	Catalog Number
Apollo Scientific	OR40016
Bide Pharmatech	BD215836
A&J Pharmtech	AJA-O13865 AJA-O30071

Database	Data ID
PubChem	13778133

M. W.

168.5771

CAS

3260-78-4

Similarity

N/A

ID: 88123

7-chloro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data More

M. F.

C8H5ClO2

Suppliers	Catalog Number
Apollo Scientific	OR40017
Enamine	EN300-69850
Bide Pharmatech	BD220739

Database	Data ID
PubChem	14819341

M. W.

168.5771

CAS

3260-94-4

Similarity

N/A

ID: 88124

2-methylpentanal

$$$$ Data More

M. F.

C6H12O

Suppliers	Catalog Number
Sigma Aldrich	W341304 258563 68330
MP Biomedicals	05216200
Alfa Aesar	B24199

Database	Data ID
PubChem	31245

M. W.

100.15888

CAS

123-15-9

Similarity

N/A

ID: 88125

diphenylmethanol

$$$$ Data More

M. F.

C13H12O

Suppliers	Catalog Number
Sigma Aldrich	B4856 42880
Alfa Aesar	A12884
Apollo Scientific	OR4002

Database	Data ID
Wikipedia	Diphenylmethanol
PubChem	7037

M. W.

184.23378

CAS

91-01-0

Similarity

N/A

ID: 88126

1-bromo-3-methanesulfonylbenzene

$$$$ Data More

M. F.

C7H7BrO2S

Suppliers	Catalog Number
Apollo Scientific	OR40020
TRC	B686460
Bide Pharmatech	BD10495

Database	Data ID
PubChem	2757146

M. W.

235.09828

CAS

34896-80-5

Similarity

N/A

ID: 88127

3-methanesulfonylbenzaldehyde

$$$$ Data

M. F.

C8H8O3S

Suppliers	Catalog Number
Apollo Scientific	OR40021
A&J Pharmtech	AJA-O6432

Database	Data ID
PubChem	13596602

M. W.

184.21232

CAS

43114-43-8

Similarity

N/A

ID: 88128

1-(bromomethyl)-3-methanesulfonylbenzene

$$$$ Data

M. F.

C8H9BrO2S

Suppliers	Catalog Number
Apollo Scientific	OR40022
Bide Pharmatech	BD222717

Database	Data ID
PubChem	22456694

M. W.

249.12486

CAS

82657-76-9

Similarity

N/A

ID: 88129

5-bromo-3-chlorobenzene-1,2-diamine

$$$$ Data

M. F.

C6H6BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR40023

Database	Data ID
PubChem	351528

M. W.

221.48224

CAS

Similarity

N/A

ID: 88130

1,7-diethyl 3-oxoheptanedioate

$$$$ Data

M. F.

C11H18O5

Suppliers	Catalog Number
Sigma Aldrich	232483 75943
Apollo Scientific	OR40026

Database	Data ID
PubChem	575510

M. W.

230.25762

CAS

40420-22-2

Similarity

N/A

ID: 88131

2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Maybridge	CC27204
Apollo Scientific	OR40028
Enamine	EN300-81811

Database	Data ID
PubChem	2795471

M. W.

176.21178

CAS

38002-88-9

Similarity

N/A

ID: 88132

(2,4,6-trimethoxyphenyl)boronic acid

$$$$ Data

M. F.

C9H13BO5

Suppliers	Catalog Number
Alfa Aesar	L19837
Apollo Scientific	OR4003
A&J Pharmtech	AJA-O40410

Database	Data ID
PubChem	4197996

M. W.

212.00752

CAS

135159-25-0

Similarity

N/A

ID: 88133

4-chlorothiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H3ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR40031
A&J Pharmtech	AJA-O38939

Database	Data ID
PubChem	12290695

M. W.

162.59412

CAS

59614-95-8

Similarity

N/A

ID: 88134

2-amino-5-butyl-6-(methoxymethyl)pyrimidin-4-ol

$$$$ Data

M. F.

C10H17N3O2

Suppliers	Catalog Number
Apollo Scientific	OR40032

Database	Data ID
PubChem	2808350

M. W.

211.26088

CAS

175137-37-8

Similarity

N/A

ID: 88135

2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenol

$$$$ Data

M. F.

C14H21BrO

Suppliers	Catalog Number
Apollo Scientific	OR40033

Database	Data ID
PubChem	534778

M. W.

285.21994

CAS

57835-35-5

Similarity

N/A

ID: 88136

furan-3-carbonitrile

$$$$ Data More

M. F.

C5H3NO

Suppliers	Catalog Number
Sigma Aldrich	715700
Alfa Aesar	L14019
Apollo Scientific	OR40038

Database	Data ID
PubChem	100698

M. W.

93.08342

CAS

30078-65-0

Similarity

N/A

ID: 88137

octan-1-ol

$$$$ Data More

M. F.

C8H18O

Suppliers	Catalog Number
Sigma Aldrich	O4500 W280011 W280003 (more...)
MP Biomedicals	02155969 02300157
Alfa Aesar	A15977

Database	Data ID
Wikipedia	Octanol
PubChem	957

M. W.

130.22792

CAS

111-87-5

Similarity

N/A

ID: 88138

[2-(hydroxymethyl)phenyl]methanol

$$$$ Data

M. F.

C8H10O2

Suppliers	Catalog Number
Sigma Aldrich	184829 12570
Alfa Aesar	B23008
Apollo Scientific	OR40041

Database	Data ID
PubChem	69153

M. W.

138.1638

CAS

612-14-6

Similarity

N/A

ID: 88139

1,1-dimethoxypropan-2-one

$$$$ Data More

M. F.

C5H10O3

Suppliers	Catalog Number
Sigma Aldrich	170216 67035
MP Biomedicals	02155559 05223048
Apollo Scientific	OR40044

Database	Data ID
PubChem	80650

M. W.

118.1311

CAS

6342-56-9

Similarity

N/A

ID: 88140

bis(2,5-dioxopyrrolidin-1-yl) carbonate

$$$$ Data More

M. F.

C9H8N2O7

Suppliers	Catalog Number
Sigma Aldrich	225827 43720
Alfa Aesar	H26629
Apollo Scientific	OR40045

Database	Data ID
PubChem	676246

M. W.

256.16902

CAS

74124-79-1

Similarity

N/A

ID: 88141

N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

$$$$ Data

M. F.

C14H23N3O2

Suppliers	Catalog Number
Apollo Scientific	OR40055
Bide Pharmatech	BD226656

Database	Data ID
PubChem	20761785

M. W.

265.35132

CAS

356068-86-5

Similarity

N/A

ID: 88142

4-methylpyridine-3-carbonyl chloride

$$$$ Data

M. F.

C7H6ClNO

Suppliers	Catalog Number
Apollo Scientific	OR40060

Database	Data ID
PubChem	22386188

M. W.

155.58164

CAS

155136-54-2

Similarity

N/A

ID: 88143

4-chloropyridine-3-carbonyl chloride

$$$$ Data

M. F.

C6H3Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR40061

Database	Data ID
PubChem	13597878

M. W.

176.00012

CAS

100791-00-2

Similarity

N/A

ID: 88144

methyl 5-amino-2-methoxybenzoate

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR40062
A&J Pharmtech	AJA-O24548

Database	Data ID
PubChem	89843

M. W.

181.18854

CAS

22802-67-1

Similarity

N/A

ID: 88145

2-amino-4-(methoxycarbonyl)benzoic acid

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
Apollo Scientific	OR40063

Database	Data ID
PubChem	13349386

M. W.

195.17206

CAS

85743-02-8

Similarity

N/A

ID: 88146

8-aminooctanoic acid

$$$$ Data More

M. F.

C8H17NO2

Suppliers	Catalog Number
Sigma Aldrich	A4507 855294
MP Biomedicals	05206543
Alfa Aesar	A17353

Database	Data ID
PubChem	66085

M. W.

159.22608

CAS

1002-57-9

Similarity

N/A

ID: 88147

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

$$$$ Data More

M. F.

C6H12O3

Suppliers	Catalog Number
Sigma Aldrich	237744 59445
Alfa Aesar	B24488
Apollo Scientific	OR40067

Database	Data ID
PubChem	736057

M. W.

132.15768

CAS

22323-82-6

Similarity

N/A

ID: 88148

(5-chloropyrazin-2-yl)boronic acid

$$$$ Data

M. F.

C4H4BClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40070
A&J Pharmtech	AJA-O21981

Database	Data ID
PubChem	51341977

M. W.

158.35076

CAS

Similarity

N/A

ID: 88149

(5-cyanopyrazin-2-yl)boronic acid

$$$$ Data

M. F.

C5H4BN3O2

Suppliers	Catalog Number
Apollo Scientific	OR40071
A&J Pharmtech	AJA-O21982

Database	Data ID
PubChem	45785495

M. W.

148.91516

CAS

1310383-12-0

Similarity

N/A

ID: 88150

2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

$$$$ Data

M. F.

C11H17BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40073
A&J Pharmtech	AJA-O21071

Database	Data ID
PubChem	45785915

M. W.

220.07588

CAS

1101205-24-6

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