Chembase list of 866358 unique molecular structures

ID: 92001

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Apollo Scientific	OR8214

Database	Data ID
PubChem	13377282

M. W.

173.21444

CAS

91258-00-3

Similarity

N/A

ID: 92002

[1,2,3]triazolo[1,5-a]quinoline

$$$$ Data

M. F.

C10H7N3

Suppliers	Catalog Number
Apollo Scientific	OR8215

Database	Data ID
PubChem	13356054

M. W.

169.18268

CAS

235-21-2

Similarity

N/A

ID: 92003

ethynylbenzene

$$$$ Data More

M. F.

C8H6

Suppliers	Catalog Number
Sigma Aldrich	117706 77840
MP Biomedicals	05212155 02156149
Alfa Aesar	A12139

Database	Data ID
Wikipedia	Phenylacetylene
PubChem	10821

M. W.

102.13324

CAS

126716-66-3

Similarity

N/A

ID: 92004

1-iodo-3-methylbutane

$$$$ Data More

M. F.

C5H11I

Suppliers	Catalog Number
Sigma Aldrich	476447
MP Biomedicals	05222974
Alfa Aesar	L05194

Database	Data ID
PubChem	10924

M. W.

198.04531

CAS

541-28-6

Similarity

N/A

ID: 92005

1-iodooctane

$$$$ Data More

M. F.

C8H17I

Suppliers	Catalog Number
Sigma Aldrich	238295 57971
MP Biomedicals	05201557
Alfa Aesar	B22214

Database	Data ID
PubChem	12380

M. W.

240.12505

CAS

629-27-6

Similarity

N/A

ID: 92006

1-(3-chlorophenyl)ethan-1-ol

$$$$ Data

M. F.

C8H9ClO

Suppliers	Catalog Number
Alfa Aesar	L04783
Apollo Scientific	OR8224
Enamine	EN300-49489

Database	Data ID
PubChem	97779

M. W.

156.60946

CAS

6939-95-3

Similarity

N/A

ID: 92007

N-[(2R,3R,4R,5R,6R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hyd...

$$$$ Data

M. F.

C16H18BrClN2O6

Suppliers	Catalog Number
Apollo Scientific	OR8225T
TRC	B682250

Database	Data ID
PubChem	29974819

M. W.

449.68092

CAS

210110-89-7

Similarity

N/A

ID: 92008

4-bromo-2-hydroxybenzonitrile

$$$$ Data More

M. F.

C7H4BrNO

Suppliers	Catalog Number
Apollo Scientific	OR8226
Chemik	CHB27325
Bide Pharmatech	BD94892

Database	Data ID
PubChem	12966961

M. W.

198.01676

CAS

288067-35-6

Similarity

N/A

ID: 92009

4-(4-methylphenyl)pyrimidin-2-amine

$$$$ Data

M. F.

C11H11N3

Suppliers	Catalog Number
Alfa Aesar	H50357
Apollo Scientific	OR8227

Database	Data ID
PubChem	2735370

M. W.

185.22514

CAS

263276-44-4

Similarity

N/A

ID: 92010

1-bromoundecane

$$$$ Data More

M. F.

C11H23Br

Suppliers	Catalog Number
Sigma Aldrich	245038 18580
MP Biomedicals	05204809
Alfa Aesar	A14333

Database	Data ID
PubChem	12744

M. W.

235.20432

CAS

693-67-4

Similarity

N/A

ID: 92011

[bromo(phenyl)methyl]benzene

$$$$ Data More

M. F.

C13H11Br

Suppliers	Catalog Number
Sigma Aldrich	B65403 16955
MP Biomedicals	02154874 05214092
Alfa Aesar	L02211

Database	Data ID
Wikipedia	Bromodiphenylmethane
PubChem	236603

M. W.

247.13044

CAS

7796-74-9

Similarity

N/A

ID: 92012

(2S,4R,5S,6S)-2-(5-bromo-4-chloro-1H-indol-3-yl)-5-acetamido-4-hydroxy-6-[(1S,2R...

$$$$ Data

M. F.

C19H22BrClN2O8

Suppliers	Catalog Number
Apollo Scientific	OR8230T

Database	Data ID
PubChem	71299583

M. W.

521.74358

CAS

Similarity

N/A

ID: 92013

pyrimidine-4,5,6-triamine; sulfuric acid

$$$$ Data

M. F.

C4H9N5O4S

Suppliers	Catalog Number
Sigma Aldrich	T7126 307181
Apollo Scientific	OR8231

Database	Data ID
PubChem	111544

M. W.

223.21036

CAS

49721-45-1

Similarity

N/A

ID: 92014

5-methyl-2-nitrophenol

$$$$ Data More

M. F.

C7H7NO3

Suppliers	Catalog Number
Sigma Aldrich	137790 73462
MP Biomedicals	05225230
Alfa Aesar	A11729

Database	Data ID
PubChem	12788

M. W.

153.13538

CAS

700-38-9

Similarity

N/A

ID: 92015

2-amino-5-methylphenol

$$$$ Data More

M. F.

C7H9NO

Suppliers	Catalog Number
Sigma Aldrich	144916
Alfa Aesar	B23560
Apollo Scientific	OR8233

Database	Data ID
PubChem	76082

M. W.

123.15246

CAS

2835-98-5

Similarity

N/A

ID: 92016

4-chloro-2-nitrophenol

$$$$ Data More

M. F.

C6H4ClNO3

Suppliers	Catalog Number
Sigma Aldrich	25580
MP Biomedicals	05211847
Alfa Aesar	A18150

Database	Data ID
PubChem	6980

M. W.

173.55386

CAS

89-64-5

Similarity

N/A

ID: 92017

2-amino-4-chloro-6-nitrophenol

$$$$ Data More

M. F.

C6H5ClN2O3

Suppliers	Catalog Number
Sigma Aldrich	530387
Apollo Scientific	OR8236
TRC	A603475

Database	Data ID
PubChem	4348294

M. W.

188.5685

CAS

6358-08-3

Similarity

N/A

ID: 92018

2,6-dimethyl-4-nitrosophenol

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Apollo Scientific	OR8237

Database	Data ID
PubChem	83351

M. W.

151.16256

CAS

13331-93-6

Similarity

N/A

ID: 92019

4-nitrosophenol

$$$$ Data

M. F.

C6H5NO2

Suppliers	Catalog Number
Apollo Scientific	OR8238

Database	Data ID
PubChem	7729

M. W.

123.1094

CAS

104-91-6

Similarity

N/A

ID: 92020

(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2...

$$$$ Data More

M. F.

C20H26BrClN2O7

Suppliers	Catalog Number
Sigma Aldrich	B0522 B6650 B3783 (more...)
Alfa Aesar	B21195
Apollo Scientific	OR8238T

Database	Data ID
PubChem	2733578

M. W.

521.78664

CAS

18656-96-7

Similarity

N/A

ID: 92021

2-nitrobenzene-1,3-diol

$$$$ Data More

M. F.

C6H5NO4

Suppliers	Catalog Number
Sigma Aldrich	282847
Alfa Aesar	A12970
Apollo Scientific	OR8239

Database	Data ID
PubChem	11760

M. W.

155.1082

CAS

601-89-8

Similarity

N/A

ID: 92022

3-(sodiooxy)pyridine

$$$$ Data

M. F.

C5H4NNaO

Suppliers	Catalog Number
Apollo Scientific	OR8242

Database	Data ID
PubChem	2723769

M. W.

117.08113

CAS

52536-09-1

Similarity

N/A

ID: 92023

diphenylmethanamine

$$$$ Data More

M. F.

C13H13N

Suppliers	Catalog Number
Sigma Aldrich	A53605 07940
MP Biomedicals	02150434
Alfa Aesar	B24303

Database	Data ID
PubChem	7036

M. W.

183.24902

CAS

552-82-9

Similarity

N/A

ID: 92024

1-nitrosonaphthalen-2-ol

$$$$ Data More

M. F.

C10H7NO2

Suppliers	Catalog Number
Sigma Aldrich	N3765 114693 73910 (more...)
MP Biomedicals	02150142 05201521
Alfa Aesar	A10622

Database	Data ID
PubChem	8580

M. W.

173.16808

CAS

131-91-9

Similarity

N/A

ID: 92025

3-hydroxy-5-nitrobenzonitrile

$$$$ Data

M. F.

C7H4N2O3

Suppliers	Catalog Number
Apollo Scientific	OR8249
Bide Pharmatech	BD229066

Database	Data ID
PubChem	26967604

M. W.

164.11826

CAS

929000-02-2

Similarity

N/A

ID: 92026

1-[(2S,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydrop...

$$$$ Data

M. F.

C10H13N5O4

Suppliers	Catalog Number
Apollo Scientific	OR8250T

Database	Data ID
PubChem	10220987

M. W.

267.24132

CAS

30516-87-1

Similarity

N/A

ID: 92027

3-bromo-5-nitro-N-propylbenzamide

$$$$ Data

M. F.

C10H11BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR8251

Database	Data ID
PubChem	26967606

M. W.

287.10994

CAS

Similarity

N/A

ID: 92028

2-(2-sulfanylethanesulfonyl)ethane-1-thiol

$$$$ Data

M. F.

C4H10O2S3

Suppliers	Catalog Number
Apollo Scientific	OR8251T
TRC	B481825

Database	Data ID
PubChem	2735522

M. W.

186.316

CAS

292615-41-9

Similarity

N/A

ID: 92029

2-(4-methanesulfonyl-2-nitrophenyl)acetic acid

$$$$ Data

M. F.

C9H9NO6S

Suppliers	Catalog Number
Apollo Scientific	OR8252

Database	Data ID
PubChem	26967608

M. W.

259.23586

CAS

Similarity

N/A

ID: 92030

(2R,3R,11R,12R)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic ...

$$$$ Data

M. F.

C16H24O14

Suppliers	Catalog Number
Sigma Aldrich	442666 28127
Apollo Scientific	OR8252T

Database	Data ID
PubChem	3082976

M. W.

440.35336

CAS

61696-54-6

Similarity

N/A

ID: 92031

bis(quinolin-8-ol); sulfuric acid

$$$$ Data

M. F.

C18H16N2O6S

Suppliers	Catalog Number
Sigma Aldrich	H6752 55100 31143 (more...)
MP Biomedicals	05203299
Apollo Scientific	OR8254

Database	Data ID
PubChem	517000

M. W.

388.39444

CAS

134-31-6

Similarity

N/A

ID: 92032

5,7-dichloro-2-methylquinolin-8-ol

$$$$ Data

M. F.

C10H7Cl2NO

Suppliers	Catalog Number
Selleck Chemicals	S4192
Sigma Aldrich	D5164 130532 35879
Apollo Scientific	OR8257

Database	Data ID
Wikipedia	Chlorquinaldol
PubChem	6301

M. W.

228.07468

CAS

72-80-0

Similarity

N/A

ID: 92033

5-chloro-2-methylquinoline trihydrate

$$$$ Data

M. F.

C10H14ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR8259

Database	Data ID
PubChem	44119736

M. W.

231.67606

CAS

4964-69-6

Similarity

N/A

ID: 92034

2-methylquinolin-5-amine

$$$$ Data More

M. F.

C10H10N2

Suppliers	Catalog Number
ChemBridge	4100117
Apollo Scientific	OR8260
Life Chemicals	F2124-0040

Database	Data ID
PubChem	148683

M. W.

158.1998

CAS

54408-50-3

Similarity

N/A

ID: 92035

2-methyl-4-nitrophenol

$$$$ Data More

M. F.

C7H7NO3

Suppliers	Catalog Number
Sigma Aldrich	422908
Apollo Scientific	OR8261
Enamine	EN300-54487

Database	Data ID
PubChem	7442

M. W.

153.13538

CAS

99-53-6

Similarity

N/A

ID: 92036

4-chloro-3-methylphenol

$$$$ Data More

M. F.

C7H7ClO

Suppliers	Catalog Number
Selleck Chemicals	S4209
Sigma Aldrich	C55402 24940 48519
MP Biomedicals	05202828

Database	Data ID
Wikipedia	P-Chlorocresol
PubChem	1732

M. W.

142.58288

CAS

59-50-7

Similarity

N/A

ID: 92037

ethyl 3-(5-formyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate

$$$$ Data

M. F.

C12H17NO3

Suppliers	Catalog Number
Apollo Scientific	OR8264

Database	Data ID
PubChem	1501889

M. W.

223.26828

CAS

21603-70-3

Similarity

N/A

ID: 92038

4,5-dichloropyridine-3-carboxylic acid

$$$$ Data

M. F.

C6H3Cl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR8270

Database	Data ID
PubChem	2736089

M. W.

191.99952

CAS

473837-10-4

Similarity

N/A

ID: 92039

1-(2,3-dichlorophenyl)ethan-1-one

$$$$ Data More

M. F.

C8H6Cl2O

Suppliers	Catalog Number
Alfa Aesar	A12667
Maybridge	TL00325
Apollo Scientific	OR8271

Database	Data ID
PubChem	91986

M. W.

189.03864

CAS

56041-57-7

Similarity

N/A

ID: 92040

(1r,3r)-3-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
Apollo Scientific	OR8272

Database	Data ID
PubChem	40468300

M. W.

249.2625

CAS

Similarity

N/A

ID: 92041

3-bromo-4-(4-chlorophenyl)pyridine

$$$$ Data

M. F.

C11H7BrClN

Suppliers	Catalog Number
Apollo Scientific	OR8274

Database	Data ID
PubChem	21789338

M. W.

268.53698

CAS

335642-99-4

Similarity

N/A

ID: 92042

3-bromo-4-(4-methoxyphenyl)pyridine

$$$$ Data

M. F.

C12H10BrNO

Suppliers	Catalog Number
Apollo Scientific	OR8275

Database	Data ID
PubChem	11357524

M. W.

264.1179

CAS

88345-97-5

Similarity

N/A

ID: 92043

3-bromo-4-(3-methoxyphenyl)pyridine

$$$$ Data

M. F.

C12H10BrNO

Suppliers	Catalog Number
Apollo Scientific	OR8276

Database	Data ID
PubChem	40468296

M. W.

264.1179

CAS

Similarity

N/A

ID: 92044

4-chloro-7-methoxyquinoline

$$$$ Data More

M. F.

C10H8ClNO

Suppliers	Catalog Number
Apollo Scientific	OR8277
Enamine	EN300-88493
Bide Pharmatech	BD12686

Database	Data ID
PubChem	10607829

M. W.

193.62962

CAS

68500-37-8

Similarity

N/A

ID: 92045

ethyl 7-(benzyloxy)-4-hydroxyquinoline-3-carboxylate

$$$$ Data

M. F.

C19H17NO4

Suppliers	Catalog Number
Apollo Scientific	OR8290

Database	Data ID
PubChem	18526306

M. W.

323.34258

CAS

17825-15-9

Similarity

N/A

ID: 92046

7-(benzyloxy)quinolin-4-ol

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR8291
Bide Pharmatech	BD211984

Database	Data ID
PubChem	21075752

M. W.

251.27992

CAS

749922-34-7

Similarity

N/A

ID: 92047

ethyl 4-hydroxy-7-methoxyquinoline-3-carboxylate

$$$$ Data

M. F.

C13H13NO4

Suppliers	Catalog Number
Apollo Scientific	OR8292
InterBioScreen	BB_NC-2679 STOCK1N-76749

Database	Data ID
PubChem	296364

M. W.

247.24662

CAS

63463-15-0

Similarity

N/A

ID: 92048

7-methoxyquinolin-4-ol

$$$$ Data More

M. F.

C10H9NO2

Suppliers	Catalog Number
Sigma Aldrich	699896
Apollo Scientific	OR8294
Enamine	EN300-37305

Database	Data ID
PubChem	2831995

M. W.

175.18396

CAS

82121-05-9

Similarity

N/A

ID: 92049

ethane

$$$$ Data

M. F.

C2H6

Suppliers	Catalog Number
Sigma Aldrich	295302 321273 539775 (more...)
Apollo Scientific	OR8295

Database	Data ID
Wikipedia	Ethane
PubChem	6324

M. W.

30.06904

CAS

74-84-0

Similarity

N/A

ID: 92050

3-bromo-N,N-diethyl-5-nitrobenzamide

$$$$ Data

M. F.

C11H13BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR8296

Database	Data ID
PubChem	26967609

M. W.

301.13652

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