Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C7H6Cl2N2

Suppliers	Catalog Number
Matrix Scientific	059853
Enamine	EN300-111202
Bide Pharmatech	BD215127

Database	Data ID
PubChem	24903687

M. W.

189.04194

CAS

7043-09-6

Similarity

N/A

ID: 54902

4,6-dichloro-2-methyl-5-(prop-2-en-1-yl)pyrimidine

$$$$ Data

M. F.

C8H8Cl2N2

Suppliers	Catalog Number
Matrix Scientific	059854

Database	Data ID
PubChem	13070837

M. W.

203.06852

CAS

85826-33-1

Similarity

N/A

ID: 54903

2-(4,6-dichloro-2-methylpyrimidin-5-yl)acetaldehyde

$$$$ Data

M. F.

C7H6Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	059855
Bide Pharmatech	BD232163

Database	Data ID
PubChem	56773423

M. W.

205.04134

CAS

474656-37-6

Similarity

N/A

ID: 54904

4,6-dichloro-N-(prop-2-en-1-yl)pyrimidin-5-amine

$$$$ Data

M. F.

C7H7Cl2N3

Suppliers	Catalog Number
Matrix Scientific	059856

Database	Data ID
PubChem	56773424

M. W.

204.05658

CAS

Similarity

N/A

ID: 54905

2-(4,6-dichloro-2-cyclopropylpyrimidin-5-yl)acetaldehyde

$$$$ Data

M. F.

C9H8Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	059857

Database	Data ID
PubChem	56773425

M. W.

231.07862

CAS

Similarity

N/A

ID: 54906

N-(4,6-dichloropyrimidin-5-yl)formamide

$$$$ Data

M. F.

C5H3Cl2N3O

Suppliers	Catalog Number
Matrix Scientific	059858

Database	Data ID
PubChem	10932261

M. W.

192.00282

CAS

123240-66-4

Similarity

N/A

ID: 54907

6-chloro-2-cyclopropylpyrimidin-4-amine

$$$$ Data

M. F.

C7H8ClN3

Suppliers	Catalog Number
Matrix Scientific	059859

Database	Data ID
PubChem	56773426

M. W.

169.61152

CAS

Similarity

N/A

ID: 54908

6-chloro-2-cyclopropyl-5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C7H7ClFN3

Suppliers	Catalog Number
Matrix Scientific	059860

Database	Data ID
PubChem	56773427

M. W.

187.6019832

CAS

Similarity

N/A

ID: 54909

4,6-dichloro-5-fluoropyrimidine

$$$$ Data More

M. F.

C4HCl2FN2

Suppliers	Catalog Number
Matrix Scientific	059861
Apollo Scientific	PC51025
Bide Pharmatech	BD32625

Database	Data ID
PubChem	11286675

M. W.

166.9685432

CAS

213265-83-9

Similarity

N/A

ID: 54910

4,6-dichloro-5-fluoro-2-methylpyrimidine

$$$$ Data

M. F.

C5H3Cl2FN2

Suppliers	Catalog Number
Matrix Scientific	059863
Bide Pharmatech	BD42540
A&J Pharmtech	AJA-O1661

Database	Data ID
PubChem	13731033

M. W.

180.9951232

CAS

105806-13-1

Similarity

N/A

ID: 54911

4,6-dichloro-5-fluoro-2-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5Cl2F4N2

Suppliers	Catalog Number
Matrix Scientific	059864

Database	Data ID
PubChem	13388997

M. W.

234.9665128

CAS

Similarity

N/A

ID: 54912

4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

$$$$ Data

M. F.

C7H3ClN4

Suppliers	Catalog Number
Matrix Scientific	059866
Bide Pharmatech	BD159068

Database	Data ID
PubChem	22484542

M. W.

178.57852

CAS

24391-41-1

Similarity

N/A

ID: 54913

6-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

$$$$ Data

M. F.

C6H3BrClN3

Suppliers	Catalog Number
Matrix Scientific	059868

Database	Data ID
PubChem	45789827

M. W.

232.46512

CAS

784150-41-0

Similarity

N/A

ID: 54914

ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

$$$$ Data

M. F.

C9H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	059869
Bide Pharmatech	BD58987

Database	Data ID
PubChem	21262606

M. W.

225.63172

CAS

187725-00-4

Similarity

N/A

ID: 54915

ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C9H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	059870

Database	Data ID
PubChem	52987614

M. W.

225.63172

CAS

853058-42-1

Similarity

N/A

ID: 54916

4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

$$$$ Data

M. F.

C7H3ClN4

Suppliers	Catalog Number
Matrix Scientific	059871

Database	Data ID
PubChem	56773429

M. W.

178.57852

CAS

Similarity

N/A

ID: 54917

4-chloro-7-fluoro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H3ClFN3

Suppliers	Catalog Number
Matrix Scientific	059872

Database	Data ID
PubChem	56773430

M. W.

171.5595232

CAS

Similarity

N/A

ID: 54918

4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

$$$$ Data

M. F.

C7H4ClN3O

Suppliers	Catalog Number
Matrix Scientific	059873

Database	Data ID
PubChem	56773431

M. W.

181.57916

CAS

Similarity

N/A

ID: 54919

6-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H3BrClN3

Suppliers	Catalog Number
Matrix Scientific	059874

Database	Data ID
PubChem	54758852

M. W.

232.46512

CAS

1211536-93-4

Similarity

N/A

ID: 54920

2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H3Cl2N3

Suppliers	Catalog Number
Matrix Scientific	059875
Bide Pharmatech	BD29284

Database	Data ID
PubChem	5375053

M. W.

188.01412

CAS

63200-54-4

Similarity

N/A

ID: 54921

7-bromo-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2BrCl2N3

Suppliers	Catalog Number
Matrix Scientific	059876

Database	Data ID
PubChem	56773432

M. W.

266.91018

CAS

Similarity

N/A

ID: 54922

6-bromo-2,4-dichloro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2BrCl2N3

Suppliers	Catalog Number
Matrix Scientific	059877

Database	Data ID
PubChem	56773433

M. W.

266.91018

CAS

Similarity

N/A

ID: 54923

4-chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Matrix Scientific	059878

Database	Data ID
PubChem	27281435

M. W.

168.5837

CAS

943736-58-1

Similarity

N/A

ID: 54924

7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

$$$$ Data

M. F.

C6H4BrClN4

Suppliers	Catalog Number
Matrix Scientific	059879

Database	Data ID
PubChem	56773434

M. W.

247.47976

CAS

Similarity

N/A

ID: 54925

6-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidin-2-amine

$$$$ Data

M. F.

C6H4BrClN4

Suppliers	Catalog Number
Matrix Scientific	059880

Database	Data ID
PubChem	56773435

M. W.

247.47976

CAS

Similarity

N/A

ID: 54926

2,4-dichlorothieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2Cl2N2S

Suppliers	Catalog Number
Matrix Scientific	059881
Key Organics	SS-4343
Bide Pharmatech	BD25036

Database	Data ID
PubChem	12712832

M. W.

205.06448

CAS

16234-14-3

Similarity

N/A

ID: 54927

7-bromo-2,4-dichlorothieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C6HBrCl2N2S

Suppliers	Catalog Number
Matrix Scientific	059882

Database	Data ID
PubChem	18326422

M. W.

283.96054

CAS

41102-25-4

Similarity

N/A

ID: 54928

6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C6HBrCl2N2S

Suppliers	Catalog Number
Matrix Scientific	059883

Database	Data ID
PubChem	56773436

M. W.

283.96054

CAS

Similarity

N/A

ID: 54929

4-chlorothieno[3,2-d]pyrimidine

$$$$ Data More

M. F.

C6H3ClN2S

Suppliers	Catalog Number
Matrix Scientific	059884
Maybridge	GK00377
Apollo Scientific	OR3102

Database	Data ID
PubChem	2735821

M. W.

170.61942

CAS

16269-66-2

Similarity

N/A

ID: 54930

7-bromo-4-chlorothieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2BrClN2S

Suppliers	Catalog Number
Matrix Scientific	059885
Bide Pharmatech	BD28332

Database	Data ID
PubChem	16655266

M. W.

249.51548

CAS

31169-27-4

Similarity

N/A

ID: 54931

6-bromo-4-chlorothieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2BrClN2S

Suppliers	Catalog Number
Matrix Scientific	059886
Bide Pharmatech	BD159207

Database	Data ID
PubChem	18382796

M. W.

249.51548

CAS

225385-03-5

Similarity

N/A

ID: 54932

4-chlorofuro[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H3ClN2O

Suppliers	Catalog Number
Matrix Scientific	059887
Bide Pharmatech	BD161366

Database	Data ID
PubChem	17965852

M. W.

154.55382

CAS

655255-09-7

Similarity

N/A

ID: 54933

7-bromo-4-chlorofuro[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2BrClN2O

Suppliers	Catalog Number
Matrix Scientific	059888

Database	Data ID
PubChem	52987790

M. W.

233.44988

CAS

Similarity

N/A

ID: 54934

4-chloro-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data More

M. F.

C5H3ClN4

Suppliers	Catalog Number
Matrix Scientific	059889
Key Organics	MF-0708
Apollo Scientific	OR6423

Database	Data ID
PubChem	221095

M. W.

154.55712

CAS

5399-92-8

Similarity

N/A

ID: 54935

3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine

$$$$ Data More

M. F.

C5H2BrClN4

Suppliers	Catalog Number
Matrix Scientific	059890
Key Organics	MF-0733
Chemik	CHH06013

Database	Data ID
PubChem	340228

M. W.

233.45318

CAS

13139-17-8

Similarity

N/A

ID: 54936

ethyl 3-amino-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Matrix Scientific	059891
Bide Pharmatech	BD158802
A&J Pharmtech	AJA-O28664

Database	Data ID
PubChem	2773439

M. W.

154.1665

CAS

252932-48-2

Similarity

N/A

ID: 54937

4-ethyl 2-methyl 3-amino-1H-pyrrole-2,4-dicarboxylate

$$$$ Data

M. F.

C9H12N2O4

Suppliers	Catalog Number
Matrix Scientific	059892

Database	Data ID
PubChem	56773437

M. W.

212.20258

CAS

853058-40-9

Similarity

N/A

ID: 54938

1,3-dimethyl 2-fluoropropanedioate

$$$$ Data More

M. F.

C5H7FO4

Suppliers	Catalog Number
Alfa Aesar	L16751
Matrix Scientific	059893
Apollo Scientific	PC3013

Database	Data ID
PubChem	2737111

M. W.

150.1050832

CAS

344-14-9

Similarity

N/A

ID: 54939

4-amino-3,5-dichlorobenzonitrile

$$$$ Data More

M. F.

C7H4Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	642797
Alfa Aesar	A11269
Matrix Scientific	059898

Database	Data ID
PubChem	522706

M. W.

187.02606

CAS

78473-00-4

Similarity

N/A

ID: 54940

4-chloro-6-methylpyrimidin-2-amine

$$$$ Data More

M. F.

C5H6ClN3

Suppliers	Catalog Number
Sigma Aldrich	122882
MP Biomedicals	05214439
Alfa Aesar	L06896

Database	Data ID
PubChem	21810

M. W.

143.57424

CAS

5600-21-5

Similarity

N/A

ID: 54941

tert-butyl 3-aminoazetidine-1-carboxylate

$$$$ Data More

M. F.

C8H16N2O2

Suppliers	Catalog Number
Alfa Aesar	H28218
Matrix Scientific	059912
Apollo Scientific	OR6152

Database	Data ID
PubChem	1516507

M. W.

172.22484

CAS

193269-78-2

Similarity

N/A

ID: 54942

3-fluoroazetidine hydrochloride

$$$$ Data More

M. F.

C3H7ClFN

Suppliers	Catalog Number
Matrix Scientific	059913
Apollo Scientific	PC8943
TRC	F588150

Database	Data ID
PubChem	10125054

M. W.

111.5457832

CAS

617718-46-4

Similarity

N/A

ID: 54943

tert-butyl N-(azetidin-3-yl)carbamate

$$$$ Data More

M. F.

C8H16N2O2

Suppliers	Catalog Number
Matrix Scientific	059914
Apollo Scientific	OR6153
Bide Pharmatech	BD23095

Database	Data ID
PubChem	1519405

M. W.

172.22484

CAS

91188-13-5

Similarity

N/A

ID: 54944

tert-butyl N-(azetidin-3-yl)carbamate hydrochloride

$$$$ Data

M. F.

C8H17ClN2O2

Suppliers	Catalog Number
Matrix Scientific	059915
Enamine	EN300-118391

Database	Data ID
PubChem	22101213

M. W.

208.68578

CAS

217806-26-3

Similarity

N/A

ID: 54945

azetidin-3-amine dihydrochloride

$$$$ Data

M. F.

C3H10Cl2N2

Suppliers	Catalog Number
Matrix Scientific	059916
Bide Pharmatech	BD217212

Database	Data ID
PubChem	13491919

M. W.

145.0309

CAS

102065-86-1

Similarity

N/A

ID: 54946

tert-butyl 3-(methylamino)azetidine-1-carboxylate hydrochloride

$$$$ Data

M. F.

C9H19ClN2O2

Suppliers	Catalog Number
Matrix Scientific	059917

Database	Data ID
PubChem	46738175

M. W.

222.71236

CAS

454703-20-9

Similarity

N/A

ID: 54947

tert-butyl N-(azetidin-3-yl)-N-methylcarbamate hydrochloride

$$$$ Data

M. F.

C9H19ClN2O2

Suppliers	Catalog Number
Matrix Scientific	059918
Bide Pharmatech	BD218689

Database	Data ID
PubChem	53486267

M. W.

222.71236

CAS

943060-59-1

Similarity

N/A

ID: 54948

1-(diphenylmethyl)azetidin-3-yl methanesulfonate

$$$$ Data More

M. F.

C17H19NO3S

Suppliers	Catalog Number
Matrix Scientific	059919
InterBioScreen	BB_SC-3385
TRC	B196875

Database	Data ID
PubChem	2758716

M. W.

317.40266

CAS

33301-41-6

Similarity

N/A

ID: 54949

tert-butyl 3-(aminomethyl)azetidine-1-carboxylate

$$$$ Data More

M. F.

C9H18N2O2

Suppliers	Catalog Number
Alfa Aesar	H57951 H29152
Matrix Scientific	059920
Apollo Scientific	OR2248

Database	Data ID
PubChem	10679125

M. W.

186.25142

CAS

325775-44-8

Similarity

N/A

ID: 54950

1-{[(9H-fluoren-9-yl)methoxy]carbonyl}azetidine-3-carboxylic acid

$$$$ Data More

M. F.

C19H17NO4

Suppliers	Catalog Number
Sigma Aldrich	00398
Matrix Scientific	059921
Apollo Scientific	OR14686

Database	Data ID
PubChem	2756148

M. W.

323.34258

CAS

193693-64-0

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