Chembase list of 866358 unique molecular structures

6-chloro-4-(methylsulfanyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(...

$$$$ Data

M. F.

C10H6ClN3OS

Suppliers	Catalog Number
Matrix Scientific	054376

Database	Data ID
PubChem	45588475

M. W.

251.69214

CAS

Similarity

N/A

ID: 50852

2-bromo-1-fluoro-3-nitrobenzene

$$$$ Data

M. F.

C6H3BrFNO2

Suppliers	Catalog Number
Matrix Scientific	054377
Apollo Scientific	PC5083
A&J Pharmtech	AJA-O5942

Database	Data ID
PubChem	18373474

M. W.

219.9959232

CAS

59255-94-6

Similarity

N/A

ID: 50853

1-bromo-3-fluoro-2-nitrobenzene

$$$$ Data More

M. F.

C6H3BrFNO2

Suppliers	Catalog Number
Matrix Scientific	054378
Apollo Scientific	PC9918
Bide Pharmatech	BD35325

Database	Data ID
PubChem	2783152

M. W.

219.9959232

CAS

886762-70-5

Similarity

N/A

ID: 50854

1-bromo-2-fluoro-3-nitrobenzene

$$$$ Data More

M. F.

C6H3BrFNO2

Suppliers	Catalog Number
Matrix Scientific	054379
Apollo Scientific	PC9945
Bide Pharmatech	BD84937

Database	Data ID
PubChem	40427446

M. W.

219.9959232

CAS

58534-94-4

Similarity

N/A

ID: 50855

1-bromo-3-fluoro-5-methylbenzene

$$$$ Data More

M. F.

C7H6BrF

Suppliers	Catalog Number
Matrix Scientific	054380
Apollo Scientific	PC7412
Chemik	CHB55071

Database	Data ID
PubChem	2773396

M. W.

189.0249432

CAS

202865-83-6

Similarity

N/A

ID: 50856

5-fluoropyridine-2-carbonitrile

$$$$ Data More

M. F.

C6H3FN2

Suppliers	Catalog Number
Sigma Aldrich	703982
Alfa Aesar	H25956
Matrix Scientific	054381

Database	Data ID
PubChem	11332453

M. W.

122.0998232

CAS

327056-62-2

Similarity

N/A

ID: 50857

3-chloro-5-(trifluoromethyl)aniline

$$$$ Data More

M. F.

C7H5ClF3N

Suppliers	Catalog Number
Alfa Aesar	H26317
Matrix Scientific	054382
Apollo Scientific	PC1984

Database	Data ID
PubChem	3017933

M. W.

195.5695096

CAS

69411-05-8

Similarity

N/A

ID: 50858

3-bromopyridin-4-amine

$$$$ Data More

M. F.

C5H5BrN2

Suppliers	Catalog Number
Sigma Aldrich	685224
Alfa Aesar	L19521
Matrix Scientific	054383

Database	Data ID
PubChem	26095

M. W.

173.0106

CAS

13534-98-0

Similarity

N/A

ID: 50859

1-bromo-3-nitro-5-(trifluoromethyl)benzene

$$$$ Data More

M. F.

C7H3BrF3NO2

Suppliers	Catalog Number
Alfa Aesar	H26171
Matrix Scientific	054384
Apollo Scientific	PC9862

Database	Data ID
PubChem	7015411

M. W.

270.0034296

CAS

630125-49-4

Similarity

N/A

ID: 50860

4,5-difluoro-2-methylaniline

$$$$ Data

M. F.

C7H7F2N

Suppliers	Catalog Number
Alfa Aesar	H26142
Matrix Scientific	054385

Database	Data ID
PubChem	18727725

M. W.

143.1339864

CAS

875664-57-6

Similarity

N/A

ID: 50861

4-chloro-2,5-difluoropyridine

$$$$ Data

M. F.

C5H2ClF2N

Suppliers	Catalog Number
Matrix Scientific	054387

Database	Data ID
PubChem	11147812

M. W.

149.5258864

CAS

851386-40-8

Similarity

N/A

ID: 50862

4-chloro-2,5-difluoropyridine-3-carboxylic acid

$$$$ Data

M. F.

C6H2ClF2NO2

Suppliers	Catalog Number
Matrix Scientific	054388

Database	Data ID
PubChem	11310064

M. W.

193.5353864

CAS

Similarity

N/A

ID: 50863

3-bromo-2-chloropyridine-4-carboxylic acid

$$$$ Data

M. F.

C6H3BrClNO2

Suppliers	Catalog Number
Matrix Scientific	054389

Database	Data ID
PubChem	52911241

M. W.

236.45052

CAS

1214323-32-6

Similarity

N/A

ID: 50864

2-chloro-3-iodo-4-methylpyridine

$$$$ Data

M. F.

C6H5ClIN

Suppliers	Catalog Number
Matrix Scientific	054390

Database	Data ID
PubChem	45108207

M. W.

253.46807

CAS

926922-28-3

Similarity

N/A

ID: 50865

1-bromo-4-(1,1-difluoroethyl)benzene

$$$$ Data

M. F.

C8H7BrF2

Suppliers	Catalog Number
Sigma Aldrich	729949
Matrix Scientific	054391

Database	Data ID
PubChem	45158847

M. W.

221.0419864

CAS

1000994-95-5

Similarity

N/A

ID: 50866

2-bromo-1-fluoro-3-methylbenzene

$$$$ Data

M. F.

C7H6BrF

Suppliers	Catalog Number
Matrix Scientific	054392
Apollo Scientific	PC1362

Database	Data ID
PubChem	108856

M. W.

189.0249432

CAS

59907-13-0

Similarity

N/A

ID: 50867

2-bromo-3,5,6-trifluoropyridine

$$$$ Data

M. F.

C5HBrF3N

Suppliers	Catalog Number
Matrix Scientific	054393

Database	Data ID
PubChem	45790725

M. W.

211.9673496

CAS

1186194-66-0

Similarity

N/A

ID: 50868

4-chloro-3-methoxybenzaldehyde

$$$$ Data More

M. F.

C8H7ClO2

Suppliers	Catalog Number
Matrix Scientific	054394
Chemik	CHB18550
Bide Pharmatech	BD216281

Database	Data ID
PubChem	12909725

M. W.

170.59298

CAS

13726-16-4

Similarity

N/A

ID: 50869

3-aminopyridin-4-ol

$$$$ Data More

M. F.

C5H6N2O

Suppliers	Catalog Number
Alfa Aesar	H27205
Matrix Scientific	054395
Apollo Scientific	OR3719

Database	Data ID
PubChem	233392

M. W.

110.11394

CAS

6320-39-4

Similarity

N/A

ID: 50870

quinoline-5-carbaldehyde

$$$$ Data More

M. F.

C10H7NO

Suppliers	Catalog Number
ChemBridge	4300479
Alfa Aesar	L19641
Matrix Scientific	054396

Database	Data ID
PubChem	3543386

M. W.

157.16868

CAS

22934-41-4

Similarity

N/A

ID: 50871

5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrim...

$$$$ Data

M. F.

C15H12F3N3O4

Suppliers	Catalog Number
Matrix Scientific	054398

Database	Data ID
PubChem	5347697

M. W.

355.2686896

CAS

Similarity

N/A

ID: 50872

4-hydroxy-N-{2-[(2-hydroxyethyl)amino]ethyl}-2-oxo-1-azatricyclo[7.3.1.0^{5,13}]...

$$$$ Data

M. F.

C17H22ClN3O4

Suppliers	Catalog Number
Matrix Scientific	054400
InterBioScreen	STOCK1N-25440

Database	Data ID
PubChem	54686758

M. W.

367.82728

CAS

Similarity

N/A

ID: 50873

5-(2H-1,3-benzodioxol-5-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrim...

$$$$ Data

M. F.

C15H12F3N3O4

Suppliers	Catalog Number
Matrix Scientific	054401

Database	Data ID
PubChem	5347965

M. W.

355.2686896

CAS

Similarity

N/A

ID: 50874

(4,6-dimethylpyrimidin-2-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C7H13Cl2N3

Suppliers	Catalog Number
Matrix Scientific	054402

Database	Data ID
PubChem	45595255

M. W.

210.10422

CAS

Similarity

N/A

ID: 50875

2-methyl-1,3-benzothiazol-6-amine dihydrochloride

$$$$ Data

M. F.

C8H10Cl2N2S

Suppliers	Catalog Number
Matrix Scientific	054403

Database	Data ID
PubChem	46741354

M. W.

237.1494

CAS

Similarity

N/A

ID: 50876

1-[(5-amino-2-methoxyphenyl)methyl]pyrrolidin-2-one

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
Matrix Scientific	054404

Database	Data ID
PubChem	25219460

M. W.

220.26764

CAS

Similarity

N/A

ID: 50877

azetidine

$$$$ Data More

M. F.

C3H7N

Suppliers	Catalog Number
Sigma Aldrich	281069 92457
Matrix Scientific	054405
Apollo Scientific	OR59419

Database	Data ID
Wikipedia	Azetidine
PubChem	10422

M. W.

57.09438

CAS

503-29-7

Similarity

N/A

ID: 50878

2-(2-methoxyphenyl)pyrrolidine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
ChemBridge	4002377
Matrix Scientific	054406
Enamine	EN300-67441

Database	Data ID
PubChem	3613985

M. W.

177.2429

CAS

103857-96-1

Similarity

N/A

ID: 50879

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Matrix Scientific	054407

Database	Data ID
PubChem	892459

M. W.

230.26246

CAS

Similarity

N/A

ID: 50880

1-ethylpiperidine-4-carboxylic acid

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
ChemBridge	4002076
Matrix Scientific	054408

Database	Data ID
PubChem	18783773

M. W.

157.2102

CAS

90204-94-7

Similarity

N/A

ID: 50881

1,3-benzothiazol-5-amine

$$$$ Data More

M. F.

C7H6N2S

Suppliers	Catalog Number
ChemBridge	4003348
Matrix Scientific	054409
Maybridge	MO07036

Database	Data ID
PubChem	70749

M. W.

150.20094

CAS

1123-93-9

Similarity

N/A

ID: 50882

oxan-2-ylmethanamine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4003524
Matrix Scientific	054410
Enamine	EN300-50951

Database	Data ID
PubChem	97924

M. W.

115.17352

CAS

6628-83-7

Similarity

N/A

ID: 50883

(3-methyloxetan-3-yl)methanamine

$$$$ Data More

M. F.

C5H11NO

Suppliers	Catalog Number
ChemBridge	4003584
Matrix Scientific	054411
Enamine	EN300-75686

Database	Data ID
PubChem	15789550

M. W.

101.14694

CAS

153209-97-3

Similarity

N/A

ID: 50884

3-(piperazin-1-yl)-1$l^{6}-thiolane-1,1-dione

$$$$ Data

M. F.

C8H16N2O2S

Suppliers	Catalog Number
ChemBridge	4003972
Matrix Scientific	054412
InterBioScreen	BB_SC-5031

Database	Data ID
PubChem	4962357

M. W.

204.28984

CAS

110469-63-1

Similarity

N/A

ID: 50885

2-(1,3-thiazol-2-yl)ethan-1-amine

$$$$ Data More

M. F.

C5H8N2S

Suppliers	Catalog Number
ChemBridge	4100726
Matrix Scientific	054413
Life Chemicals	F2150-0024

Database	Data ID
PubChem	87653

M. W.

128.19542

CAS

18453-07-1

Similarity

N/A

ID: 50886

{2-amino-1-[4-(trifluoromethyl)phenyl]ethyl}dimethylamine

$$$$ Data

M. F.

C11H15F3N2

Suppliers	Catalog Number
Matrix Scientific	054414

Database	Data ID
PubChem	3752203

M. W.

232.2454096

CAS

Similarity

N/A

ID: 50887

2-(1H-imidazol-1-yl)ethan-1-amine dihydrochloride

$$$$ Data More

M. F.

C5H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	054415
Apollo Scientific	OR1390
Bide Pharmatech	BD25244

Database	Data ID
PubChem	12377913

M. W.

184.06694

CAS

93668-43-0

Similarity

N/A

ID: 50888

2-[methyl(6-methylpyridazin-3-yl)amino]acetic acid

$$$$ Data

M. F.

C8H11N3O2

Suppliers	Catalog Number
Matrix Scientific	054416

Database	Data ID
PubChem	45917938

M. W.

181.19184

CAS

Similarity

N/A

ID: 50889

4-(1H-pyrazol-4-yl)butanoic acid

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00132
ChemBridge	4002951
Matrix Scientific	054417

Database	Data ID
PubChem	28063221

M. W.

154.1665

CAS

84302-87-4

Similarity

N/A

ID: 50890

2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid

$$$$ Data More

M. F.

C10H9NO4

Suppliers	Catalog Number
Sigma Aldrich	630713
Matrix Scientific	054418
InterBioScreen	BB_SC-7559

Database	Data ID
PubChem	2783999

M. W.

207.18276

CAS

106660-11-1

Similarity

N/A

ID: 50891

[1-(2-phenylethyl)piperidin-3-yl]methanamine dihydrochloride

$$$$ Data

M. F.

C14H24Cl2N2

Suppliers	Catalog Number
Matrix Scientific	054419

Database	Data ID
PubChem	56832291

M. W.

291.25976

CAS

Similarity

N/A

ID: 50892

2-[4-(morpholin-4-yl)phenyl]ethan-1-amine

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	054420

Database	Data ID
PubChem	23009596

M. W.

206.28412

CAS

Similarity

N/A

ID: 50893

2-[4-(piperidin-1-yl)phenyl]ethan-1-amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	054421
Enamine	EN300-40983

Database	Data ID
PubChem	217327

M. W.

204.3113

CAS

38589-09-2

Similarity

N/A

ID: 50894

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C5H10ClN3O

Suppliers	Catalog Number
Matrix Scientific	054422
Enamine	EN300-60112

Database	Data ID
PubChem	47002538

M. W.

163.6054

CAS

Similarity

N/A

ID: 50895

(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine

$$$$ Data

M. F.

C5H9N3O

Suppliers	Catalog Number
ChemBridge	4013191
Matrix Scientific	054423

Database	Data ID
PubChem	17604983

M. W.

127.14446

CAS

889939-69-9

Similarity

N/A

ID: 50896

2-(4-carbamoylpiperidin-1-yl)acetic acid

$$$$ Data

M. F.

C8H14N2O3

Suppliers	Catalog Number
ChemBridge	4013613
Matrix Scientific	054424

Database	Data ID
PubChem	3159669

M. W.

186.20836

CAS

40479-21-8

Similarity

N/A

ID: 50897

4-ethyl-3-(4-fluorophenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H12FN3

Suppliers	Catalog Number
Matrix Scientific	054425

Database	Data ID
PubChem	28283185

M. W.

205.2314832

CAS

Similarity

N/A

ID: 50898

(1-methylpiperidin-3-yl)methanamine

$$$$ Data More

M. F.

C7H16N2

Suppliers	Catalog Number
ChemBridge	4103006
Matrix Scientific	054426
Maybridge	CC66113

Database	Data ID
PubChem	13675353

M. W.

128.21534

CAS

14613-37-7

Similarity

N/A

ID: 50899

1-methanesulfonylpiperidin-4-amine hydrochloride

$$$$ Data More

M. F.

C6H15ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	054427
Enamine	EN300-26205
Bide Pharmatech	BD51748

Database	Data ID
PubChem	17221636

M. W.

214.7135

CAS

651057-01-1

Similarity

N/A

ID: 50900

2-(4-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Matrix Scientific	054428

Database	Data ID
PubChem	651661

M. W.

167.16196

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