Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H3F4N

Suppliers	Catalog Number
Matrix Scientific	071596

Database	Data ID
PubChem	60623013

M. W.

165.0883328

CAS

Similarity

N/A

ID: 66202

3,6-dichloro-2-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H3Cl2F2N

Suppliers	Catalog Number
Matrix Scientific	071597

Database	Data ID
PubChem	60623015

M. W.

197.9975264

CAS

Similarity

N/A

ID: 66203

3,5-dichloro-2-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H3Cl2F2N

Suppliers	Catalog Number
Matrix Scientific	071598

Database	Data ID
PubChem	60622989

M. W.

197.9975264

CAS

Similarity

N/A

ID: 66204

5-bromo-2-chloro-3-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H3BrClF2N

Suppliers	Catalog Number
Matrix Scientific	071599

Database	Data ID
PubChem	60623016

M. W.

242.4485264

CAS

Similarity

N/A

ID: 66205

2,6-dichloro-3-(difluoromethyl)-5-fluoropyridine

$$$$ Data

M. F.

C6H2Cl2F3N

Suppliers	Catalog Number
Matrix Scientific	071600

Database	Data ID
PubChem	60623017

M. W.

215.9879896

CAS

Similarity

N/A

ID: 66206

2-chloro-3-(difluoromethyl)quinoline

$$$$ Data

M. F.

C10H6ClF2N

Suppliers	Catalog Number
Matrix Scientific	071601

Database	Data ID
PubChem	58336283

M. W.

213.6111464

CAS

Similarity

N/A

ID: 66207

2-bromo-3-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4BrF2N

Suppliers	Catalog Number
Matrix Scientific	071602

Database	Data ID
PubChem	56604203

M. W.

208.0034664

CAS

1211515-00-2

Similarity

N/A

ID: 66208

2-chloro-3-(difluoromethyl)-5-fluoropyridine

$$$$ Data

M. F.

C6H3ClF3N

Suppliers	Catalog Number
Matrix Scientific	071603

Database	Data ID
PubChem	60623018

M. W.

181.5429296

CAS

Similarity

N/A

ID: 66209

5-(difluoromethyl)-2-methylpyridine

$$$$ Data

M. F.

C7H7F2N

Suppliers	Catalog Number
Matrix Scientific	071604

Database	Data ID
PubChem	60623019

M. W.

143.1339864

CAS

Similarity

N/A

ID: 66210

3-bromo-2-chloro-5-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H3BrClF2N

Suppliers	Catalog Number
Matrix Scientific	071605

Database	Data ID
PubChem	23053234

M. W.

242.4485264

CAS

Similarity

N/A

ID: 66211

3-(difluoromethyl)-2,6-difluoropyridine

$$$$ Data

M. F.

C6H3F4N

Suppliers	Catalog Number
Matrix Scientific	071606

Database	Data ID
PubChem	20139558

M. W.

165.0883328

CAS

Similarity

N/A

ID: 66212

2-(difluoromethyl)-6-fluoropyridine

$$$$ Data

M. F.

C6H4F3N

Suppliers	Catalog Number
Matrix Scientific	071608

Database	Data ID
PubChem	18439388

M. W.

147.0978696

CAS

387398-49-4

Similarity

N/A

ID: 66213

2-(difluoromethyl)-3,6-difluoropyridine

$$$$ Data

M. F.

C6H3F4N

Suppliers	Catalog Number
Matrix Scientific	071609

Database	Data ID
PubChem	60622999

M. W.

165.0883328

CAS

Similarity

N/A

ID: 66214

5-chloro-2-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4ClF2N

Suppliers	Catalog Number
Matrix Scientific	071610

Database	Data ID
PubChem	60623000

M. W.

163.5524664

CAS

Similarity

N/A

ID: 66215

2-chloro-3-(difluoromethyl)-6-methylpyridine

$$$$ Data

M. F.

C7H6ClF2N

Suppliers	Catalog Number
Matrix Scientific	071611

Database	Data ID
PubChem	60623008

M. W.

177.5790464

CAS

Similarity

N/A

ID: 66216

4-[2-methoxy-4-(trifluoromethyl)phenyl]pyridine

$$$$ Data

M. F.

C13H10F3NO

Suppliers	Catalog Number
Matrix Scientific	071616

Database	Data ID
PubChem	46317326

M. W.

253.2198096

CAS

1214368-79-2

Similarity

N/A

ID: 66217

2-chloro-5-(trifluoromethyl)pyrimidine

$$$$ Data More

M. F.

C5H2ClF3N2

Suppliers	Catalog Number
Sigma Aldrich	720313
Matrix Scientific	071619
Apollo Scientific	PC5409

Database	Data ID
PubChem	13317019

M. W.

182.5309896

CAS

69034-12-4

Similarity

N/A

ID: 66218

4-[2-chloro-5-(trifluoromethyl)phenyl]pyridine

$$$$ Data

M. F.

C12H7ClF3N

Suppliers	Catalog Number
Matrix Scientific	071620

Database	Data ID
PubChem	46315296

M. W.

257.6388896

CAS

4393-93-5

Similarity

N/A

ID: 66219

2-fluoro-5-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5H2F4N2

Suppliers	Catalog Number
Matrix Scientific	071621

Database	Data ID
PubChem	20071885

M. W.

166.0763928

CAS

1214344-68-9

Similarity

N/A

ID: 66220

2-bromo-5-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5H2BrF3N2

Suppliers	Catalog Number
Matrix Scientific	071622

Database	Data ID
PubChem	20292629

M. W.

226.9819896

CAS

69034-09-9

Similarity

N/A

ID: 66221

5-(trifluoromethyl)pyrimidin-2-ol

$$$$ Data

M. F.

C5H3F3N2O

Suppliers	Catalog Number
Matrix Scientific	071623
A&J Pharmtech	AJA-O20344

Database	Data ID
PubChem	13317027

M. W.

164.0853296

CAS

83767-80-0

Similarity

N/A

ID: 66222

2-methoxy-5-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C6H5F3N2O

Suppliers	Catalog Number
Matrix Scientific	071624

Database	Data ID
PubChem	10866896

M. W.

178.1119096

CAS

176214-14-5

Similarity

N/A

ID: 66223

5-(trifluoromethyl)pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C6H3F3N2O2

Suppliers	Catalog Number
Matrix Scientific	071625
A&J Pharmtech	AJA-O20341

Database	Data ID
PubChem	53404423

M. W.

192.0954296

CAS

944905-44-6

Similarity

N/A

ID: 66224

2-bromo-6-fluoro-4-methylpyridine

$$$$ Data

M. F.

C6H5BrFN

Suppliers	Catalog Number
Matrix Scientific	071626

Database	Data ID
PubChem	29919366

M. W.

190.0130032

CAS

180608-37-1

Similarity

N/A

ID: 66225

4-bromo-3-chloro-2-fluoropyridine

$$$$ Data

M. F.

C5H2BrClFN

Suppliers	Catalog Number
Matrix Scientific	071627

Database	Data ID
PubChem	56604170

M. W.

210.4314832

CAS

1017793-21-3

Similarity

N/A

ID: 66226

2-chloro-3-fluoro-4-iodopyridine

$$$$ Data

M. F.

C5H2ClFIN

Suppliers	Catalog Number
Matrix Scientific	071628
Bide Pharmatech	BD18456

Database	Data ID
PubChem	11065087

M. W.

257.4319532

CAS

148639-07-0

Similarity

N/A

ID: 66227

4-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine

$$$$ Data

M. F.

C12H7F4N

Suppliers	Catalog Number
Matrix Scientific	071629

Database	Data ID
PubChem	46317082

M. W.

241.1842928

CAS

1214383-00-2

Similarity

N/A

ID: 66228

5-fluoropyridine-3-carbonitrile

$$$$ Data

M. F.

C6H3FN2

Suppliers	Catalog Number
Matrix Scientific	071630
Apollo Scientific	PC7108
A&J Pharmtech	AJA-O23722

Database	Data ID
PubChem	22463471

M. W.

122.0998232

CAS

696-42-4

Similarity

N/A

ID: 66229

2-(4-cyclohexylphenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C14H18O3

Suppliers	Catalog Number
Matrix Scientific	071632
Apollo Scientific	OR1576
A&J Pharmtech	AJA-O24210

Database	Data ID
PubChem	44118537

M. W.

234.29092

CAS

99433-89-3

Similarity

N/A

ID: 66230

2,2-dihydroxy-1-(4-phenylphenyl)ethan-1-one

$$$$ Data

M. F.

C14H12O3

Suppliers	Catalog Number
Matrix Scientific	071633
Bide Pharmatech	BD94590

Database	Data ID
PubChem	14364

M. W.

228.24328

CAS

1145-04-6

Similarity

N/A

ID: 66231

2-(naphthalen-2-yl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C12H10O3

Suppliers	Catalog Number
Matrix Scientific	071634
Bide Pharmatech	BD159419

Database	Data ID
PubChem	19261730

M. W.

202.206

CAS

7400-62-6

Similarity

N/A

ID: 66232

2-(4-chlorophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C8H7ClO3

Suppliers	Catalog Number
Matrix Scientific	071635
Apollo Scientific	OR1593
Bide Pharmatech	BD21031

Database	Data ID
PubChem	15556731

M. W.

186.59238

CAS

4996-21-8

Similarity

N/A

ID: 66233

2-(4-bromophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C8H7BrO3

Suppliers	Catalog Number
Matrix Scientific	071636
Apollo Scientific	OR1594
A&J Pharmtech	AJA-O21803

Database	Data ID
PubChem	12329346

M. W.

231.04338

CAS

80352-42-7

Similarity

N/A

ID: 66234

2-(4-methylphenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Matrix Scientific	071637
Apollo Scientific	OR1596
A&J Pharmtech	AJA-O39538 AJA-O7238

Database	Data ID
PubChem	21298530

M. W.

166.1739

CAS

1075-47-4

Similarity

N/A

ID: 66235

2-(4-hydroxyphenyl)-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C8H8O4

Suppliers	Catalog Number
Matrix Scientific	071638
Apollo Scientific	OR1597
Bide Pharmatech	BD27937

Database	Data ID
PubChem	23318533

M. W.

168.14672

CAS

197447-05-5

Similarity

N/A

ID: 66236

2,2-dihydroxy-1-(thiophen-2-yl)ethan-1-one

$$$$ Data

M. F.

C6H6O3S

Suppliers	Catalog Number
Matrix Scientific	071639
Bide Pharmatech	BD78821

Database	Data ID
PubChem	5118146

M. W.

158.17504

CAS

138380-43-5

Similarity

N/A

ID: 66237

2-(4-nitrophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C8H7NO5

Suppliers	Catalog Number
Alfa Aesar	H35009
Matrix Scientific	071640
Apollo Scientific	OR1604

Database	Data ID
PubChem	12329347

M. W.

197.14488

CAS

4974-57-6

Similarity

N/A

ID: 66238

4-(2-oxoacetyl)benzonitrile hydrate

$$$$ Data More

M. F.

C9H7NO3

Suppliers	Catalog Number
Matrix Scientific	071641
Apollo Scientific	OR1605
Bide Pharmatech	BD96657

Database	Data ID
PubChem	21298600

M. W.

177.15678

CAS

19010-28-7

Similarity

N/A

ID: 66239

N-[4-(2-oxoacetyl)phenyl]acetamide hydrate

$$$$ Data More

M. F.

C10H11NO4

Suppliers	Catalog Number
Matrix Scientific	071642
Apollo Scientific	OR1607
Bide Pharmatech	BD93368

Database	Data ID
PubChem	44118539

M. W.

209.19864

CAS

16267-10-0

Similarity

N/A

ID: 66240

hydrate methyl 2-hydroxy-5-(2-oxoacetyl)benzoate

$$$$ Data More

M. F.

C10H10O6

Suppliers	Catalog Number
Matrix Scientific	071643
Apollo Scientific	OR1608
Bide Pharmatech	BD85495

Database	Data ID
PubChem	44118540

M. W.

226.1828

CAS

29754-58-3

Similarity

N/A

ID: 66241

2-oxo-2-(2,4,6-trimethylphenyl)acetaldehyde hydrate

$$$$ Data More

M. F.

C11H14O3

Suppliers	Catalog Number
Matrix Scientific	071644
Apollo Scientific	OR1610
Bide Pharmatech	BD66346

Database	Data ID
PubChem	44118758

M. W.

194.22706

CAS

142751-35-7

Similarity

N/A

ID: 66242

2-[3,5-bis(benzyloxy)phenyl]-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C22H20O5

Suppliers	Catalog Number
Matrix Scientific	071645
Apollo Scientific	OR1611
Bide Pharmatech	BD82383

Database	Data ID
PubChem	44118541

M. W.

364.3912

CAS

59229-14-0

Similarity

N/A

ID: 66243

2,2-dihydroxy-1-[4-(piperidin-1-yl)phenyl]ethan-1-one

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Matrix Scientific	071646

Database	Data ID
PubChem	13326877

M. W.

235.27898

CAS

93290-93-8

Similarity

N/A

ID: 66244

2-oxo-2-(4-phenoxyphenyl)acetaldehyde hydrate

$$$$ Data More

M. F.

C14H12O4

Suppliers	Catalog Number
Matrix Scientific	071647
Apollo Scientific	OR1615
Bide Pharmatech	BD99893

Database	Data ID
PubChem	21158021

M. W.

244.24268

CAS

92254-55-2

Similarity

N/A

ID: 66245

2-(6-methoxynaphthalen-1-yl)-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C13H12O4

Suppliers	Catalog Number
Matrix Scientific	071648
Apollo Scientific	OR1618
Bide Pharmatech	BD159420

Database	Data ID
PubChem	44118759

M. W.

232.23198

CAS

1172293-10-5

Similarity

N/A

ID: 66246

2-(4-ethylphenyl)-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C10H12O3

Suppliers	Catalog Number
Matrix Scientific	071649
Apollo Scientific	OR1619
Bide Pharmatech	BD159421

Database	Data ID
PubChem	44118760

M. W.

180.20048

CAS

1171381-90-0

Similarity

N/A

ID: 66247

2-(1-benzofuran-2-yl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C10H8O4

Suppliers	Catalog Number
Matrix Scientific	071650
Apollo Scientific	OR1620
Bide Pharmatech	BD12767

Database	Data ID
PubChem	44118544

M. W.

192.16812

CAS

131922-15-1

Similarity

N/A

ID: 66248

2-(1-benzothiophen-2-yl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C10H8O3S

Suppliers	Catalog Number
Matrix Scientific	071651
Apollo Scientific	OR1622
Bide Pharmatech	BD159422

Database	Data ID
PubChem	44118545

M. W.

208.23372

CAS

1172075-67-0

Similarity

N/A

ID: 66249

1-(5-bromothiophen-2-yl)-2,2-dihydroxyethan-1-one

$$$$ Data

M. F.

C6H5BrO3S

Suppliers	Catalog Number
Matrix Scientific	071652

Database	Data ID
PubChem	52911197

M. W.

237.0711

CAS

852619-28-4

Similarity

N/A

ID: 66250

2-(3-bromophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
Matrix Scientific	071653
Apollo Scientific	OR1624
Bide Pharmatech	BD85385

Database	Data ID
PubChem	14074940

M. W.

231.04338

CAS

106134-16-1

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