Chembase list of 866358 unique molecular structures

methyl imidazo[1,2-a]pyrimidine-6-carboxylate

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Apollo Scientific	OR41140

Database	Data ID
PubChem	45356731

M. W.

177.16008

CAS

944906-58-5

Similarity

N/A

ID: 88652

2-{imidazo[1,2-a]pyrimidin-6-yl}pyridine

$$$$ Data

M. F.

C11H8N4

Suppliers	Catalog Number
Apollo Scientific	OR41141

Database	Data ID
PubChem	45073320

M. W.

196.20802

CAS

1027511-31-4

Similarity

N/A

ID: 88653

ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate

$$$$ Data

M. F.

C9H8BrN3O2

Suppliers	Catalog Number
Alfa Aesar	H33992
Apollo Scientific	OR41143
Enamine	EN300-80515

Database	Data ID
PubChem	45073325

M. W.

270.08272

CAS

1027511-41-6

Similarity

N/A

ID: 88654

{3-[(4-cyanophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H11BN2O3

Suppliers	Catalog Number
Alfa Aesar	H53145
Apollo Scientific	OR4115
A&J Pharmtech	AJA-O29625

Database	Data ID
PubChem	44119548

M. W.

266.05974

CAS

850567-36-1

Similarity

N/A

ID: 88655

[4-(benzylsulfamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H14BNO4S

Suppliers	Catalog Number
Alfa Aesar	H53105
Apollo Scientific	OR4116
A&J Pharmtech	AJA-O29590

Database	Data ID
PubChem	22047905

M. W.

291.13056

CAS

548769-96-6

Similarity

N/A

ID: 88656

tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

$$$$ Data

M. F.

C17H25BO4

Suppliers	Catalog Number
Apollo Scientific	OR4118
Bide Pharmatech	BD237841
A&J Pharmtech	AJA-O32825

Database	Data ID
PubChem	4376766

M. W.

304.189

CAS

850568-72-8

Similarity

N/A

ID: 88657

dimethyl (pyridin-3-yl)boronate

$$$$ Data

M. F.

C7H10BNO2

Suppliers	Catalog Number
Apollo Scientific	OR4120

Database	Data ID
PubChem	2737238

M. W.

150.9708

CAS

Similarity

N/A

ID: 88658

3-butyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

$$$$ Data

M. F.

C17H27BN2O3

Suppliers	Catalog Number
Apollo Scientific	OR4122

Database	Data ID
PubChem	44119411

M. W.

318.21888

CAS

850567-59-8

Similarity

N/A

ID: 88659

[4-(thiomorpholine-4-sulfonyl)phenyl]boronic acid

$$$$ Data More

M. F.

C10H14BNO4S2

Suppliers	Catalog Number
Alfa Aesar	H52907
Apollo Scientific	OR4124
Bide Pharmatech	BD221152

Database	Data ID
PubChem	44119549

M. W.

287.16346

CAS

871329-69-0

Similarity

N/A

ID: 88660

{4-[(2-methoxyethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C10H14BNO4

Suppliers	Catalog Number
Apollo Scientific	OR4125
A&J Pharmtech	AJA-O32021

Database	Data ID
PubChem	44119550

M. W.

223.03346

CAS

850589-34-3

Similarity

N/A

ID: 88661

[4-(1,3-thiazolidine-3-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H12BNO3S

Suppliers	Catalog Number
Alfa Aesar	H52903
Apollo Scientific	OR4126

Database	Data ID
PubChem	44119551

M. W.

237.08318

CAS

850589-33-2

Similarity

N/A

ID: 88662

{4-[(propan-2-yl)sulfamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H14BNO4S

Suppliers	Catalog Number
Alfa Aesar	H53029
Apollo Scientific	OR4127
A&J Pharmtech	AJA-O29006

Database	Data ID
PubChem	44119552

M. W.

243.08776

CAS

1228152-57-5

Similarity

N/A

ID: 88663

2-(morpholin-4-yl)benzonitrile

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Apollo Scientific	OR4129
Enamine	EN300-59825

Database	Data ID
PubChem	2737012

M. W.

188.22578

CAS

Similarity

N/A

ID: 88664

[4-(butylsulfamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H16BNO4S

Suppliers	Catalog Number
Alfa Aesar	H53218
Apollo Scientific	OR4130

Database	Data ID
PubChem	44119412

M. W.

257.11434

CAS

850589-32-1

Similarity

N/A

ID: 88665

[4-(cyclohexylsulfamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C12H18BNO4S

Suppliers	Catalog Number
Alfa Aesar	H52703
Apollo Scientific	OR4131

Database	Data ID
PubChem	44119413

M. W.

283.15162

CAS

871329-66-7

Similarity

N/A

ID: 88666

[4-(ethylsulfamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H12BNO4S

Suppliers	Catalog Number
Alfa Aesar	H52840
Apollo Scientific	OR4132

Database	Data ID
PubChem	44119414

M. W.

229.06118

CAS

871329-65-6

Similarity

N/A

ID: 88667

1-(benzyloxy)-4-isothiocyanatobenzene

$$$$ Data

M. F.

C14H11NOS

Suppliers	Catalog Number
Apollo Scientific	OR4133

Database	Data ID
PubChem	2735503

M. W.

241.30824

CAS

139768-71-1

Similarity

N/A

ID: 88668

2,2-dimethylhexanoic acid

$$$$ Data

M. F.

C8H16O2

Suppliers	Catalog Number
Alfa Aesar	L14664
Apollo Scientific	OR4136

Database	Data ID
PubChem	163217

M. W.

144.21144

CAS

813-72-9

Similarity

N/A

ID: 88669

2,2-dimethylnonanoic acid

$$$$ Data

M. F.

C11H22O2

Suppliers	Catalog Number
Apollo Scientific	OR4137

Database	Data ID
PubChem	2736270

M. W.

186.29118

CAS

14250-75-0

Similarity

N/A

ID: 88670

2-[2-(diphenylphosphanyl)phenyl]phenol

$$$$ Data

M. F.

C24H19OP

Suppliers	Catalog Number
Apollo Scientific	OR4138

Database	Data ID
PubChem	2736327

M. W.

354.380821

CAS

Similarity

N/A

ID: 88671

(4R)-2-[2-(diphenylphosphanyl)phenyl]-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole

$$$$ Data

M. F.

C24H24NOP

Suppliers	Catalog Number
Sigma Aldrich	72575
Apollo Scientific	OR4139

Database	Data ID
PubChem	2734144

M. W.

373.427221

CAS

148461-14-7

Similarity

N/A

ID: 88672

1-(ethanesulfonyl)piperazine

$$$$ Data

M. F.

C6H14N2O2S

Suppliers	Catalog Number
Sigma Aldrich	653306
Apollo Scientific	OR4140
Enamine	EN300-60935

Database	Data ID
PubChem	415294

M. W.

178.25256

CAS

62937-96-6

Similarity

N/A

ID: 88673

2-(phenylsulfanyl)aniline

$$$$ Data

M. F.

C12H11NS

Suppliers	Catalog Number
Sigma Aldrich	07955
Apollo Scientific	OR4141

Database	Data ID
PubChem	365393

M. W.

201.28744

CAS

1134-94-7

Similarity

N/A

ID: 88674

2-(ethylsulfanyl)-5-methylpyrimidin-4-ol

$$$$ Data

M. F.

C7H10N2OS

Suppliers	Catalog Number
Apollo Scientific	OR4142

Database	Data ID
PubChem	598411

M. W.

170.2321

CAS

13480-95-0

Similarity

N/A

ID: 88675

6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde hydrate

$$$$ Data

M. F.

C5H6N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR4143

Database	Data ID
PubChem	17750367

M. W.

174.17774

CAS

16953-64-1

Similarity

N/A

ID: 88676

2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde

$$$$ Data More

M. F.

C5H4N2O3

Suppliers	Catalog Number
Sigma Aldrich	414174
Alfa Aesar	H51098
Apollo Scientific	OR4144

Database	Data ID
PubChem	304590

M. W.

140.09686

CAS

1195-08-0

Similarity

N/A

ID: 88677

2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbaldehyde hydrate

$$$$ Data

M. F.

C5H6N2O4

Suppliers	Catalog Number
Alfa Aesar	H50469
Apollo Scientific	OR4145

Database	Data ID
PubChem	2736500

M. W.

158.11214

CAS

36327-91-0

Similarity

N/A

ID: 88678

5-(hydroxymethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C5H6N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR4148

Database	Data ID
PubChem	2736582

M. W.

158.17834

CAS

93185-31-0

Similarity

N/A

ID: 88679

6-(hydroxymethyl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

$$$$ Data

M. F.

C5H6N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR4149

Database	Data ID
PubChem	2736584

M. W.

158.17834

CAS

Similarity

N/A

ID: 88680

9,10-bis(bromomethyl)anthracene

$$$$ Data

M. F.

C16H12Br2

Suppliers	Catalog Number
Apollo Scientific	OR4150T
TRC	B415000

Database	Data ID
PubChem	609355

M. W.

364.07448

CAS

34373-96-1

Similarity

N/A

ID: 88681

2-(piperazin-1-yl)phenol

$$$$ Data More

M. F.

C10H14N2O

Suppliers	Catalog Number
Sigma Aldrich	675016
Alfa Aesar	B20252
Apollo Scientific	OR4153

Database	Data ID
PubChem	70530

M. W.

178.23096

CAS

1011-17-2

Similarity

N/A

ID: 88682

1-benzyl 3-tert-butyl propanedioate

$$$$ Data

M. F.

C14H18O4

Suppliers	Catalog Number
Alfa Aesar	L15533
Apollo Scientific	OR4154
Bide Pharmatech	BD15538

Database	Data ID
PubChem	2736712

M. W.

250.29032

CAS

72594-86-6

Similarity

N/A

ID: 88683

(2R,3S,4S,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride

$$$$ Data

M. F.

C6H14ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR4155

Database	Data ID
PubChem	71299533

M. W.

215.63206

CAS

5505-63-5

Similarity

N/A

ID: 88684

1-(4-methoxybutyl)piperazine

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Apollo Scientific	OR4157

Database	Data ID
PubChem	2736727

M. W.

172.2679

CAS

Similarity

N/A

ID: 88685

1-(1-methoxypropan-2-yl)piperazine

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Apollo Scientific	OR4158

Database	Data ID
PubChem	2736773

M. W.

158.24132

CAS

Similarity

N/A

ID: 88686

1-(3-methoxypropyl)piperazine

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Apollo Scientific	OR4159

Database	Data ID
PubChem	1822536

M. W.

158.24132

CAS

88708-40-1

Similarity

N/A

ID: 88687

(2R,4S,5S)-5-acetamido-4-hydroxy-2-methoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxa...

$$$$ Data

M. F.

C12H21NO9

Suppliers	Catalog Number
Apollo Scientific	OR4160

Database	Data ID
PubChem	71299535

M. W.

323.29644

CAS

Similarity

N/A

ID: 88688

methyl (2R,4S,5S)-5-acetamido-4-hydroxy-2-methoxy-6-[(1R,2S)-1,2,3-trihydroxypro...

$$$$ Data

M. F.

C13H23NO9

Suppliers	Catalog Number
Apollo Scientific	OR4161

Database	Data ID
PubChem	71299536

M. W.

337.32302

CAS

Similarity

N/A

ID: 88689

(2S,4S,5R)-5-amino-4-hydroxy-2-methoxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2...

$$$$ Data

M. F.

C10H19NO8

Suppliers	Catalog Number
Apollo Scientific	OR4162

Database	Data ID
PubChem	71299537

M. W.

281.25976

CAS

Similarity

N/A

ID: 88690

1-[(1-methylpiperidin-3-yl)methyl]piperazine

$$$$ Data

M. F.

C11H23N3

Suppliers	Catalog Number
Apollo Scientific	OR4163

Database	Data ID
PubChem	2736940

M. W.

197.32042

CAS

496808-03-8

Similarity

N/A

ID: 88691

1-[(1-methylpiperidin-4-yl)methyl]piperazine

$$$$ Data

M. F.

C11H23N3

Suppliers	Catalog Number
Apollo Scientific	OR4164

Database	Data ID
PubChem	2736942

M. W.

197.32042

CAS

496808-04-9

Similarity

N/A

ID: 88692

3-(naphthalen-1-yl)propanoic acid

$$$$ Data More

M. F.

C13H12O2

Suppliers	Catalog Number
Alfa Aesar	H33795
Apollo Scientific	OR4167
InterBioScreen	BB_SC-8703 STOCK1N-75173

Database	Data ID
PubChem	95254

M. W.

200.23318

CAS

3243-42-3

Similarity

N/A

ID: 88693

1-(pentan-2-yl)piperazine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
Apollo Scientific	OR4169

Database	Data ID
PubChem	2737113

M. W.

156.2685

CAS

82499-96-5

Similarity

N/A

ID: 88694

1-(pentan-3-yl)piperazine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
ChemBridge	3020247
Apollo Scientific	OR4170

Database	Data ID
PubChem	2737116

M. W.

156.2685

CAS

373356-51-5

Similarity

N/A

ID: 88695

1-(4-phenylbutyl)piperazine

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Apollo Scientific	OR4171

Database	Data ID
PubChem	2737126

M. W.

218.33788

CAS

97480-93-8

Similarity

N/A

ID: 88696

2-ethylbenzene-1,4-dicarbonitrile

$$$$ Data

M. F.

C10H8N2

Suppliers	Catalog Number
Apollo Scientific	OR4173

Database	Data ID
PubChem	2736098

M. W.

156.18392

CAS

175278-32-7

Similarity

N/A

ID: 88697

7-phenylheptanoic acid

$$$$ Data

M. F.

C13H18O2

Suppliers	Catalog Number
Alfa Aesar	L05009
Apollo Scientific	OR4174

Database	Data ID
PubChem	520987

M. W.

206.28082

CAS

40228-90-8

Similarity

N/A

ID: 88698

6-phenylhexanoic acid

$$$$ Data More

M. F.

C12H16O2

Suppliers	Catalog Number
Sigma Aldrich	333603
Alfa Aesar	A11187
Apollo Scientific	OR4175

Database	Data ID
PubChem	79695

M. W.

192.25424

CAS

5581-75-9

Similarity

N/A

ID: 88699

1-phenylpiperidin-4-ol

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Apollo Scientific	OR4180

Database	Data ID
PubChem	2737154

M. W.

177.2429

CAS

117896-69-2

Similarity

N/A

ID: 88700

1-phenylpiperidin-4-one hydrochloride

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Apollo Scientific	OR4181

Database	Data ID
PubChem	44119528

M. W.

211.68796

CAS

6328-93-4

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