Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H6O4S

Suppliers	Catalog Number
Apollo Scientific	OR6675

Database	Data ID
PubChem	11451

M. W.

174.17444

CAS

585-38-6

Similarity

N/A

ID: 91152

2-[(4-nitrophenyl)sulfanyl]aniline

$$$$ Data

M. F.

C12H10N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR6676

Database	Data ID
PubChem	2735381

M. W.

246.285

CAS

Similarity

N/A

ID: 91153

1-N-phenylbenzene-1,4-diamine

$$$$ Data More

M. F.

C12H12N2

Suppliers	Catalog Number
Sigma Aldrich	241393 07920
MP Biomedicals	05209366
Alfa Aesar	B23867

Database	Data ID
PubChem	7564

M. W.

184.23708

CAS

101-54-2

Similarity

N/A

ID: 91154

4-butoxyaniline

$$$$ Data More

M. F.

C10H15NO

Suppliers	Catalog Number
Sigma Aldrich	232343
Alfa Aesar	A17528
Apollo Scientific	OR6681

Database	Data ID
PubChem	20352

M. W.

165.2322

CAS

4344-55-2

Similarity

N/A

ID: 91155

1-nitro-4-phenoxybenzene

$$$$ Data More

M. F.

C12H9NO3

Suppliers	Catalog Number
Sigma Aldrich	N21901
MP Biomedicals	05216983
Alfa Aesar	B25596

Database	Data ID
PubChem	12110

M. W.

215.20476

CAS

620-88-2

Similarity

N/A

ID: 91156

sodium thiophene-2-carboxylate

$$$$ Data

M. F.

C5H3NaO2S

Suppliers	Catalog Number
Apollo Scientific	OR6688
Bide Pharmatech	BD19678

Database	Data ID
PubChem	23672340

M. W.

150.13089

CAS

25112-68-9

Similarity

N/A

ID: 91157

4-(dimethylamino)-2-hydroxybenzaldehyde

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Apollo Scientific	OR6690
Bide Pharmatech	BD91274
A&J Pharmtech	AJA-O4715

Database	Data ID
PubChem	9815305

M. W.

165.18914

CAS

41602-56-6

Similarity

N/A

ID: 91158

5-(dimethylamino)-2-hydroxybenzaldehyde

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Apollo Scientific	OR6691

Database	Data ID
PubChem	12934646

M. W.

165.18914

CAS

67868-63-7

Similarity

N/A

ID: 91159

1-bromo-2-(bromomethyl)naphthalene

$$$$ Data More

M. F.

C11H8Br2

Suppliers	Catalog Number
Sigma Aldrich	779733
MP Biomedicals	05221664
Alfa Aesar	H50240

Database	Data ID
PubChem	37828

M. W.

299.98922

CAS

37763-43-2

Similarity

N/A

ID: 91160

3-(furan-2-yl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C7H6N2O2

Suppliers	Catalog Number
Apollo Scientific	OR6697
InterBioScreen	BB_SC-10552
Enamine	EN300-12250

Database	Data ID
PubChem	2517654

M. W.

150.13474

CAS

33866-44-3

Similarity

N/A

ID: 91161

1-nitro-2-(phenylsulfanyl)benzene

$$$$ Data

M. F.

C12H9NO2S

Suppliers	Catalog Number
Sigma Aldrich	468991
Apollo Scientific	OR6699

Database	Data ID
PubChem	348620

M. W.

231.27036

CAS

4171-83-9

Similarity

N/A

ID: 91162

cyclopentanecarbonyl chloride

$$$$ Data

M. F.

C6H9ClO

Suppliers	Catalog Number
Sigma Aldrich	328316
Alfa Aesar	A14142
Apollo Scientific	OR6700

Database	Data ID
PubChem	78284

M. W.

132.58806

CAS

4524-93-0

Similarity

N/A

ID: 91163

1-bromo-3-(bromomethyl)benzene

$$$$ Data More

M. F.

C7H6Br2

Suppliers	Catalog Number
Sigma Aldrich	187062 16457
Alfa Aesar	A15075
Apollo Scientific	OR6706

Database	Data ID
PubChem	69979

M. W.

249.93054

CAS

823-78-9

Similarity

N/A

ID: 91164

2-(2-methyl-3-nitrophenyl)acetonitrile

$$$$ Data More

M. F.

C9H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR6707
Enamine	EN300-122666
Bide Pharmatech	BD40935

Database	Data ID
PubChem	13530896

M. W.

176.17202

CAS

23876-14-4

Similarity

N/A

ID: 91165

1-(chloromethyl)-2-methyl-3-nitrobenzene

$$$$ Data More

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Sigma Aldrich	195367
Apollo Scientific	OR6708
Enamine	EN300-42222

Database	Data ID
PubChem	108947

M. W.

185.60762

CAS

60468-54-4

Similarity

N/A

ID: 91166

2,6-dichloro-4-methylphenol

$$$$ Data

M. F.

C7H6Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR6709
Chemik	CHB85400

Database	Data ID
PubChem	17077

M. W.

177.02794

CAS

2432-12-4

Similarity

N/A

ID: 91167

4-chloro-3-nitrobenzoyl chloride

$$$$ Data More

M. F.

C7H3Cl2NO3

Suppliers	Catalog Number
Sigma Aldrich	407925
Apollo Scientific	OR6710
TRC	C373900

Database	Data ID
PubChem	123477

M. W.

220.00962

CAS

38818-50-7

Similarity

N/A

ID: 91168

3-aminothiophen-2-yl acetate

$$$$ Data

M. F.

C6H7NO2S

Suppliers	Catalog Number
Apollo Scientific	OR6717

Database	Data ID
PubChem	26967128

M. W.

157.19028

CAS

Similarity

N/A

ID: 91169

4-isocyanato-1,3,5-trimethyl-1H-pyrazole

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Apollo Scientific	OR6718

Database	Data ID
PubChem	7164550

M. W.

151.16586

CAS

252956-48-2

Similarity

N/A

ID: 91170

4-isocyanato-5-methyl-1-phenyl-1H-pyrazole

$$$$ Data

M. F.

C11H9N3O

Suppliers	Catalog Number
Apollo Scientific	OR6719

Database	Data ID
PubChem	7164551

M. W.

199.20866

CAS

799283-97-9

Similarity

N/A

ID: 91171

1-(3-isocyanatophenyl)-1H-pyrrole

$$$$ Data

M. F.

C11H8N2O

Suppliers	Catalog Number
Maybridge	CC21906
Apollo Scientific	OR6720

Database	Data ID
PubChem	7162333

M. W.

184.19402

CAS

857283-59-1

Similarity

N/A

ID: 91172

1-(4-isocyanatophenyl)-1H-pyrrole

$$$$ Data

M. F.

C11H8N2O

Suppliers	Catalog Number
Maybridge	CC25506
Apollo Scientific	OR6721

Database	Data ID
PubChem	7162334

M. W.

184.19402

CAS

857283-60-4

Similarity

N/A

ID: 91173

5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride

$$$$ Data

M. F.

C10H8ClNO3S

Suppliers	Catalog Number
Maybridge	CC00503
Apollo Scientific	OR6722

Database	Data ID
PubChem	18525696

M. W.

257.69342

CAS

857283-56-8

Similarity

N/A

ID: 91174

methyl[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]amine

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Maybridge	CC00546
Apollo Scientific	OR6724

Database	Data ID
PubChem	7162097

M. W.

202.25236

CAS

857283-57-9

Similarity

N/A

ID: 91175

{[4-(1H-imidazol-1-yl)phenyl]methyl}(methyl)amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Maybridge	CC18546
Apollo Scientific	OR6725

Database	Data ID
PubChem	7157371

M. W.

187.24102

CAS

179873-45-1

Similarity

N/A

ID: 91176

methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
ChemBridge	4102993
Apollo Scientific	OR6726

Database	Data ID
PubChem	7157369

M. W.

175.23032

CAS

857283-58-0

Similarity

N/A

ID: 91177

4-iodobenzoyl chloride

$$$$ Data More

M. F.

C7H4ClIO

Suppliers	Catalog Number
Sigma Aldrich	252123
Alfa Aesar	B25388
Apollo Scientific	OR6727

Database	Data ID
PubChem	74373

M. W.

266.46353

CAS

1711-02-0

Similarity

N/A

ID: 91178

methyl({[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl})amine

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Maybridge	CC34846
Apollo Scientific	OR6728

Database	Data ID
PubChem	7162070

M. W.

203.24042

CAS

857283-77-3

Similarity

N/A

ID: 91179

[2-(1H-pyrazol-1-yl)phenyl]methanamine

$$$$ Data More

M. F.

C10H11N3

Suppliers	Catalog Number
ChemBridge	4003291
Maybridge	CC24413
Apollo Scientific	OR6729

Database	Data ID
PubChem	7015036

M. W.

173.21444

CAS

449758-13-8

Similarity

N/A

ID: 91180

5-(pyridin-3-yloxy)furan-2-carbaldehyde

$$$$ Data

M. F.

C10H7NO3

Suppliers	Catalog Number
Maybridge	CC42704
Apollo Scientific	OR6731

Database	Data ID
PubChem	7162336

M. W.

189.16748

CAS

857284-14-1

Similarity

N/A

ID: 91181

[3-(pyrrolidin-1-yl)phenyl]methanamine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Maybridge	CC38513
Apollo Scientific	OR6732

Database	Data ID
PubChem	7162061

M. W.

176.25814

CAS

175696-70-5

Similarity

N/A

ID: 91182

(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid

$$$$ Data More

M. F.

C5H9NO3

Suppliers	Catalog Number
Sigma Aldrich	H5534 H3656 56250 (more...)
MP Biomedicals	05203349
Alfa Aesar	A11851

Database	Data ID
PubChem	5810

M. W.

131.12986

CAS

51-35-4

Similarity

N/A

ID: 91183

2-phenylpropan-1-amine

$$$$ Data

M. F.

C9H13N

Suppliers	Catalog Number
Sigma Aldrich	180076
Alfa Aesar	B22942
Apollo Scientific	OR6734

Database	Data ID
Wikipedia	Β-Methylphenethylamine
PubChem	11398

M. W.

135.20622

CAS

582-22-9

Similarity

N/A

ID: 91184

2-(1,3-oxazol-5-yl)aniline

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Maybridge	CC35714
Apollo Scientific	OR6735

Database	Data ID
PubChem	7162068

M. W.

160.17262

CAS

774238-36-7

Similarity

N/A

ID: 91185

thieno[2,3-b]pyridine-2-carbaldehyde

$$$$ Data

M. F.

C8H5NOS

Suppliers	Catalog Number
Maybridge	CC05604
Apollo Scientific	OR6738

Database	Data ID
PubChem	289925

M. W.

163.1964

CAS

53174-98-4

Similarity

N/A

ID: 91186

3,5-dibromophenyl acetate

$$$$ Data

M. F.

C8H6Br2O2

Suppliers	Catalog Number
Apollo Scientific	OR6741

Database	Data ID
PubChem	26967130

M. W.

293.94004

CAS

Similarity

N/A

ID: 91187

5-bromo-2-chlorophenyl acetate

$$$$ Data

M. F.

C8H6BrClO2

Suppliers	Catalog Number
Apollo Scientific	OR6742

Database	Data ID
PubChem	26967133

M. W.

249.48904

CAS

Similarity

N/A

ID: 91188

ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate

$$$$ Data

M. F.

C8H7BrO3S

Suppliers	Catalog Number
Maybridge	BTB09133
Apollo Scientific	OR6743

Database	Data ID
PubChem	2736376

M. W.

263.10838

CAS

22098-10-8

Similarity

N/A

ID: 91189

3-(morpholin-4-ylmethyl)benzoic acid hydrate hydrochloride

$$$$ Data

M. F.

C12H18ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR6746

Database	Data ID
PubChem	18525746

M. W.

275.72862

CAS

857283-67-1

Similarity

N/A

ID: 91190

4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

$$$$ Data

M. F.

C8H7NO2S

Suppliers	Catalog Number
Maybridge	CC40901
Apollo Scientific	OR6747
InterBioScreen	BB_SC-9075

Database	Data ID
PubChem	3228395

M. W.

181.21168

CAS

841222-62-6

Similarity

N/A

ID: 91191

1-methyl-2-[2-(2-methylphenyl)ethyl]benzene

$$$$ Data

M. F.

C16H18

Suppliers	Catalog Number
Sigma Aldrich	342491
Apollo Scientific	OR6748

Database	Data ID
PubChem	136769

M. W.

210.31412

CAS

952-80-7

Similarity

N/A

ID: 91192

2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl chloride

$$$$ Data

M. F.

C11H7Cl2NOS

Suppliers	Catalog Number
Maybridge	CC29602
Apollo Scientific	OR6749

Database	Data ID
PubChem	7164562

M. W.

272.15038

CAS

54001-22-8

Similarity

N/A

ID: 91193

thieno[2,3-b]pyridin-2-ylmethanol

$$$$ Data

M. F.

C8H7NOS

Suppliers	Catalog Number
Maybridge	CC05609
Apollo Scientific	OR6750

Database	Data ID
PubChem	7162092

M. W.

165.21228

CAS

131337-81-0

Similarity

N/A

ID: 91194

(5-formylfuran-2-yl)methyl acetate

$$$$ Data

M. F.

C8H8O4

Suppliers	Catalog Number
Sigma Aldrich	145424
Apollo Scientific	OR6750T
TRC	A167500

Database	Data ID
PubChem	66349

M. W.

168.14672

CAS

10551-58-3

Similarity

N/A

ID: 91195

(dimethyl-1,3-oxazol-4-yl)methanol

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Maybridge	CC26809
Apollo Scientific	OR6751

Database	Data ID
PubChem	7162083

M. W.

127.14116

CAS

92901-94-5

Similarity

N/A

ID: 91196

8-chloro-5-(piperazine-1-sulfonyl)isoquinoline dihydrochloride

$$$$ Data

M. F.

C13H16Cl3N3O2S

Suppliers	Catalog Number
Apollo Scientific	OR6751T

Database	Data ID
PubChem	44119680

M. W.

384.70904

CAS

Similarity

N/A

ID: 91197

[4-(piperidin-1-ylmethyl)phenyl]methanol

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Maybridge	CC45509
Apollo Scientific	OR6752

Database	Data ID
PubChem	7162041

M. W.

205.29606

CAS

91271-62-4

Similarity

N/A

ID: 91198

[3-(pyrimidin-5-yl)phenyl]methanol

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Maybridge	CC41709
Apollo Scientific	OR6753

Database	Data ID
PubChem	7162050

M. W.

186.2099

CAS

852180-75-7

Similarity

N/A

ID: 91199

[4-(pyrimidin-5-yl)phenyl]methanol

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Maybridge	CC44309
Apollo Scientific	OR6754

Database	Data ID
PubChem	7162046

M. W.

186.2099

CAS

198084-13-8

Similarity

N/A

ID: 91200

2-(1H-pyrazol-1-yl)benzonitrile

$$$$ Data

M. F.

C10H7N3

Suppliers	Catalog Number
Maybridge	CC24416
Apollo Scientific	OR6755
Enamine	EN300-56921

Database	Data ID
PubChem	7164558

M. W.

169.18268

CAS

25775-03-5

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