Chembase list of 866358 unique molecular structures

2-{2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl}acetic acid

$$$$ Data

M. F.

C9H12N2O4

Suppliers	Catalog Number
Matrix Scientific	033773
InterBioScreen	BB_SC-5182
Enamine	EN300-08517

Database	Data ID
PubChem	4996089

M. W.

212.20258

CAS

714-72-7

Similarity

N/A

ID: 31102

1-(3-fluorobenzenesulfonyl)piperazine

$$$$ Data

M. F.

C10H13FN2O2S

Suppliers	Catalog Number
Matrix Scientific	033774
Enamine	EN300-08747

Database	Data ID
PubChem	2106912

M. W.

244.2858232

CAS

Similarity

N/A

ID: 31103

2-acetamido-4-(thiophen-2-yl)thiophene-3-carboxylic acid

$$$$ Data

M. F.

C11H9NO3S2

Suppliers	Catalog Number
Matrix Scientific	033775
Enamine	EN300-09351

Database	Data ID
PubChem	4991201

M. W.

267.32406

CAS

Similarity

N/A

ID: 31104

4-(difluoromethoxy)-3-ethoxybenzoic acid

$$$$ Data

M. F.

C10H10F2O4

Suppliers	Catalog Number
Matrix Scientific	033776
Enamine	EN300-09995

Database	Data ID
PubChem	2060853

M. W.

232.1808064

CAS

Similarity

N/A

ID: 31105

2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine

$$$$ Data

M. F.

C12H20N2S

Suppliers	Catalog Number
Matrix Scientific	033777
Enamine	EN300-10367

Database	Data ID
PubChem	4352910

M. W.

224.3656

CAS

Similarity

N/A

ID: 31106

4-(furan-2-yl)-4-oxobutanoic acid

$$$$ Data

M. F.

C8H8O4

Suppliers	Catalog Number
Matrix Scientific	033778

Database	Data ID
PubChem	3729098

M. W.

168.14672

CAS

10564-00-8

Similarity

N/A

ID: 31107

2-chloro-1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)ethan-1-one

$$$$ Data

M. F.

C10H14ClNO

Suppliers	Catalog Number
Matrix Scientific	033779
Enamine	EN300-10583

Database	Data ID
PubChem	2119986

M. W.

199.67726

CAS

Similarity

N/A

ID: 31108

1-[2-(pyridin-2-yl)ethyl]piperazine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Matrix Scientific	033780
Apollo Scientific	OR0068
InterBioScreen	BB_SC-2135

Database	Data ID
PubChem	566605

M. W.

191.27278

CAS

53345-15-6

Similarity

N/A

ID: 31109

2-{4-oxo-3H,4H-thieno[2,3-d]pyrimidin-3-yl}acetic acid

$$$$ Data

M. F.

C8H6N2O3S

Suppliers	Catalog Number
Matrix Scientific	033781
InterBioScreen	BB_SC-4126
Enamine	EN300-10771

Database	Data ID
PubChem	3792097

M. W.

210.20984

CAS

18740-34-6

Similarity

N/A

ID: 31110

2-chloro-1-(1H-indol-3-yl)propan-1-one

$$$$ Data

M. F.

C11H10ClNO

Suppliers	Catalog Number
Matrix Scientific	033782
Enamine	EN300-11122

Database	Data ID
PubChem	4868392

M. W.

207.6562

CAS

17380-07-3

Similarity

N/A

ID: 31111

2-(3-methoxyphenyl)-2-(pyrrolidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Matrix Scientific	033783
InterBioScreen	BB_SC-5700
Enamine	EN300-11242

Database	Data ID
PubChem	4868413

M. W.

220.3107

CAS

Similarity

N/A

ID: 31112

1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H15NO4

Suppliers	Catalog Number
Matrix Scientific	033784
Enamine	EN300-11373

Database	Data ID
PubChem	4961598

M. W.

249.2625

CAS

Similarity

N/A

ID: 31113

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C11H8ClNO2S

Suppliers	Catalog Number
Matrix Scientific	033785
InterBioScreen	BB_SC-5690
Enamine	EN300-11435

Database	Data ID
PubChem	2577545

M. W.

253.70472

CAS

17969-26-5

Similarity

N/A

ID: 31114

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6H-1,3,4-thiadiazin-2-amine hydrobromide

$$$$ Data

M. F.

C11H12BrN3O2S

Suppliers	Catalog Number
Matrix Scientific	033786

Database	Data ID
PubChem	16192913

M. W.

330.20088

CAS

Similarity

N/A

ID: 31115

2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Matrix Scientific	033787

Database	Data ID
PubChem	3542508

M. W.

218.2087

CAS

Similarity

N/A

ID: 31116

6-(4-fluorophenyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C11H9FN2O3

Suppliers	Catalog Number
Matrix Scientific	033788

Database	Data ID
PubChem	3876987

M. W.

236.1991632

CAS

Similarity

N/A

ID: 31117

2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C12H11NO3S

Suppliers	Catalog Number
Matrix Scientific	033789
InterBioScreen	BB_SC-4685

Database	Data ID
PubChem	2081070

M. W.

249.28564

CAS

Similarity

N/A

ID: 31118

2-chloro-N-(3-fluoro-2-methylphenyl)acetamide

$$$$ Data

M. F.

C9H9ClFNO

Suppliers	Catalog Number
ChemBridge	4022584
Matrix Scientific	033790

Database	Data ID
PubChem	954249

M. W.

201.6252632

CAS

347196-12-7

Similarity

N/A

ID: 31119

7-methyl-3-{[(2-phenylethyl)amino]methyl}-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C19H20N2O

Suppliers	Catalog Number
Matrix Scientific	033791

Database	Data ID
PubChem	18524713

M. W.

292.3749

CAS

Similarity

N/A

ID: 31120

6-methoxy-3-{[(2-phenylethyl)amino]methyl}-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C19H20N2O2

Suppliers	Catalog Number
Matrix Scientific	033792

Database	Data ID
PubChem	18524717

M. W.

308.3743

CAS

Similarity

N/A

ID: 31121

2-(dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-amine

$$$$ Data

M. F.

C6H12N4

Suppliers	Catalog Number
ChemBridge	4027941
Matrix Scientific	033793

Database	Data ID
PubChem	6492581

M. W.

140.18628

CAS

878717-42-1

Similarity

N/A

ID: 31122

2-(dimethyl-1H-1,2,4-triazol-1-yl)propan-1-amine

$$$$ Data

M. F.

C7H14N4

Suppliers	Catalog Number
Matrix Scientific	033794

Database	Data ID
PubChem	6492582

M. W.

154.21286

CAS

Similarity

N/A

ID: 31123

3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
Sigma Aldrich	CBR00233
ChemBridge	4003749
Matrix Scientific	033795

Database	Data ID
PubChem	25219665

M. W.

153.2248

CAS

936940-75-9

Similarity

N/A

ID: 31124

3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine

$$$$ Data

M. F.

C10H19N3

Suppliers	Catalog Number
Matrix Scientific	033796

Database	Data ID
PubChem	23006062

M. W.

181.27796

CAS

Similarity

N/A

ID: 31125

3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropan-1-amine

$$$$ Data

M. F.

C9H17N3

Suppliers	Catalog Number
Matrix Scientific	033797
Enamine	EN300-41807

Database	Data ID
PubChem	19616567

M. W.

167.25138

CAS

Similarity

N/A

ID: 31126

3-(2-hydroxyethoxy)benzaldehyde

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Matrix Scientific	033800

Database	Data ID
PubChem	6453965

M. W.

166.1739

CAS

60345-97-3

Similarity

N/A

ID: 31127

1-benzofuran-2-carbaldehyde

$$$$ Data More

M. F.

C9H6O2

Suppliers	Catalog Number
Sigma Aldrich	493449 W312800
Alfa Aesar	L02456
Matrix Scientific	033801

Database	Data ID
PubChem	61341

M. W.

146.14274

CAS

4265-16-1

Similarity

N/A

ID: 31128

1-(2-bromoethoxy)-2-methoxybenzene

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Alfa Aesar	H52382
Matrix Scientific	033802
Enamine	EN300-49077

Database	Data ID
PubChem	1799099

M. W.

231.08644

CAS

4463-59-6

Similarity

N/A

ID: 31129

4-(4H-1,2,4-triazol-4-yl)aniline

$$$$ Data

M. F.

C8H8N4

Suppliers	Catalog Number
Matrix Scientific	033803
A&J Pharmtech	AJA-O14253

Database	Data ID
PubChem	6492920

M. W.

160.17592

CAS

52761-74-7

Similarity

N/A

ID: 31130

3-(4H-1,2,4-triazol-4-yl)aniline

$$$$ Data More

M. F.

C8H8N4

Suppliers	Catalog Number
Sigma Aldrich	CBR00123
ChemBridge	4016175
Matrix Scientific	033804

Database	Data ID
PubChem	6492921

M. W.

160.17592

CAS

252928-92-0

Similarity

N/A

ID: 31131

3-(1H-1,2,3,4-tetrazol-5-yl)benzoic acid

$$$$ Data

M. F.

C8H6N4O2

Suppliers	Catalog Number
Alfa Aesar	H27581
Matrix Scientific	033805
Enamine	EN300-14342

Database	Data ID
PubChem	333942

M. W.

190.15884

CAS

73096-39-6

Similarity

N/A

ID: 31132

2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C15H11FN2O

Suppliers	Catalog Number
Matrix Scientific	033806

Database	Data ID
PubChem	2759110

M. W.

254.2590432

CAS

Similarity

N/A

ID: 31133

2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C14H9FN2O

Suppliers	Catalog Number
ChemBridge	6317513
Matrix Scientific	033807

Database	Data ID
PubChem	712408

M. W.

240.2324632

CAS

425658-37-3

Similarity

N/A

ID: 31134

1-(2H-1,3-benzodioxol-5-yl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C12H9NO3

Suppliers	Catalog Number
Matrix Scientific	033808
Key Organics	12R-0627

Database	Data ID
PubChem	4296504

M. W.

215.20476

CAS

383147-55-5

Similarity

N/A

ID: 31135

2-[4-(1H-pyrrol-1-yl)phenyl]acetic acid

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Matrix Scientific	033809
Enamine	EN300-36052

Database	Data ID
PubChem	30923

M. W.

201.22124

CAS

22048-71-1

Similarity

N/A

ID: 31136

3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C10H10FN3O

Suppliers	Catalog Number
Matrix Scientific	033810

Database	Data ID
PubChem	3730931

M. W.

207.2043032

CAS

Similarity

N/A

ID: 31137

3-(2-methoxyphenyl)-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C10H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	033811

Database	Data ID
PubChem	46736477

M. W.

225.67478

CAS

Similarity

N/A

ID: 31138

3-(2,4-dichlorophenyl)-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C9H8Cl3N3

Suppliers	Catalog Number
Matrix Scientific	033812

Database	Data ID
PubChem	16495452

M. W.

264.53892

CAS

Similarity

N/A

ID: 31139

4-ethoxy-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Matrix Scientific	033814
Enamine	EN300-15097

Database	Data ID
PubChem	4203428

M. W.

205.20994

CAS

Similarity

N/A

ID: 31140

6-fluoro-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C9H6FNO2

Suppliers	Catalog Number
Matrix Scientific	033815
Apollo Scientific	PC1239
Enamine	EN300-15088

Database	Data ID
PubChem	4307444

M. W.

179.1478432

CAS

3093-97-8

Similarity

N/A

ID: 31141

4-methyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Matrix Scientific	033816
Enamine	EN300-15103
Bide Pharmatech	BD8315

Database	Data ID
PubChem	3926087

M. W.

175.18396

CAS

18474-57-2

Similarity

N/A

ID: 31142

4-propoxy-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
Matrix Scientific	033817

Database	Data ID
PubChem	4715242

M. W.

219.23652

CAS

Similarity

N/A

ID: 31143

1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C14H19N3O2

Suppliers	Catalog Number
Matrix Scientific	033819
InterBioScreen	BB_SC-3672

Database	Data ID
PubChem	4715087

M. W.

261.31956

CAS

Similarity

N/A

ID: 31144

2-chloro-5-(1H-pyrazol-1-yl)benzoic acid

$$$$ Data

M. F.

C10H7ClN2O2

Suppliers	Catalog Number
ChemBridge	9031139
Matrix Scientific	033820
InterBioScreen	BB_SC-4892

Database	Data ID
PubChem	5311912

M. W.

222.62778

CAS

957509-90-9

Similarity

N/A

ID: 31145

(2-fluorophenyl)(phenyl)methanamine hydrochloride

$$$$ Data

M. F.

C13H13ClFN

Suppliers	Catalog Number
Matrix Scientific	033821

Database	Data ID
PubChem	46736478

M. W.

237.7004232

CAS

Similarity

N/A

ID: 31146

2-{[(3-methoxyphenyl)methyl](methyl)amino}acetic acid

$$$$ Data

M. F.

C11H15NO3

Suppliers	Catalog Number
Matrix Scientific	033822

Database	Data ID
PubChem	25777384

M. W.

209.2417

CAS

Similarity

N/A

ID: 31147

2-{[(2-fluorophenyl)methyl](methyl)amino}acetic acid hydrochloride

$$$$ Data

M. F.

C10H13ClFNO2

Suppliers	Catalog Number
Matrix Scientific	033823

Database	Data ID
PubChem	46736479

M. W.

233.6671232

CAS

Similarity

N/A

ID: 31148

2-{[(4-fluorophenyl)methyl](methyl)amino}acetic acid hydrochloride

$$$$ Data

M. F.

C10H13ClFNO2

Suppliers	Catalog Number
Matrix Scientific	033824

Database	Data ID
PubChem	46736480

M. W.

233.6671232

CAS

Similarity

N/A

ID: 31149

1-(2-aminopropoxy)-4-methoxybenzene

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Matrix Scientific	033825

Database	Data ID
PubChem	6484652

M. W.

181.2316

CAS

Similarity

N/A

ID: 31150

1-(2-aminopropoxy)-4-chlorobenzene

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Matrix Scientific	033826

Database	Data ID
PubChem	6484653

M. W.

185.65068

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