Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C8H7FO2

Suppliers	Catalog Number
Sigma Aldrich	597260
Alfa Aesar	H26729
Apollo Scientific	PC1746

Database	Data ID
PubChem	3774463

M. W.

154.1383832

CAS

103438-88-6

Similarity

N/A

ID: 94402

methyl 3-bromo-4-fluorobenzoate

$$$$ Data

M. F.

C8H6BrFO2

Suppliers	Catalog Number
Apollo Scientific	PC1748
A&J Pharmtech	AJA-O32245

Database	Data ID
PubChem	7018022

M. W.

233.0344432

CAS

82702-31-6

Similarity

N/A

ID: 94403

potassium (4-bromophenyl)trifluoroboranuide

$$$$ Data

M. F.

C6H4BBrF3K

Suppliers	Catalog Number
Sigma Aldrich	571547
Alfa Aesar	L17967
Apollo Scientific	PC1749

Database	Data ID
PubChem	23674779

M. W.

262.9044696

CAS

374564-35-9

Similarity

N/A

ID: 94404

1-(3-chloropropoxy)-4-fluorobenzene

$$$$ Data More

M. F.

C9H10ClFO

Suppliers	Catalog Number
Alfa Aesar	B24423
Apollo Scientific	PC1751
Bide Pharmatech	BD11217

Database	Data ID
PubChem	74391

M. W.

188.6265032

CAS

1716-42-3

Similarity

N/A

ID: 94405

potassium (4-tert-butylphenyl)trifluoroboranuide

$$$$ Data

M. F.

C10H13BF3K

Suppliers	Catalog Number
Sigma Aldrich	654728
Apollo Scientific	PC1752

Database	Data ID
PubChem	23687452

M. W.

240.1147296

CAS

423118-47-2

Similarity

N/A

ID: 94406

2-chloro-2,2-difluoro-1-phenylethan-1-one

$$$$ Data More

M. F.

C8H5ClF2O

Suppliers	Catalog Number
MP Biomedicals	05202127
Alfa Aesar	L16963
Apollo Scientific	PC1753

Database	Data ID
PubChem	238296

M. W.

190.5745064

CAS

345-29-9

Similarity

N/A

ID: 94407

potassium trifluoro[4-(trifluoromethyl)phenyl]boranuide

$$$$ Data More

M. F.

C7H4BF6K

Suppliers	Catalog Number
Sigma Aldrich	576131
Alfa Aesar	H53259
Apollo Scientific	PC1754

Database	Data ID
PubChem	23679121

M. W.

252.0063792

CAS

166328-08-1

Similarity

N/A

ID: 94408

(2-fluorophenyl)hydrazine

$$$$ Data More

M. F.

C6H7FN2

Suppliers	Catalog Number
Apollo Scientific	PC1759
InterBioScreen	BB_SC-6248
Chemik	CHB95005

Database	Data ID
PubChem	423844

M. W.

126.1315832

CAS

2368-80-1

Similarity

N/A

ID: 94409

4-iodophenyl 4-fluorobenzoate

$$$$ Data

M. F.

C13H8FIO2

Suppliers	Catalog Number
Apollo Scientific	PC1761

Database	Data ID
PubChem	17086583

M. W.

342.1042932

CAS

Similarity

N/A

ID: 94410

4-fluorophenyl 4-iodobenzoate

$$$$ Data

M. F.

C13H8FIO2

Suppliers	Catalog Number
Apollo Scientific	PC1762

Database	Data ID
PubChem	26985089

M. W.

342.1042932

CAS

Similarity

N/A

ID: 94411

3,4-difluorophenyl 4-iodobenzoate

$$$$ Data

M. F.

C13H7F2IO2

Suppliers	Catalog Number
Apollo Scientific	PC1763

Database	Data ID
PubChem	26985092

M. W.

360.0947564

CAS

Similarity

N/A

ID: 94412

3,5-difluorophenyl 4-iodobenzoate

$$$$ Data

M. F.

C13H7F2IO2

Suppliers	Catalog Number
Apollo Scientific	PC1764

Database	Data ID
PubChem	26985093

M. W.

360.0947564

CAS

Similarity

N/A

ID: 94413

2,3-difluorophenyl 4-iodobenzoate

$$$$ Data

M. F.

C13H7F2IO2

Suppliers	Catalog Number
Apollo Scientific	PC1765

Database	Data ID
PubChem	26985095

M. W.

360.0947564

CAS

Similarity

N/A

ID: 94414

2,4-difluorophenyl 4-iodobenzoate

$$$$ Data

M. F.

C13H7F2IO2

Suppliers	Catalog Number
Apollo Scientific	PC1766

Database	Data ID
PubChem	26985097

M. W.

360.0947564

CAS

Similarity

N/A

ID: 94415

3,4,5-trifluorophenyl 4-iodobenzoate

$$$$ Data

M. F.

C13H6F3IO2

Suppliers	Catalog Number
Apollo Scientific	PC1767

Database	Data ID
PubChem	26985099

M. W.

378.0852196

CAS

Similarity

N/A

ID: 94416

potassium [2-(ethoxycarbonyl)phenyl]trifluoroboranuide

$$$$ Data

M. F.

C9H9BF3KO2

Suppliers	Catalog Number
Alfa Aesar	H52760
Apollo Scientific	PC1768

Database	Data ID
PubChem	44717237

M. W.

256.0710696

CAS

850623-73-3

Similarity

N/A

ID: 94417

potassium [3,5-bis(trifluoromethyl)phenyl]trifluoroboranuide

$$$$ Data

M. F.

C8H3BF9K

Suppliers	Catalog Number
Sigma Aldrich	571563
Alfa Aesar	H53113
Apollo Scientific	PC1769

Database	Data ID
PubChem	23668091

M. W.

320.0043488

CAS

166328-09-2

Similarity

N/A

ID: 94418

3-(dihydroxyboranyl)-5-fluorobenzoic acid

$$$$ Data More

M. F.

C7H6BFO4

Suppliers	Catalog Number
Sigma Aldrich	720577
Alfa Aesar	H52886
Apollo Scientific	PC1770

Database	Data ID
PubChem	44717205

M. W.

183.9295432

CAS

871329-84-9

Similarity

N/A

ID: 94419

8-methoxy-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C11H8F3NO

Suppliers	Catalog Number
Apollo Scientific	PC1771

Database	Data ID
PubChem	614880

M. W.

227.1825296

CAS

Similarity

N/A

ID: 94420

[3-fluoro-5-(methoxycarbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BFO4

Suppliers	Catalog Number
Apollo Scientific	PC1774
A&J Pharmtech	AJA-O29003

Database	Data ID
PubChem	44717206

M. W.

197.9561232

CAS

871329-62-3

Similarity

N/A

ID: 94421

[2-(propan-2-yloxy)-5-(trifluoromethyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H12BF3O3

Suppliers	Catalog Number
Alfa Aesar	H53121
Apollo Scientific	PC1775
A&J Pharmtech	AJA-O29039

Database	Data ID
PubChem	44717207

M. W.

248.0066896

CAS

850593-12-3

Similarity

N/A

ID: 94422

[3-(ethoxycarbonyl)-5-fluorophenyl]boronic acid

$$$$ Data

M. F.

C9H10BFO4

Suppliers	Catalog Number
Apollo Scientific	PC1778
Bide Pharmatech	BD230857
A&J Pharmtech	AJA-O29044

Database	Data ID
PubChem	44717208

M. W.

211.9827032

CAS

871329-85-0

Similarity

N/A

ID: 94423

2-chloro-1,1-difluoroethene

$$$$ Data

M. F.

C2HClF2

Suppliers	Catalog Number
Apollo Scientific	PC1780

Database	Data ID
PubChem	9664

M. W.

98.4791464

CAS

359-10-4

Similarity

N/A

ID: 94424

2,2-difluoro-2-titanapentacyclo[12.7.0.0^{3,11}.0^{4,9}.0^{15,20}]henicosa-3,9,1...

$$$$ Data

M. F.

C20H24F2Ti

Suppliers	Catalog Number
Apollo Scientific	PC1781

Database	Data ID
PubChem	16684466

M. W.

350.2683664

CAS

Similarity

N/A

ID: 94425

4-fluoro-2,3-dihydro-1H-inden-1-one

$$$$ Data More

M. F.

C9H7FO

Suppliers	Catalog Number
Sigma Aldrich	681636
Alfa Aesar	H59356
Apollo Scientific	PC1783

Database	Data ID
PubChem	12174986

M. W.

150.1496832

CAS

699-99-0

Similarity

N/A

ID: 94426

3-aminobenzene-1-sulfonyl fluoride hydrochloride

$$$$ Data

M. F.

C6H7ClFNO2S

Suppliers	Catalog Number
Apollo Scientific	PC1784

Database	Data ID
PubChem	77496

M. W.

211.6416832

CAS

3887-48-7

Similarity

N/A

ID: 94427

{3-[(trifluoromethyl)sulfanyl]phenyl}methanamine

$$$$ Data

M. F.

C8H8F3NS

Suppliers	Catalog Number
Apollo Scientific	PC1785

Database	Data ID
PubChem	2777873

M. W.

207.2160296

CAS

234450-33-0

Similarity

N/A

ID: 94428

3-nitrobenzene-1-sulfonyl fluoride

$$$$ Data

M. F.

C6H4FNO4S

Suppliers	Catalog Number
Apollo Scientific	PC1787

Database	Data ID
PubChem	67683

M. W.

205.1636632

CAS

349-78-0

Similarity

N/A

ID: 94429

3-(2-fluorophenyl)propanoyl chloride

$$$$ Data

M. F.

C9H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC1788

Database	Data ID
PubChem	23293632

M. W.

186.6106232

CAS

52163-89-0

Similarity

N/A

ID: 94430

3-(4-bromophenyl)-1-(4-fluorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C15H10BrFO

Suppliers	Catalog Number
Apollo Scientific	PC1791

Database	Data ID
PubChem	5286093

M. W.

305.1417032

CAS

Similarity

N/A

ID: 94431

1,1,1,2,2-pentafluoropentan-3-ol

$$$$ Data

M. F.

C5H7F5O

Suppliers	Catalog Number
Apollo Scientific	PC1792

Database	Data ID
PubChem	220635

M. W.

178.100496

CAS

378-71-2

Similarity

N/A

ID: 94432

4-(2-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C15H9ClF3N3OS

Suppliers	Catalog Number
Apollo Scientific	PC1793

Database	Data ID
PubChem	2773833

M. W.

371.7646696

CAS

Similarity

N/A

ID: 94433

methyl 2-bromo-5-fluorobenzoate

$$$$ Data

M. F.

C8H6BrFO2

Suppliers	Catalog Number
Apollo Scientific	PC1796
Bide Pharmatech	BD138203
A&J Pharmtech	AJA-O38955

Database	Data ID
PubChem	138875

M. W.

233.0344432

CAS

6942-39-8

Similarity

N/A

ID: 94434

2-chloro-3,5-difluorophenol

$$$$ Data

M. F.

C6H3ClF2O

Suppliers	Catalog Number
Sigma Aldrich	347809
Apollo Scientific	PC1797

Database	Data ID
PubChem	2733297

M. W.

164.5372264

CAS

206986-81-4

Similarity

N/A

ID: 94435

[2-(acetyloxy)-5-fluorophenyl]methyl acetate

$$$$ Data

M. F.

C11H11FO4

Suppliers	Catalog Number
Apollo Scientific	PC1799

Database	Data ID
PubChem	10751695

M. W.

226.2010432

CAS

Similarity

N/A

ID: 94436

4-(chloromethyl)-2-fluoro-1-methoxybenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Alfa Aesar	H31756
Apollo Scientific	PC1802
Chemik	CHB03000

Database	Data ID
PubChem	2060903

M. W.

174.5999232

CAS

351-52-0

Similarity

N/A

ID: 94437

2-(4-chloro-3-fluorophenyl)acetonitrile

$$$$ Data

M. F.

C8H5ClFN

Suppliers	Catalog Number
Apollo Scientific	PC1803
Chemik	CHB11600
Bide Pharmatech	BD19683

Database	Data ID
PubChem	3804414

M. W.

169.5834032

CAS

251570-03-3

Similarity

N/A

ID: 94438

ethyl 6-fluoro-2-methylquinoline-3-carboxylate

$$$$ Data

M. F.

C13H12FNO2

Suppliers	Catalog Number
Apollo Scientific	PC1804
A&J Pharmtech	AJA-O32852

Database	Data ID
PubChem	663463

M. W.

233.2382832

CAS

282540-26-5

Similarity

N/A

ID: 94439

1-(2-chloroethanesulfonyl)-4-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO2S

Suppliers	Catalog Number
Alfa Aesar	A16930
Apollo Scientific	PC1812R

Database	Data ID
PubChem	2736505

M. W.

222.6643232

CAS

33330-46-0

Similarity

N/A

ID: 94440

1-(2-chloroethanesulfonyl)-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H8ClF3O2S

Suppliers	Catalog Number
Apollo Scientific	PC1813

Database	Data ID
PubChem	2736506

M. W.

272.6718296

CAS

175203-09-5

Similarity

N/A

ID: 94441

1-(chloromethyl)-4-fluoro-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Apollo Scientific	PC1816
Chemik	CHB08400

Database	Data ID
PubChem	2759167

M. W.

212.5719128

CAS

248262-29-5

Similarity

N/A

ID: 94442

1-(2-chloro-4-fluorophenyl)ethan-1-one

$$$$ Data More

M. F.

C8H6ClFO

Suppliers	Catalog Number
Alfa Aesar	L19880
Apollo Scientific	PC1817M
Enamine	EN300-14853

Database	Data ID
PubChem	2736507

M. W.

172.5840432

CAS

700-35-6

Similarity

N/A

ID: 94443

chloro[(4-fluorophenyl)methyl]zinc

$$$$ Data

M. F.

C7H6ClFZn

Suppliers	Catalog Number
Sigma Aldrich	498602
Alfa Aesar	H58847
Apollo Scientific	PC1821

Database	Data ID
PubChem	2778179

M. W.

209.9539432

CAS

312693-07-5

Similarity

N/A

ID: 94444

2-(chloromethyl)-4-fluoro-1-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Apollo Scientific	PC1823
Chemik	CHB08300

Database	Data ID
PubChem	2759169

M. W.

212.5719128

CAS

832113-94-7

Similarity

N/A

ID: 94445

4,4,4-trifluoro-2,2-dimethylbutanoic acid

$$$$ Data

M. F.

C6H9F3O2

Suppliers	Catalog Number
Apollo Scientific	PC1824

Database	Data ID
PubChem	10057937

M. W.

170.1296696

CAS

939399-07-2

Similarity

N/A

ID: 94446

1-chloro-4-fluoro-2-methoxybenzene

$$$$ Data

M. F.

C7H6ClFO

Suppliers	Catalog Number
Apollo Scientific	PC1824E

Database	Data ID
PubChem	2724520

M. W.

160.5733432

CAS

450-89-5

Similarity

N/A

ID: 94447

1-chloro-2-fluoro-4-methoxybenzene

$$$$ Data

M. F.

C7H6ClFO

Suppliers	Catalog Number
Apollo Scientific	PC1824J
Bide Pharmatech	BD95895
A&J Pharmtech	AJA-O3392

Database	Data ID
PubChem	2724521

M. W.

160.5733432

CAS

501-29-1

Similarity

N/A

ID: 94448

1-chloro-2-(dichloromethyl)-3-fluorobenzene

$$$$ Data

M. F.

C7H4Cl3F

Suppliers	Catalog Number
Sigma Aldrich	218154
Apollo Scientific	PC1826

Database	Data ID
PubChem	600965

M. W.

213.4640632

CAS

62476-62-4

Similarity

N/A

ID: 94449

potassium pentadecafluorooctanoate

$$$$ Data

M. F.

C8F15KO2

Suppliers	Catalog Number
Apollo Scientific	PC1828

Database	Data ID
PubChem	4253803

M. W.

452.158748

CAS

2395-00-8

Similarity

N/A

ID: 94450

N-[3-(trifluoromethyl)phenyl]cyclopentanecarboxamide

$$$$ Data

M. F.

C13H14F3NO

Suppliers	Catalog Number
Apollo Scientific	PC1829

Database	Data ID
PubChem	139545

M. W.

257.2515696

CAS

13691-84-4

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