Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H8F2O2

Suppliers	Catalog Number
Sigma Aldrich	533092
Apollo Scientific	PC7477

Database	Data ID
PubChem	2774205

M. W.

198.1661264

CAS

62679-61-2

Similarity

N/A

ID: 99652

N-{1-[3-(trifluoromethyl)phenyl]ethylidene}hydroxylamine

$$$$ Data

M. F.

C9H8F3NO

Suppliers	Catalog Number
Apollo Scientific	PC7480A

Database	Data ID
PubChem	5708816

M. W.

203.1611296

CAS

99705-50-7

Similarity

N/A

ID: 99653

2,4-difluorophenyl trifluoromethanesulfonate

$$$$ Data

M. F.

C7H3F5O3S

Suppliers	Catalog Number
Apollo Scientific	PC7501

Database	Data ID
PubChem	15440799

M. W.

262.153936

CAS

264135-49-1

Similarity

N/A

ID: 99654

2-amino-5-(trifluoromethyl)benzoic acid

$$$$ Data More

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7503
Chemik	CHB38274
Enamine	EN300-95834

Database	Data ID
PubChem	10465535

M. W.

205.1339496

CAS

83265-53-6

Similarity

N/A

ID: 99655

N-{[3-(trifluoromethyl)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C8H6F3NO

Suppliers	Catalog Number
Apollo Scientific	PC7504

Database	Data ID
PubChem	9582164

M. W.

189.1345496

CAS

368-83-2

Similarity

N/A

ID: 99656

N'-hydroxy-4-(trifluoromethyl)benzene-1-carboximidamide

$$$$ Data More

M. F.

C8H7F3N2O

Suppliers	Catalog Number
Sigma Aldrich	542822
Maybridge	RF03217
Apollo Scientific	PC7507M

Database	Data ID
PubChem	9581576

M. W.

204.1491896

CAS

22179-86-8

Similarity

N/A

ID: 99657

(1R)-1-[4-(trifluoromethoxy)phenyl]ethan-1-amine

$$$$ Data

M. F.

C9H10F3NO

Suppliers	Catalog Number
Apollo Scientific	PC7515

Database	Data ID
PubChem	40786951

M. W.

205.1770096

CAS

951247-75-9

Similarity

N/A

ID: 99658

1-(5-bromo-2-fluoropyridin-3-yl)ethan-1-one

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7516
Bide Pharmatech	BD211978
A&J Pharmtech	AJA-O19382

Database	Data ID
PubChem	40151906

M. W.

218.0231032

CAS

1111637-74-1

Similarity

N/A

ID: 99659

2-[4-(bromomethyl)-3-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H17BBrFO2

Suppliers	Catalog Number
Apollo Scientific	PC7518
Bide Pharmatech	BD230075

Database	Data ID
PubChem	46739422

M. W.

314.9862832

CAS

1150271-74-1

Similarity

N/A

ID: 99660

1-fluoro-3-methoxy-5-methylbenzene

$$$$ Data

M. F.

C8H9FO

Suppliers	Catalog Number
Apollo Scientific	PC7519

Database	Data ID
PubChem	21304350

M. W.

140.1548632

CAS

160911-11-5

Similarity

N/A

ID: 99661

1-(bromomethyl)-4-methanesulfonyl-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H8BrF3O2S

Suppliers	Catalog Number
Apollo Scientific	PC7521

Database	Data ID
PubChem	51342049

M. W.

317.1228296

CAS

934557-65-0

Similarity

N/A

ID: 99662

3,3-dichloro-1,1-difluoroprop-1-ene

$$$$ Data

M. F.

C3H2Cl2F2

Suppliers	Catalog Number
Apollo Scientific	PC7523

Database	Data ID
PubChem	51342050

M. W.

146.9507864

CAS

Similarity

N/A

ID: 99663

3-chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}aniline

$$$$ Data

M. F.

C12H8ClF3N2O

Suppliers	Catalog Number
Apollo Scientific	PC7525

Database	Data ID
PubChem	13019604

M. W.

288.6529296

CAS

72045-93-3

Similarity

N/A

ID: 99664

3,5-dichloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}aniline

$$$$ Data

M. F.

C12H7Cl2F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC7526

Database	Data ID
PubChem	13017623

M. W.

323.0979896

CAS

Similarity

N/A

ID: 99665

3,5-dichloro-4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}aniline

$$$$ Data

M. F.

C12H7Cl2F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC7527

Database	Data ID
PubChem	51342051

M. W.

323.0979896

CAS

Similarity

N/A

ID: 99666

1,3,3-trichloro-1-fluoroprop-1-ene

$$$$ Data

M. F.

C3H2Cl3F

Suppliers	Catalog Number
Apollo Scientific	PC7528

Database	Data ID
PubChem	21838912

M. W.

163.4053832

CAS

Similarity

N/A

ID: 99667

2,4,6-tribromo-3,5-difluoropyridine

$$$$ Data

M. F.

C5Br3F2N

Suppliers	Catalog Number
Apollo Scientific	PC7529

Database	Data ID
PubChem	2778700

M. W.

351.7690064

CAS

30841-93-1

Similarity

N/A

ID: 99668

1,2-dichloro-1,1,4,4,4-pentafluorobutane

$$$$ Data

M. F.

C4H3Cl2F5

Suppliers	Catalog Number
Apollo Scientific	PC7531

Database	Data ID
PubChem	11117473

M. W.

216.964636

CAS

153083-94-4

Similarity

N/A

ID: 99669

1,2-dibromo-1,1,4,4,4-pentafluorobutane

$$$$ Data

M. F.

C4H3Br2F5

Suppliers	Catalog Number
Apollo Scientific	PC7532

Database	Data ID
PubChem	51342052

M. W.

305.866636

CAS

Similarity

N/A

ID: 99670

tributyl[3-(trifluoromethyl)phenyl]stannane

$$$$ Data

M. F.

C19H31F3Sn

Suppliers	Catalog Number
Maybridge	SP00324
Apollo Scientific	PC7533

Database	Data ID
PubChem	2777910

M. W.

435.1456496

CAS

53566-38-4

Similarity

N/A

ID: 99671

4-methoxy-3-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C9H7F3O3

Suppliers	Catalog Number
Alfa Aesar	H26140
Apollo Scientific	PC7534
Chemik	CHB22106

Database	Data ID
PubChem	24721070

M. W.

220.1452896

CAS

853771-90-1

Similarity

N/A

ID: 99672

1-chloro-2-fluoro-3-(methylsulfanyl)benzene

$$$$ Data

M. F.

C7H6ClFS

Suppliers	Catalog Number
Apollo Scientific	PC7535
A&J Pharmtech	AJA-O3124

Database	Data ID
PubChem	17859825

M. W.

176.6389432

CAS

214057-24-6

Similarity

N/A

ID: 99673

5-fluoro-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H5FN2O

Suppliers	Catalog Number
Apollo Scientific	PC7536

Database	Data ID
PubChem	2737331

M. W.

164.1365032

CAS

436-72-6

Similarity

N/A

ID: 99674

N-{[3-bromo-5-(trifluoromethyl)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C8H5BrF3NO

Suppliers	Catalog Number
Apollo Scientific	PC7537
Bide Pharmatech	BD239675

Database	Data ID
PubChem	16655528

M. W.

268.0306096

CAS

876132-77-3

Similarity

N/A

ID: 99675

4-(dihydroxyboranyl)-3-fluorobenzoic acid

$$$$ Data

M. F.

C7H6BFO4

Suppliers	Catalog Number
Alfa Aesar	H55857
Apollo Scientific	PC7538
A&J Pharmtech	AJA-O6985

Database	Data ID
PubChem	23134177

M. W.

183.9295432

CAS

851335-07-4

Similarity

N/A

ID: 99676

[(1R)-1-(4-fluorophenyl)ethyl](methyl)amine

$$$$ Data

M. F.

C9H12FN

Suppliers	Catalog Number
Apollo Scientific	PC7545

Database	Data ID
PubChem	8120204

M. W.

153.1966832

CAS

672906-67-1

Similarity

N/A

ID: 99677

3-chloro-4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}aniline

$$$$ Data

M. F.

C12H8ClF3N2O

Suppliers	Catalog Number
Apollo Scientific	PC7547

Database	Data ID
PubChem	43363974

M. W.

288.6529296

CAS

Similarity

N/A

ID: 99678

(1S,2R)-1-iodo-2-(pentafluoroethyl)cyclohexane

$$$$ Data

M. F.

C8H10F5I

Suppliers	Catalog Number
Apollo Scientific	PC7563

Database	Data ID
PubChem	2775179

M. W.

328.061486

CAS

Similarity

N/A

ID: 99679

bromo(3,5-difluorophenyl)zinc

$$$$ Data

M. F.

C6H3BrF2Zn

Suppliers	Catalog Number
Sigma Aldrich	533726
Alfa Aesar	H58773
Apollo Scientific	PC7565

Database	Data ID
PubChem	2778704

M. W.

258.3688264

CAS

307531-85-7

Similarity

N/A

ID: 99680

4-bromo-1,1,1,3,3-pentafluorobutane

$$$$ Data

M. F.

C4H4BrF5

Suppliers	Catalog Number
Apollo Scientific	PC7567

Database	Data ID
PubChem	44717690

M. W.

226.970576

CAS

933600-79-4

Similarity

N/A

ID: 99681

[4-(cyclopentylcarbamoyl)-3-fluorophenyl]boronic acid

$$$$ Data

M. F.

C12H15BFNO3

Suppliers	Catalog Number
Apollo Scientific	PC7573
Bide Pharmatech	BD230642

Database	Data ID
PubChem	44717683

M. W.

251.0618032

CAS

957034-70-7

Similarity

N/A

ID: 99682

[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C8H7BF4O3

Suppliers	Catalog Number
Apollo Scientific	PC7576
Bide Pharmatech	BD231540

Database	Data ID
PubChem	44717684

M. W.

237.9439928

CAS

850589-55-8

Similarity

N/A

ID: 99683

[4-fluoro-3-(2,2,2-trifluoroethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C8H7BF4O3

Suppliers	Catalog Number
Apollo Scientific	PC7577
Bide Pharmatech	BD231541

Database	Data ID
PubChem	44717685

M. W.

237.9439928

CAS

957034-62-7

Similarity

N/A

ID: 99684

[2-methyl-4-(trifluoromethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BF3O3

Suppliers	Catalog Number
Apollo Scientific	PC7578

Database	Data ID
PubChem	44717686

M. W.

219.9535296

CAS

850033-39-5

Similarity

N/A

ID: 99685

2-[2-(bromomethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxabo...

$$$$ Data

M. F.

C14H17BBrF3O3

Suppliers	Catalog Number
Apollo Scientific	PC7579

Database	Data ID
PubChem	44717687

M. W.

380.9931896

CAS

957066-13-6

Similarity

N/A

ID: 99686

2-bromo-N-(2,4-difluorophenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H8BrF2NO2S

Suppliers	Catalog Number
Alfa Aesar	H60870
Apollo Scientific	PC7584

Database	Data ID
PubChem	3723731

M. W.

348.1632264

CAS

941294-30-0

Similarity

N/A

ID: 99687

1,1,1-trifluoro-2-phenylbut-3-en-2-ol

$$$$ Data

M. F.

C10H9F3O

Suppliers	Catalog Number
Sigma Aldrich	556475
Apollo Scientific	PC7587

Database	Data ID
PubChem	2734576

M. W.

202.1730696

CAS

134418-70-5

Similarity

N/A

ID: 99688

methyl 3-amino-4,4,4-trifluorobutanoate hydrochloride

$$$$ Data

M. F.

C5H9ClF3NO2

Suppliers	Catalog Number
Sigma Aldrich	681458
Apollo Scientific	PC7588

Database	Data ID
PubChem	44717682

M. W.

207.5786696

CAS

169605-23-6

Similarity

N/A

ID: 99689

3,3,3-trifluoro-2-hydroxy-2-phenylpropanenitrile

$$$$ Data

M. F.

C9H6F3NO

Suppliers	Catalog Number
Sigma Aldrich	559393
Apollo Scientific	PC7589

Database	Data ID
PubChem	4607338

M. W.

201.1452496

CAS

20445-04-9

Similarity

N/A

ID: 99690

4-phenyl-2-(trifluoromethyl)butanoic acid

$$$$ Data

M. F.

C11H11F3O2

Suppliers	Catalog Number
Sigma Aldrich	674850
Apollo Scientific	PC7591

Database	Data ID
PubChem	16218289

M. W.

232.1990496

CAS

Similarity

N/A

ID: 99691

4-(4-fluorophenyl)-2-(trifluoromethyl)butanoic acid

$$$$ Data

M. F.

C11H10F4O2

Suppliers	Catalog Number
Sigma Aldrich	674826
Apollo Scientific	PC7592

Database	Data ID
PubChem	16218287

M. W.

250.1895128

CAS

932710-60-6

Similarity

N/A

ID: 99692

methyl 3-amino-2-(trifluoromethyl)propanoate

$$$$ Data

M. F.

C5H8F3NO2

Suppliers	Catalog Number
Sigma Aldrich	666270
Apollo Scientific	PC7593

Database	Data ID
PubChem	16218171

M. W.

171.1177296

CAS

914203-47-7

Similarity

N/A

ID: 99693

4-(4-bromophenyl)-2-(trifluoromethyl)butanoic acid

$$$$ Data

M. F.

C11H10BrF3O2

Suppliers	Catalog Number
Sigma Aldrich	674842
Apollo Scientific	PC7595

Database	Data ID
PubChem	16218288

M. W.

311.0951096

CAS

Similarity

N/A

ID: 99694

5-bromo-2-fluorobenzamide

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7597

Database	Data ID
PubChem	2778901

M. W.

218.0231032

CAS

Similarity

N/A

ID: 99695

3-bromo-4-fluorobenzamide

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Alfa Aesar	H59709
Apollo Scientific	PC7598

Database	Data ID
PubChem	2773329

M. W.

218.0231032

CAS

455-85-6

Similarity

N/A

ID: 99696

4-bromo-2-fluorobenzamide

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Alfa Aesar	H52336
Apollo Scientific	PC7599

Database	Data ID
PubChem	2773331

M. W.

218.0231032

CAS

292621-45-5

Similarity

N/A

ID: 99697

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

$$$$ Data

M. F.

C8H8FNO

Suppliers	Catalog Number
Apollo Scientific	PC7601
Life Chemicals	F1967-0176

Database	Data ID
PubChem	1581177

M. W.

153.1536232

CAS

369-43-7

Similarity

N/A

ID: 99698

2-amino-1-(2,4-difluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H7F2NO

Suppliers	Catalog Number
Apollo Scientific	PC7602
Bide Pharmatech	BD6124

Database	Data ID
PubChem	12063572

M. W.

171.1440864

CAS

643029-92-9

Similarity

N/A

ID: 99699

2-bromo-1-(4-fluoro-2-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C8H6BrFO2

Suppliers	Catalog Number
Apollo Scientific	PC7605

Database	Data ID
PubChem	26986071

M. W.

233.0344432

CAS

Similarity

N/A

ID: 99700

5-chloro-2-(2-fluorobenzoyl)aniline

$$$$ Data

M. F.

C13H9ClFNO

Suppliers	Catalog Number
Apollo Scientific	PC7608

Database	Data ID
PubChem	2735887

M. W.

249.6680632

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