Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C13H14N2O

Suppliers	Catalog Number
Apollo Scientific	OR21861
Enamine	EN300-50033

Database	Data ID
PubChem	2775051

M. W.

214.26306

CAS

175136-23-9

Similarity

N/A

ID: 79402

1,2,3,4,5-pentachloro-6-iodobenzene

$$$$ Data

M. F.

C6Cl5I

Suppliers	Catalog Number
Maybridge	BTB09644
Apollo Scientific	OR21862

Database	Data ID
PubChem	140088

M. W.

376.23367

CAS

16478-18-5

Similarity

N/A

ID: 79403

pentachlorobenzonitrile

$$$$ Data

M. F.

C7Cl5N

Suppliers	Catalog Number
Apollo Scientific	OR21863
A&J Pharmtech	AJA-O10266

Database	Data ID
PubChem	30363

M. W.

275.3466

CAS

20925-85-3

Similarity

N/A

ID: 79404

4-[5-(prop-2-en-1-ylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]phenyl 3-chloro-2,2-dimet...

$$$$ Data

M. F.

C15H17ClN4O2S

Suppliers	Catalog Number
Apollo Scientific	OR21865

Database	Data ID
PubChem	2775055

M. W.

352.83908

CAS

Similarity

N/A

ID: 79405

ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate

$$$$ Data

M. F.

C12H8Br2O4

Suppliers	Catalog Number
Apollo Scientific	OR21866

Database	Data ID
PubChem	1241308

M. W.

375.99752

CAS

2199-89-5

Similarity

N/A

ID: 79406

3-chloro-N-{2-[(diphenyl-1,3-oxazol-2-yl)sulfanyl]ethyl}-2,2-dimethylpropanamide

$$$$ Data

M. F.

C22H23ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21867

Database	Data ID
PubChem	2775058

M. W.

414.94822

CAS

Similarity

N/A

ID: 79407

4-[5-(prop-2-en-1-ylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]phenyl 2,3,3-trichloropro...

$$$$ Data

M. F.

C13H9Cl3N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR21868

Database	Data ID
PubChem	2775060

M. W.

391.66016

CAS

Similarity

N/A

ID: 79408

6-bromo-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile

$$$$ Data

M. F.

C10H7BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR21869

Database	Data ID
PubChem	2775061

M. W.

267.07878

CAS

107955-83-9

Similarity

N/A

ID: 79409

2,3,3-trichloro-N-[6-(pyridin-2-ylsulfanyl)pyridin-3-yl]prop-2-enamide

$$$$ Data

M. F.

C13H8Cl3N3OS

Suppliers	Catalog Number
Apollo Scientific	OR21870

Database	Data ID
PubChem	2775063

M. W.

360.64612

CAS

Similarity

N/A

ID: 79410

{[(4,6-dimethoxypyrimidin-2-yl)amino]methylidene}amino 3-chloro-2,2-dimethylprop...

$$$$ Data

M. F.

C12H17ClN4O4

Suppliers	Catalog Number
Apollo Scientific	OR21873

Database	Data ID
PubChem	9582120

M. W.

316.74078

CAS

Similarity

N/A

ID: 79411

N'-hydroxypyridine-4-carboximidamide

$$$$ Data More

M. F.

C6H7N3O

Suppliers	Catalog Number
Sigma Aldrich	542806
Apollo Scientific	OR21874
Life Chemicals	F0902-6331

Database	Data ID
PubChem	5355713

M. W.

137.13928

CAS

1594-57-6

Similarity

N/A

ID: 79412

methyl 2-hydroxyacetate

$$$$ Data More

M. F.

C3H6O3

Suppliers	Catalog Number
Sigma Aldrich	325260 50630
MP Biomedicals	05213494
Alfa Aesar	A17870

Database	Data ID
PubChem	66774

M. W.

90.07794

CAS

96-35-5

Similarity

N/A

ID: 79413

1,2-dimethyl-4-nitro-1H-imidazole

$$$$ Data

M. F.

C5H7N3O2

Suppliers	Catalog Number
Apollo Scientific	OR21877
InterBioScreen	BB_SC-10164

Database	Data ID
PubChem	25791

M. W.

141.12798

CAS

13230-04-1

Similarity

N/A

ID: 79414

2-methyl-4-nitro-1H-imidazole

$$$$ Data More

M. F.

C4H5N3O2

Suppliers	Catalog Number
Sigma Aldrich	136255
ChemBridge	3020222
MP Biomedicals	05225229

Database	Data ID
PubChem	12760

M. W.

127.1014

CAS

88054-22-2

Similarity

N/A

ID: 79415

3-(5-bromo-2-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile

$$$$ Data

M. F.

C7H7BrN4O2

Suppliers	Catalog Number
Apollo Scientific	OR21879

Database	Data ID
PubChem	2775069

M. W.

259.06008

CAS

139975-78-3

Similarity

N/A

ID: 79416

3,5-dichloro-2-hydroxybenzoic acid

$$$$ Data More

M. F.

C7H4Cl2O3

Suppliers	Catalog Number
Sigma Aldrich	254681
MP Biomedicals	05214968
Alfa Aesar	B23641

Database	Data ID
PubChem	9445

M. W.

207.01086

CAS

320-72-9

Similarity

N/A

ID: 79417

3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0^{2,6}]dec-8-en-4-yl 3-chloro-2,2-dimethyl...

$$$$ Data

M. F.

C13H14ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR21881

Database	Data ID
PubChem	2775071

M. W.

299.70696

CAS

Similarity

N/A

ID: 79418

2,3,6-trichloroquinoxaline

$$$$ Data More

M. F.

C8H3Cl3N2

Suppliers	Catalog Number
Apollo Scientific	OR21882
Chemik	CHH219301
Bide Pharmatech	BD65238

Database	Data ID
PubChem	18070

M. W.

233.48182

CAS

2958-87-4

Similarity

N/A

ID: 79419

methyl 2-phenoxypyridine-3-carboxylate

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR21883

Database	Data ID
PubChem	215890

M. W.

229.23134

CAS

36701-88-9

Similarity

N/A

ID: 79420

3-chloro-N-(4-{5-[4-(3-chloro-2,2-dimethylpropanamido)phenyl]-1,3,4-oxadiazol-2-...

$$$$ Data

M. F.

C24H26Cl2N4O3

Suppliers	Catalog Number
Apollo Scientific	OR21884

Database	Data ID
PubChem	2775074

M. W.

489.39424

CAS

Similarity

N/A

ID: 79421

3-chloro-6-{2-[(2-methyl-1H-imidazol-4-yl)methylidene]hydrazin-1-yl}pyridazine

$$$$ Data

M. F.

C9H9ClN6

Suppliers	Catalog Number
Apollo Scientific	OR21885

Database	Data ID
PubChem	71299277

M. W.

236.66096

CAS

Similarity

N/A

ID: 79422

3-chloro-6-{2-[(4-methyl-1H-imidazol-5-yl)methylidene]hydrazin-1-yl}pyridazine

$$$$ Data

M. F.

C9H9ClN6

Suppliers	Catalog Number
Apollo Scientific	OR21886

Database	Data ID
PubChem	6285308

M. W.

236.66096

CAS

Similarity

N/A

ID: 79423

3-chloro-6-{2-[(2-phenyl-1H-imidazol-4-yl)methylidene]hydrazin-1-yl}pyridazine

$$$$ Data

M. F.

C14H11ClN6

Suppliers	Catalog Number
Apollo Scientific	OR21887

Database	Data ID
PubChem	44118879

M. W.

298.73034

CAS

Similarity

N/A

ID: 79424

2-methyl-4-nitro-1-(propan-2-yl)-1H-imidazole

$$$$ Data

M. F.

C7H11N3O2

Suppliers	Catalog Number
Apollo Scientific	OR21889

Database	Data ID
PubChem	2775077

M. W.

169.18114

CAS

35179-52-3

Similarity

N/A

ID: 79425

5-bromo-2-methyl-4-nitro-1H-imidazole

$$$$ Data More

M. F.

C4H4BrN3O2

Suppliers	Catalog Number
ChemBridge	3020244
Maybridge	BTB09770
Apollo Scientific	OR21890

Database	Data ID
PubChem	29322

M. W.

205.99746

CAS

18874-52-7

Similarity

N/A

ID: 79426

4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one

$$$$ Data

M. F.

C8H11N3O3

Suppliers	Catalog Number
Maybridge	BTB09772
Apollo Scientific	OR21891

Database	Data ID
PubChem	2775078

M. W.

197.19124

CAS

126664-28-6

Similarity

N/A

ID: 79427

bromocyclododecane

$$$$ Data

M. F.

C12H23Br

Suppliers	Catalog Number
Maybridge	BTB09774
Apollo Scientific	OR21892

Database	Data ID
PubChem	2775080

M. W.

247.21502

CAS

7795-35-9

Similarity

N/A

ID: 79428

3-(2-oxocyclododecyl)propanenitrile

$$$$ Data

M. F.

C15H25NO

Suppliers	Catalog Number
Maybridge	BTB09775
Apollo Scientific	OR21893

Database	Data ID
PubChem	2775082

M. W.

235.3651

CAS

62940-04-9

Similarity

N/A

ID: 79429

3-(2-oxocyclododecyl)propanoic acid

$$$$ Data

M. F.

C15H26O3

Suppliers	Catalog Number
Maybridge	BTB09776
Apollo Scientific	OR21894

Database	Data ID
PubChem	2775083

M. W.

254.36514

CAS

22575-75-3

Similarity

N/A

ID: 79430

N-(2-heptylcyclopentylidene)hydroxylamine

$$$$ Data

M. F.

C12H23NO

Suppliers	Catalog Number
Apollo Scientific	OR21896

Database	Data ID
PubChem	5708545

M. W.

197.31712

CAS

165385-93-3

Similarity

N/A

ID: 79431

1-(4-heptylphenyl)ethan-1-one

$$$$ Data

M. F.

C15H22O

Suppliers	Catalog Number
Alfa Aesar	L08959
Apollo Scientific	OR21899

Database	Data ID
PubChem	98879

M. W.

218.33458

CAS

37593-03-6

Similarity

N/A

ID: 79432

1-(4-nonylphenyl)ethan-1-one

$$$$ Data

M. F.

C17H26O

Suppliers	Catalog Number
Alfa Aesar	A12831
Maybridge	BTB09789
Apollo Scientific	OR21900

Database	Data ID
PubChem	142175

M. W.

246.38774

CAS

37593-05-8

Similarity

N/A

ID: 79433

1-(4-decylphenyl)ethan-1-one

$$$$ Data

M. F.

C18H28O

Suppliers	Catalog Number
Apollo Scientific	OR21901

Database	Data ID
PubChem	236813

M. W.

260.41432

CAS

37593-06-9

Similarity

N/A

ID: 79434

1-bromo-4-propoxybenzene

$$$$ Data

M. F.

C9H11BrO

Suppliers	Catalog Number
Alfa Aesar	A11462
Apollo Scientific	OR21903

Database	Data ID
PubChem	2734198

M. W.

215.08704

CAS

39969-56-7

Similarity

N/A

ID: 79435

1-bromo-4-butoxybenzene

$$$$ Data

M. F.

C10H13BrO

Suppliers	Catalog Number
Maybridge	BTB09793
Apollo Scientific	OR21904

Database	Data ID
PubChem	142395

M. W.

229.11362

CAS

39969-57-8

Similarity

N/A

ID: 79436

1-bromo-4-(hexyloxy)benzene

$$$$ Data

M. F.

C12H17BrO

Suppliers	Catalog Number
Alfa Aesar	B20085
Maybridge	BTB09795
Apollo Scientific	OR21905

Database	Data ID
PubChem	520492

M. W.

257.16678

CAS

30752-19-3

Similarity

N/A

ID: 79437

1-bromo-4-(heptyloxy)benzene

$$$$ Data

M. F.

C13H19BrO

Suppliers	Catalog Number
Alfa Aesar	B24844
Maybridge	BTB09796
Apollo Scientific	OR21906

Database	Data ID
PubChem	599102

M. W.

271.19336

CAS

123732-04-7

Similarity

N/A

ID: 79438

1-bromo-4-(octyloxy)benzene

$$$$ Data

M. F.

C14H21BrO

Suppliers	Catalog Number
Alfa Aesar	A13334
Apollo Scientific	OR21907

Database	Data ID
PubChem	145298

M. W.

285.21994

CAS

96693-05-9

Similarity

N/A

ID: 79439

4-(4-octylphenyl)-4-oxobutanoic acid

$$$$ Data

M. F.

C18H26O3

Suppliers	Catalog Number
Apollo Scientific	OR21909

Database	Data ID
PubChem	2775087

M. W.

290.39724

CAS

64779-10-8

Similarity

N/A

ID: 79440

4-oxo-4-(4-pentylphenyl)butanoic acid

$$$$ Data

M. F.

C15H20O3

Suppliers	Catalog Number
Apollo Scientific	OR21910
Enamine	EN300-17173

Database	Data ID
PubChem	2063246

M. W.

248.3175

CAS

64779-07-3

Similarity

N/A

ID: 79441

4-oxo-4-(4-propylphenyl)butanoic acid

$$$$ Data

M. F.

C13H16O3

Suppliers	Catalog Number
Apollo Scientific	OR21911
Enamine	EN300-17227

Database	Data ID
PubChem	725542

M. W.

220.26434

CAS

57821-78-0

Similarity

N/A

ID: 79442

4-(4-ethylphenyl)-4-oxobutanoic acid

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Alfa Aesar	B20767
Apollo Scientific	OR21912

Database	Data ID
PubChem	316983

M. W.

206.23776

CAS

49594-75-4

Similarity

N/A

ID: 79443

N-{1-azabicyclo[2.2.2]octan-3-ylidene}hydroxylamine hydrochloride

$$$$ Data

M. F.

C7H13ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21913

Database	Data ID
PubChem	5708546

M. W.

176.64392

CAS

76883-37-9

Similarity

N/A

ID: 79444

(2-heptylcyclopentylidene)amino 2,2-dimethylpropanoate

$$$$ Data

M. F.

C17H31NO2

Suppliers	Catalog Number
Apollo Scientific	OR21914

Database	Data ID
PubChem	5708547

M. W.

281.43354

CAS

Similarity

N/A

ID: 79445

3,5-dinitrobenzonitrile

$$$$ Data More

M. F.

C7H3N3O4

Suppliers	Catalog Number
Sigma Aldrich	D195006
MP Biomedicals	05214712
Alfa Aesar	A15223

Database	Data ID
PubChem	20062

M. W.

193.11642

CAS

4110-35-4

Similarity

N/A

ID: 79446

1-{4-[(3,4-dichlorophenyl)methoxy]-3-nitrophenyl}ethan-1-one

$$$$ Data

M. F.

C15H11Cl2NO4

Suppliers	Catalog Number
Apollo Scientific	OR21916

Database	Data ID
PubChem	2775092

M. W.

340.15814

CAS

175136-25-1

Similarity

N/A

ID: 79447

4-propylcyclohexan-1-ol

$$$$ Data

M. F.

C9H18O

Suppliers	Catalog Number
Apollo Scientific	OR21917

Database	Data ID
PubChem	2775094

M. W.

142.23862

CAS

52204-65-6

Similarity

N/A

ID: 79448

4-(dihexylamino)benzoic acid

$$$$ Data

M. F.

C19H31NO2

Suppliers	Catalog Number
Maybridge	BTB09858
Apollo Scientific	OR21918

Database	Data ID
PubChem	2775096

M. W.

305.45494

CAS

134690-32-7

Similarity

N/A

ID: 79449

4-propoxybenzonitrile

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Maybridge	BTB09860
Apollo Scientific	OR21919
Enamine	EN300-61505

Database	Data ID
PubChem	322939

M. W.

161.20044

CAS

60758-84-1

Similarity

N/A

ID: 79450

5-methoxyquinazoline-2,4-diamine

$$$$ Data

M. F.

C9H10N4O

Suppliers	Catalog Number
Apollo Scientific	OR2192

Database	Data ID
PubChem	213752

M. W.

190.2019

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