Chembase list of 866358 unique molecular structures

(2S,3S)-2,3-bis(4-methylbenzoyloxy)butanedioic acid

$$$$ Data More

M. F.

C20H18O8

Suppliers	Catalog Number
Sigma Aldrich	302813 43822
MP Biomedicals	05206252
Matrix Scientific	067065

Database	Data ID
PubChem	263211

M. W.

386.35212

CAS

32634-68-7

Similarity

N/A

ID: 61802

(2R,3R)-2,3-bis(4-methylbenzoyloxy)butanedioic acid hydrate

$$$$ Data

M. F.

C20H20O9

Suppliers	Catalog Number
Matrix Scientific	067066
Bide Pharmatech	BD22354

Database	Data ID
PubChem	12297760

M. W.

404.3674

CAS

71607-31-3

Similarity

N/A

ID: 61803

sodium ethanesulfinate

$$$$ Data

M. F.

C2H5NaO2S

Suppliers	Catalog Number
Matrix Scientific	067067

Database	Data ID
PubChem	22986214

M. W.

116.11467

CAS

20035-08-9

Similarity

N/A

ID: 61804

methyl 5-chloropyridine-3-carboxylate

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Matrix Scientific	067068
Bide Pharmatech	BD158224

Database	Data ID
PubChem	15421663

M. W.

171.58104

CAS

51269-81-9

Similarity

N/A

ID: 61805

ethyl 5-chloropyridine-3-carboxylate

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Matrix Scientific	067069

Database	Data ID
PubChem	210009

M. W.

185.60762

CAS

20825-98-3

Similarity

N/A

ID: 61806

2-methylpropane-2-sulfinamide

$$$$ Data More

M. F.

C4H11NOS

Suppliers	Catalog Number
Sigma Aldrich	560871
Alfa Aesar	B25385
Matrix Scientific	067070

Database	Data ID
Wikipedia	Tert-Butanesulfinamide
PubChem	3382465

M. W.

121.20124

CAS

196929-78-9

Similarity

N/A

ID: 61807

6-chloro-5-fluoropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H3ClFNO2

Suppliers	Catalog Number
Matrix Scientific	067071
Bide Pharmatech	BD215244

Database	Data ID
PubChem	11412672

M. W.

175.5449232

CAS

860296-24-8

Similarity

N/A

ID: 61808

5-methylpyridine-3-carbonyl chloride

$$$$ Data

M. F.

C7H6ClNO

Suppliers	Catalog Number
Matrix Scientific	067072

Database	Data ID
PubChem	14538055

M. W.

155.58164

CAS

884494-95-5

Similarity

N/A

ID: 61809

2,6-dichloropyrimidine-4-carbonyl chloride

$$$$ Data More

M. F.

C5HCl3N2O

Suppliers	Catalog Number
Matrix Scientific	067073
Enamine	EN300-24330
Bide Pharmatech	BD68238

Database	Data ID
PubChem	11031133

M. W.

211.43324

CAS

26830-94-4

Similarity

N/A

ID: 61810

1-bromo-3-chloro-5-(difluoromethyl)benzene

$$$$ Data

M. F.

C7H4BrClF2

Suppliers	Catalog Number
Matrix Scientific	067074

Database	Data ID
PubChem	56587767

M. W.

241.4604664

CAS

Similarity

N/A

ID: 61811

1-(pyridin-3-yl)propan-1-one

Cust $$$$ Data More

M. F.

C8H9NO

Custom Synthesis Information

This compound is available through custom synthesis, please feel free to contact us for a quote.
Email: info@chembase.cn

Suppliers	Catalog Number
MP Biomedicals	05220690
Alfa Aesar	L09711
Matrix Scientific	067075

Database	Data ID
PubChem	74074

M. W.

135.16316

CAS

1570-48-5

Similarity

N/A

ID: 61812

3-bromo-5-fluoro-2-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C6H2BrF4N

Suppliers	Catalog Number
Matrix Scientific	067076

Database	Data ID
PubChem	56587809

M. W.

243.9843928

CAS

Similarity

N/A

ID: 61813

2-(4-bromophenyl)ethan-1-amine

$$$$ Data More

M. F.

C8H10BrN

Suppliers	Catalog Number
Sigma Aldrich	189308
Matrix Scientific	067077
Enamine	EN300-77249

Database	Data ID
PubChem	533915

M. W.

200.0757

CAS

58971-11-2

Similarity

N/A

ID: 61814

6-bromo-5-fluoro-1H-indole

$$$$ Data More

M. F.

C8H5BrFN

Suppliers	Catalog Number
Sigma Aldrich	691526
Matrix Scientific	067078
Bide Pharmatech	BD215357

Database	Data ID
PubChem	22262922

M. W.

214.0344032

CAS

259860-08-7

Similarity

N/A

ID: 61815

1,1,1-trifluoro-3-methylbutan-2-one

$$$$ Data

M. F.

C5H7F3O

Suppliers	Catalog Number
Matrix Scientific	067079

Database	Data ID
PubChem	238398

M. W.

140.1036896

CAS

382-03-6

Similarity

N/A

ID: 61816

1,1,1-trifluoro-3-methylbutan-2-amine hydrochloride

$$$$ Data

M. F.

C5H11ClF3N

Suppliers	Catalog Number
Matrix Scientific	067080

Database	Data ID
PubChem	46942220

M. W.

177.5957496

CAS

1582-18-9

Similarity

N/A

ID: 61817

[5-(trifluoromethyl)pyridin-2-yl]methanamine dihydrochloride

$$$$ Data

M. F.

C7H9Cl2F3N2

Suppliers	Catalog Number
Matrix Scientific	067081
Bide Pharmatech	BD241106

Database	Data ID
PubChem	56587812

M. W.

249.0609696

CAS

1350637-24-9

Similarity

N/A

ID: 61818

2-chloro-3-fluoro-6-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C6H2ClF4N

Suppliers	Catalog Number
Matrix Scientific	067082
Apollo Scientific	PC5376

Database	Data ID
PubChem	45790558

M. W.

199.5333928

CAS

1159512-39-6

Similarity

N/A

ID: 61819

2-bromo-5-methoxyphenol

$$$$ Data

M. F.

C7H7BrO2

Suppliers	Catalog Number
Matrix Scientific	067083
Bide Pharmatech	BD71980
A&J Pharmtech	AJA-O4369

Database	Data ID
PubChem	13493839

M. W.

203.03328

CAS

63604-94-4

Similarity

N/A

ID: 61820

1-tert-butyl 4-methyl 4-aminopiperidine-1,4-dicarboxylate

$$$$ Data

M. F.

C12H22N2O4

Suppliers	Catalog Number
Matrix Scientific	067084

Database	Data ID
PubChem	20871940

M. W.

258.31408

CAS

321997-89-1

Similarity

N/A

ID: 61821

1-(3-chlorophenyl)propane-1,2-dione

$$$$ Data

M. F.

C9H7ClO2

Suppliers	Catalog Number
Matrix Scientific	067085
TRC	C379645

Database	Data ID
PubChem	13585598

M. W.

182.60368

CAS

10557-17-2

Similarity

N/A

ID: 61822

N-(pyridin-2-yl)piperazine-1-carboxamide dihydrochloride

$$$$ Data

M. F.

C10H16Cl2N4O

Suppliers	Catalog Number
Matrix Scientific	067086

Database	Data ID
PubChem	56777523

M. W.

279.16624

CAS

Similarity

N/A

ID: 61823

5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data More

M. F.

C5H3F3N2O2

Suppliers	Catalog Number
Sigma Aldrich	733989
Matrix Scientific	067088 073501
Bide Pharmatech	BD159105 BD220116

Database	Data ID
PubChem	1473086

M. W.

180.0847296

CAS

543739-84-0

Similarity

N/A

ID: 61824

2-(trifluoromethyl)pyridin-4-amine

$$$$ Data

M. F.

C6H5F3N2

Suppliers	Catalog Number
Matrix Scientific	067089
Bide Pharmatech	BD74001
A&J Pharmtech	AJA-O21706

Database	Data ID
PubChem	10261388

M. W.

162.1125096

CAS

147149-98-2

Similarity

N/A

ID: 61825

(4,4-difluorocyclohexyl)methanol

$$$$ Data

M. F.

C7H12F2O

Suppliers	Catalog Number
Matrix Scientific	067090
A&J Pharmtech	AJA-O10183

Database	Data ID
PubChem	21184133

M. W.

150.1663864

CAS

178312-48-6

Similarity

N/A

ID: 61826

(1-bromo-2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C8H6BrF3

Suppliers	Catalog Number
Sigma Aldrich	737240
Matrix Scientific	067091

Database	Data ID
PubChem	14438709

M. W.

239.0324496

CAS

434-42-4

Similarity

N/A

ID: 61827

(4-methyl-1,2,5-oxadiazol-3-yl)methanamine

$$$$ Data

M. F.

C4H7N3O

Suppliers	Catalog Number
ChemBridge	2102337
Matrix Scientific	067098

Database	Data ID
PubChem	565861

M. W.

113.11788

CAS

321392-83-0

Similarity

N/A

ID: 61828

tert-butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate

$$$$ Data More

M. F.

C11H22N2O2

Suppliers	Catalog Number
Alfa Aesar	H52561
Matrix Scientific	067100
Apollo Scientific	OR15671

Database	Data ID
PubChem	1502023

M. W.

214.30458

CAS

140645-23-4

Similarity

N/A

ID: 61829

5-bromo-2-methylpyrimidine

$$$$ Data More

M. F.

C5H5BrN2

Suppliers	Catalog Number
ChemBridge	4044350
Matrix Scientific	067101
Apollo Scientific	OR59447

Database	Data ID
PubChem	14387744

M. W.

173.0106

CAS

7752-78-5

Similarity

N/A

ID: 61830

2,5-diphenylpyridine

$$$$ Data

M. F.

C17H13N

Suppliers	Catalog Number
Matrix Scientific	067102

Database	Data ID
PubChem	2762858

M. W.

231.29182

CAS

15827-72-2

Similarity

N/A

ID: 61831

4-bromo-1-methyl-1H-imidazole

$$$$ Data More

M. F.

C4H5BrN2

Suppliers	Catalog Number
Sigma Aldrich	711292
Matrix Scientific	067109
Apollo Scientific	OR1221

Database	Data ID
PubChem	1277653

M. W.

160.9999

CAS

25676-75-9

Similarity

N/A

ID: 61832

6-bromo-N-methylpyridin-2-amine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Matrix Scientific	067110
A&J Pharmtech	AJA-O21826

Database	Data ID
PubChem	13470315

M. W.

187.03718

CAS

89026-79-9

Similarity

N/A

ID: 61833

2-chloro-5-phenylpyrazine

$$$$ Data

M. F.

C10H7ClN2

Suppliers	Catalog Number
Matrix Scientific	067111

Database	Data ID
PubChem	1236664

M. W.

190.62898

CAS

25844-73-9

Similarity

N/A

ID: 61834

methyl 2-(difluoromethyl)benzoate

$$$$ Data

M. F.

C9H8F2O2

Suppliers	Catalog Number
Matrix Scientific	067112

Database	Data ID
PubChem	53435083

M. W.

186.1554264

CAS

1018678-48-2

Similarity

N/A

ID: 61835

ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C7H6F3NO2S

Suppliers	Catalog Number
Matrix Scientific	067113
Bide Pharmatech	BD161518

Database	Data ID
PubChem	15171126

M. W.

225.1882496

CAS

131748-96-4

Similarity

N/A

ID: 61836

2-(2-fluoro-4-hydroxyphenyl)acetic acid

$$$$ Data

M. F.

C8H7FO3

Suppliers	Catalog Number
Matrix Scientific	067114
Chemik	CHB15481
Bide Pharmatech	BD22201

Database	Data ID
PubChem	19361977

M. W.

170.1377832

CAS

68886-07-7

Similarity

N/A

ID: 61837

2-fluoro-5-methoxybenzonitrile

$$$$ Data More

M. F.

C8H6FNO

Suppliers	Catalog Number
Alfa Aesar	H32724
Matrix Scientific	067115
Apollo Scientific	PC8210

Database	Data ID
PubChem	2774546

M. W.

151.1377432

CAS

127667-01-0

Similarity

N/A

ID: 61838

1,2-oxazole-3-carboxylic acid

$$$$ Data More

M. F.

C4H3NO3

Suppliers	Catalog Number
ChemBridge	2402252
Alfa Aesar	H58438
Matrix Scientific	067116

Database	Data ID
PubChem	11286453

M. W.

113.07152

CAS

3209-71-0

Similarity

N/A

ID: 61839

1,2,4-thiadiazol-5-amine hydrochloride

$$$$ Data

M. F.

C2H4ClN3S

Suppliers	Catalog Number
Matrix Scientific	067120
A&J Pharmtech	AJA-O14537

Database	Data ID
PubChem	22014543

M. W.

137.59126

CAS

152513-91-2

Similarity

N/A

ID: 61840

(2-amino-4,6-dichloropyrimidin-5-yl)methanol

$$$$ Data

M. F.

C5H5Cl2N3O

Suppliers	Catalog Number
Matrix Scientific	067123
Key Organics	MF-0712

Database	Data ID
PubChem	66545193

M. W.

194.0187

CAS

850554-81-3

Similarity

N/A

ID: 61841

4-amino-5-ethynyl-2-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C10H5F3N2

Suppliers	Catalog Number
Matrix Scientific	067124
Key Organics	GD-0076

Database	Data ID
PubChem	66545172

M. W.

210.1553096

CAS

Similarity

N/A

ID: 61842

2-amino-5-formylbenzonitrile

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Matrix Scientific	067125
Key Organics	NF-0725

Database	Data ID
PubChem	15067194

M. W.

146.14604

CAS

22782-40-7

Similarity

N/A

ID: 61843

(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Matrix Scientific	067126
Key Organics	SS-4354

Database	Data ID
PubChem	12851885

M. W.

127.14116

CAS

33294-81-4

Similarity

N/A

ID: 61844

(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Matrix Scientific	067127
Key Organics	SS-4355

Database	Data ID
PubChem	11073435

M. W.

127.14116

CAS

33294-81-4

Similarity

N/A

ID: 61845

2-(benzylamino)-5-bromopyridine-3-carboxylic acid

$$$$ Data

M. F.

C13H11BrN2O2

Suppliers	Catalog Number
Matrix Scientific	067128
Key Organics	GD-0090

Database	Data ID
PubChem	49837738

M. W.

307.14264

CAS

Similarity

N/A

ID: 61846

benzyl 4-{[(3,4-dimethoxyphenyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate

$$$$ Data

M. F.

C22H28N2O5

Suppliers	Catalog Number
Matrix Scientific	067129
Key Organics	LF-0061

Database	Data ID
PubChem	66545180

M. W.

400.46812

CAS

Similarity

N/A

ID: 61847

5-(benzyloxy)-6-chloro-4-iodopyridine-2-carbaldehyde

$$$$ Data

M. F.

C13H9ClINO2

Suppliers	Catalog Number
Matrix Scientific	067130
Key Organics	HD-0049

Database	Data ID
PubChem	66545173

M. W.

373.57353

CAS

Similarity

N/A

ID: 61848

4-(benzyloxy)-3-(methoxycarbonyl)anilinium chloride

$$$$ Data

M. F.

C15H15ClNO3

Suppliers	Catalog Number
Matrix Scientific	067131
Key Organics	HD-0021

Database	Data ID
PubChem	66545175

M. W.

292.7375

CAS

Similarity

N/A

ID: 61849

3-(benzyloxy)-4-nitrobenzoic acid

$$$$ Data

M. F.

C14H11NO5

Suppliers	Catalog Number
Matrix Scientific	067132
Key Organics	GD-0051

Database	Data ID
PubChem	22504043

M. W.

273.24084

CAS

14617-29-9

Similarity

N/A

ID: 61850

[2,6-bis(trifluoromethyl)pyridin-4-yl]methanol

$$$$ Data

M. F.

C8H5F6NO

Suppliers	Catalog Number
Matrix Scientific	067133
Key Organics	NF-0733

Database	Data ID
PubChem	66545218

M. W.

245.1218192

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