Chembase list of 866358 unique molecular structures

tert-butyl 1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

$$$$ Data

M. F.

C18H24N2O3

Suppliers	Catalog Number
Matrix Scientific	069376

Database	Data ID
PubChem	57417007

M. W.

316.39476

CAS

1014114-59-0

Similarity

N/A

ID: 64052

3,4-dihydrospiro[1-benzopyran-2,4'-piperidine]-4-one

$$$$ Data

M. F.

C13H15NO2

Suppliers	Catalog Number
Matrix Scientific	069377
Life Chemicals	F1923-0043
A&J Pharmtech	AJA-O30180

Database	Data ID
PubChem	2050002

M. W.

217.2637

CAS

136081-84-0

Similarity

N/A

ID: 64053

tert-butyl N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate

$$$$ Data

M. F.

C9H14N2O3S

Suppliers	Catalog Number
Matrix Scientific	069378

Database	Data ID
PubChem	53397352

M. W.

230.28406

CAS

1001419-37-9

Similarity

N/A

ID: 64054

tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate

$$$$ Data

M. F.

C9H12N2O3S

Suppliers	Catalog Number
Matrix Scientific	069379
A&J Pharmtech	AJA-O20652

Database	Data ID
PubChem	53393345

M. W.

228.26818

CAS

391668-77-2

Similarity

N/A

ID: 64055

dimethyl-1,2-oxazol-3-amine

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
Matrix Scientific	069380
Bide Pharmatech	BD18258
A&J Pharmtech	AJA-O12158 AJA-O12830

Database	Data ID
PubChem	84148

M. W.

112.12982

CAS

13999-39-8

Similarity

N/A

ID: 64056

1,1-diethoxy-2-iodoethane

$$$$ Data

M. F.

C6H13IO2

Suppliers	Catalog Number
Matrix Scientific	069381

Database	Data ID
PubChem	12504791

M. W.

244.07069

CAS

51806-20-3

Similarity

N/A

ID: 64057

5-bromo-2-chloro-1,3-thiazole

$$$$ Data

M. F.

C3HBrClNS

Suppliers	Catalog Number
Matrix Scientific	069382

Database	Data ID
PubChem	11194968

M. W.

198.46874

CAS

3034-56-8

Similarity

N/A

ID: 64058

(1-aminocyclopropyl)methanol

$$$$ Data

M. F.

C4H9NO

Suppliers	Catalog Number
Matrix Scientific	069383
Bide Pharmatech	BD56453

Database	Data ID
PubChem	14146220

M. W.

87.12036

CAS

107017-72-1

Similarity

N/A

ID: 64059

thietane-3-carboxylic acid

$$$$ Data

M. F.

C4H6O2S

Suppliers	Catalog Number
Matrix Scientific	069384

Database	Data ID
PubChem	23270602

M. W.

118.15424

CAS

765-55-9

Similarity

N/A

ID: 64060

tert-butyl N-carbamothioylcarbamate

$$$$ Data

M. F.

C6H12N2O2S

Suppliers	Catalog Number
Sigma Aldrich	592765
Matrix Scientific	069385

Database	Data ID
PubChem	4095660

M. W.

176.23668

CAS

268551-65-1

Similarity

N/A

ID: 64061

(1-benzyl-3-fluoropiperidin-3-yl)methanamine

$$$$ Data

M. F.

C13H19FN2

Suppliers	Catalog Number
Matrix Scientific	069386

Database	Data ID
PubChem	49761226

M. W.

222.3017632

CAS

1185749-68-1

Similarity

N/A

ID: 64062

tert-butyl 3-(aminomethyl)-3-fluoropiperidine-1-carboxylate

$$$$ Data

M. F.

C11H21FN2O2

Suppliers	Catalog Number
Matrix Scientific	069387

Database	Data ID
PubChem	56973580

M. W.

232.2950432

CAS

1219832-36-6

Similarity

N/A

ID: 64063

1-bromo-3-(ethanesulfonyl)benzene

$$$$ Data

M. F.

C8H9BrO2S

Suppliers	Catalog Number
Matrix Scientific	069388
Bide Pharmatech	BD229647

Database	Data ID
PubChem	57477908

M. W.

249.12486

CAS

153435-82-6

Similarity

N/A

ID: 64064

3-bromo-5-iodo-1H-indazole

$$$$ Data

M. F.

C7H4BrIN2

Suppliers	Catalog Number
Matrix Scientific	069389

Database	Data ID
PubChem	24728243

M. W.

322.92853

CAS

885519-16-4

Similarity

N/A

ID: 64065

tert-butyl 1-oxo-7-azaspiro[3.5]nonane-7-carboxylate

$$$$ Data

M. F.

C13H21NO3

Suppliers	Catalog Number
Matrix Scientific	069390

Database	Data ID
PubChem	21983962

M. W.

239.31074

CAS

849203-60-7

Similarity

N/A

ID: 64066

2,3-dihydro-1$l^{6}-thiophene-1,1-dione

$$$$ Data

M. F.

C4H6O2S

Suppliers	Catalog Number
Matrix Scientific	069391
InterBioScreen	BB_SC-4484
Enamine	EN300-16757

Database	Data ID
PubChem	14497

M. W.

118.15424

CAS

1192-16-1

Similarity

N/A

ID: 64067

tert-butyl 1-oxo-6-azaspiro[3.4]octane-6-carboxylate

$$$$ Data

M. F.

C12H19NO3

Suppliers	Catalog Number
Matrix Scientific	069392

Database	Data ID
PubChem	56962205

M. W.

225.28416

CAS

1251010-17-9

Similarity

N/A

ID: 64068

[4-(benzyloxy)-1-[(tert-butoxy)carbonyl]-1H-indol-2-yl]boronic acid

$$$$ Data More

M. F.

C20H22BNO5

Suppliers	Catalog Number
Alfa Aesar	H52846
Matrix Scientific	069393
Apollo Scientific	OR5711

Database	Data ID
PubChem	2763172

M. W.

367.20338

CAS

850568-52-4

Similarity

N/A

ID: 64069

tert-butyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate

$$$$ Data

M. F.

C13H21NO3

Suppliers	Catalog Number
Matrix Scientific	069394
Bide Pharmatech	BD216102

Database	Data ID
PubChem	11195798

M. W.

239.31074

CAS

203661-69-2

Similarity

N/A

ID: 64070

(3-phenylphenyl)boronic acid

$$$$ Data More

M. F.

C12H11BO2

Suppliers	Catalog Number
Sigma Aldrich	542199
ChemBridge	3201028
Alfa Aesar	L17552

Database	Data ID
PubChem	2734315

M. W.

198.02554

CAS

5122-95-2

Similarity

N/A

ID: 64071

(4-bromo-2-fluorophenyl)boronic acid

$$$$ Data More

M. F.

C6H5BBrFO2

Suppliers	Catalog Number
Alfa Aesar	L17468
Matrix Scientific	069396
Apollo Scientific	PC4072

Database	Data ID
PubChem	2773333

M. W.

218.8161032

CAS

216393-64-5

Similarity

N/A

ID: 64072

(4-bromo-3-fluorophenyl)boronic acid

$$$$ Data More

M. F.

C6H5BBrFO2

Suppliers	Catalog Number
Alfa Aesar	L18514
Matrix Scientific	069397
Apollo Scientific	PC4073

Database	Data ID
PubChem	2773335

M. W.

218.8161032

CAS

374790-97-3

Similarity

N/A

ID: 64073

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

$$$$ Data More

M. F.

C13H18BBrO2

Suppliers	Catalog Number
Sigma Aldrich	718505
Matrix Scientific	069398
Apollo Scientific	OR10380

Database	Data ID
PubChem	2773283

M. W.

296.99582

CAS

214360-74-4

Similarity

N/A

ID: 64074

3-azidopropanoic acid

$$$$ Data

M. F.

C3H5N3O2

Suppliers	Catalog Number
Matrix Scientific	069399
Enamine	EN300-108329

Database	Data ID
PubChem	155604

M. W.

115.0907

CAS

18523-47-2

Similarity

N/A

ID: 64075

4-azidobutanoic acid

$$$$ Data

M. F.

C4H7N3O2

Suppliers	Catalog Number
Matrix Scientific	069400

Database	Data ID
PubChem	11804783

M. W.

129.11728

CAS

54447-68-6

Similarity

N/A

ID: 64076

5-azidopentanoic acid

$$$$ Data

M. F.

C5H9N3O2

Suppliers	Catalog Number
Matrix Scientific	069401

Database	Data ID
PubChem	11116171

M. W.

143.14386

CAS

79583-98-5

Similarity

N/A

ID: 64077

ethyl 2-(3-aminooxetan-3-yl)acetate

$$$$ Data

M. F.

C7H13NO3

Suppliers	Catalog Number
Sigma Aldrich	L500003
Matrix Scientific	069402

Database	Data ID
PubChem	55280628

M. W.

159.18302

CAS

1207175-54-9

Similarity

N/A

ID: 64078

6-azidohexanoic acid

$$$$ Data

M. F.

C6H11N3O2

Suppliers	Catalog Number
Matrix Scientific	069403

Database	Data ID
PubChem	11040949

M. W.

157.17044

CAS

79598-53-1

Similarity

N/A

ID: 64079

tert-butyl 3,6-diazabicyclo[3.2.1]octane-6-carboxylate

$$$$ Data

M. F.

C11H20N2O2

Suppliers	Catalog Number
Matrix Scientific	069404

Database	Data ID
PubChem	53488449

M. W.

212.2887

CAS

194032-49-0

Similarity

N/A

ID: 64080

6-azidohexan-1-amine

$$$$ Data

M. F.

C6H14N4

Suppliers	Catalog Number
Matrix Scientific	069405

Database	Data ID
PubChem	12034568

M. W.

142.20216

CAS

349553-73-7

Similarity

N/A

ID: 64081

4-azidobutan-1-amine

$$$$ Data

M. F.

C4H10N4

Suppliers	Catalog Number
Matrix Scientific	069406

Database	Data ID
PubChem	150111

M. W.

114.149

CAS

88192-20-5

Similarity

N/A

ID: 64082

tert-butyl 2,5-diazaspiro[3.4]octane-2-carboxylate

$$$$ Data

M. F.

C11H20N2O2

Suppliers	Catalog Number
Matrix Scientific	069407
Bide Pharmatech	BD235219

Database	Data ID
PubChem	50999101

M. W.

212.2887

CAS

1086398-02-8

Similarity

N/A

ID: 64083

tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate

$$$$ Data

M. F.

C10H18N2O2

Suppliers	Catalog Number
Matrix Scientific	069408
Enamine	EN300-95828

Database	Data ID
PubChem	56828076

M. W.

198.26212

CAS

1330763-95-5

Similarity

N/A

ID: 64084

2-tert-butyl 3,3-diethyl oxaziridine-2,3,3-tricarboxylate

$$$$ Data

M. F.

C12H19NO7

Suppliers	Catalog Number
Matrix Scientific	069409

Database	Data ID
PubChem	11426268

M. W.

289.28176

CAS

462100-44-3

Similarity

N/A

ID: 64085

triphenyl-$l^{5}-phosphanimine

$$$$ Data

M. F.

C18H16NP

Suppliers	Catalog Number
Matrix Scientific	069410

Database	Data ID
PubChem	75235

M. W.

277.300101

CAS

2240-47-3

Similarity

N/A

ID: 64086

methyl 3,3,3-trifluoro-2-iminopropanoate

$$$$ Data

M. F.

C4H4F3NO2

Suppliers	Catalog Number
Matrix Scientific	069411

Database	Data ID
PubChem	71299018

M. W.

155.0752696

CAS

Similarity

N/A

ID: 64087

tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate

$$$$ Data

M. F.

C23H24NO2P

Suppliers	Catalog Number
Matrix Scientific	069412
Bide Pharmatech	BD34605

Database	Data ID
PubChem	2756802

M. W.

377.415921

CAS

68014-21-1

Similarity

N/A

ID: 64088

ethyl (2S)-1-(4-methylbenzenesulfonyl)-2-(trifluoromethyl)aziridine-2-carboxylat...

$$$$ Data

M. F.

C13H14F3NO4S

Suppliers	Catalog Number
Matrix Scientific	069413

Database	Data ID
PubChem	56837208

M. W.

337.3147696

CAS

644976-57-8

Similarity

N/A

ID: 64089

(2-methyl-1,3-thiazol-5-yl)methanol

$$$$ Data

M. F.

C5H7NOS

Suppliers	Catalog Number
Matrix Scientific	069414
Enamine	EN300-51639

Database	Data ID
PubChem	12808792

M. W.

129.18018

CAS

56012-38-5

Similarity

N/A

ID: 64090

(3-{[(tert-butoxy)carbonyl]amino}phenyl)boronic acid

$$$$ Data More

M. F.

C11H16BNO4

Suppliers	Catalog Number
Sigma Aldrich	578851
Alfa Aesar	H27258
Matrix Scientific	069415

Database	Data ID
PubChem	2773228

M. W.

237.06004

CAS

380430-68-2

Similarity

N/A

ID: 64091

tert-butyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

$$$$ Data More

M. F.

C17H26BNO4

Suppliers	Catalog Number
Sigma Aldrich	562351
Alfa Aesar	L19653
Matrix Scientific	069416

Database	Data ID
PubChem	2734617

M. W.

319.20364

CAS

330793-01-6

Similarity

N/A

ID: 64092

{3-[(tert-butoxy)carbonyl]phenyl}boronic acid

$$$$ Data More

M. F.

C11H15BO4

Suppliers	Catalog Number
Matrix Scientific	069417
Apollo Scientific	OR10391
Bide Pharmatech	BD13297

Database	Data ID
PubChem	2773299

M. W.

222.0454

CAS

220210-56-0

Similarity

N/A

ID: 64093

1H-imidazol-5-ylmethanol hydrochloride

$$$$ Data More

M. F.

C4H7ClN2O

Suppliers	Catalog Number
Sigma Aldrich	H1877 219908
MP Biomedicals	02105575
Matrix Scientific	069418

Database	Data ID
PubChem	122926

M. W.

134.56418

CAS

32673-41-9

Similarity

N/A

ID: 64094

[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol

$$$$ Data

M. F.

C23H20N2O

Suppliers	Catalog Number
Matrix Scientific	069419
Apollo Scientific	OR10597
A&J Pharmtech	AJA-O33900

Database	Data ID
PubChem	382182

M. W.

340.4177

CAS

33769-07-2

Similarity

N/A

ID: 64095

4-bromo-1,3-thiazole-2-carbaldehyde

$$$$ Data More

M. F.

C4H2BrNOS

Suppliers	Catalog Number
Sigma Aldrich	699284
Matrix Scientific	069420
Apollo Scientific	OR3275

Database	Data ID
PubChem	2763187

M. W.

192.03378

CAS

167366-05-4

Similarity

N/A

ID: 64096

4-(trifluoromethyl)-1,3-oxazol-2-amine

$$$$ Data More

M. F.

C4H3F3N2O

Suppliers	Catalog Number
Matrix Scientific	069421
Apollo Scientific	PC5206
Bide Pharmatech	BD28479

Database	Data ID
PubChem	2763188

M. W.

152.0746296

CAS

35629-71-1

Similarity

N/A

ID: 64097

2-methyl-1,3-thiazole-4-carbaldehyde

$$$$ Data More

M. F.

C5H5NOS

Suppliers	Catalog Number
Sigma Aldrich	717231
Matrix Scientific	069422
Maybridge	CC05704

Database	Data ID
PubChem	2763191

M. W.

127.1643

CAS

20949-84-2

Similarity

N/A

ID: 64098

4-(chloromethyl)-2-(propan-2-yl)-1,3-thiazole

$$$$ Data More

M. F.

C7H10ClNS

Suppliers	Catalog Number
Matrix Scientific	069423
Apollo Scientific	OR15567
Enamine	EN300-39380

Database	Data ID
PubChem	2763193

M. W.

175.679

CAS

40516-57-2

Similarity

N/A

ID: 64099

4-(chloromethyl)-2-methyl-1,3-thiazole hydrochloride

$$$$ Data More

M. F.

C5H7Cl2NS

Suppliers	Catalog Number
Alfa Aesar	A14902
Matrix Scientific	069424
Maybridge	CD09497

Database	Data ID
PubChem	2734203

M. W.

184.08678

CAS

77470-53-2

Similarity

N/A

ID: 64100

2-bromo-4-methyl-1,3-thiazole

$$$$ Data More

M. F.

C4H4BrNS

Suppliers	Catalog Number
Matrix Scientific	069425
Apollo Scientific	OR2600
Life Chemicals	F2167-0084

Database	Data ID
PubChem	551541

M. W.

178.05026

CAS

7238-61-1

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