Chembase list of 866358 unique molecular structures

2-(1-benzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C14H17BO3

Suppliers	Catalog Number
Maybridge	CC78239

Database	Data ID
PubChem	45790048

M. W.

244.09398

CAS

1192755-14-8

Similarity

N/A

ID: 101552

2-bromo-1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1...

$$$$ Data

M. F.

C18H25BrO

Suppliers	Catalog Number
Maybridge	CD00361

Database	Data ID
PubChem	254968

M. W.

337.2945

CAS

175136-57-9

Similarity

N/A

ID: 101553

1H,2H,3H,4H,6H,10bH-pyrimido[2,1-a]isoindol-6-one

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Maybridge	CD01280

Database	Data ID
PubChem	308271

M. W.

188.22578

CAS

18440-63-6

Similarity

N/A

ID: 101554

3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbohydrazide

$$$$ Data

M. F.

C11H9Cl2N3O2

Suppliers	Catalog Number
Maybridge	CD01867

Database	Data ID
PubChem	2803333

M. W.

286.11406

CAS

263255-98-7

Similarity

N/A

ID: 101555

3-(1H-pyrrol-1-yl)propanenitrile

$$$$ Data

M. F.

C7H8N2

Suppliers	Catalog Number
Sigma Aldrich	C91352
Maybridge	CD01949
Bide Pharmatech	BD140954

Database	Data ID
PubChem	96527

M. W.

120.15182

CAS

43036-06-2

Similarity

N/A

ID: 101556

2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)acetonitrile

$$$$ Data

M. F.

C5H6N4S

Suppliers	Catalog Number
Maybridge	CD02565

Database	Data ID
PubChem	727888

M. W.

154.19294

CAS

59682-60-9

Similarity

N/A

ID: 101557

5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C11H8F3N3O2

Suppliers	Catalog Number
Maybridge	CD04550
Enamine	EN300-26954

Database	Data ID
PubChem	2804089

M. W.

271.1953296

CAS

499771-21-0

Similarity

N/A

ID: 101558

5-chloro-2-(methylsulfanyl)aniline

$$$$ Data

M. F.

C7H8ClNS

Suppliers	Catalog Number
Maybridge	CD05201

Database	Data ID
PubChem	2794577

M. W.

173.66312

CAS

16423-54-4

Similarity

N/A

ID: 101559

3-(2-bromo-5-methoxyphenyl)-3-oxopropanenitrile

$$$$ Data

M. F.

C10H8BrNO2

Suppliers	Catalog Number
Maybridge	CD05258

Database	Data ID
PubChem	2804251

M. W.

254.08002

CAS

175136-65-9

Similarity

N/A

ID: 101560

2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]acetonitrile

$$$$ Data

M. F.

C12H8Cl2N2O

Suppliers	Catalog Number
Maybridge	CD06548

Database	Data ID
PubChem	540848

M. W.

267.11072

CAS

519056-44-1

Similarity

N/A

ID: 101561

5-[(3-nitropyridin-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C7H5N5O2S2

Suppliers	Catalog Number
Maybridge	CD07800

Database	Data ID
PubChem	2804939

M. W.

255.2769

CAS

499771-19-6

Similarity

N/A

ID: 101562

3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophene-2-carbohydrazide

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
Maybridge	CD08752

Database	Data ID
PubChem	2805206

M. W.

235.30542

CAS

666724-62-5

Similarity

N/A

ID: 101563

2-methyl-2-(1H-pyrrol-1-yl)propan-1-ol

$$$$ Data

M. F.

C8H13NO

Suppliers	Catalog Number
Maybridge	CD09043

Database	Data ID
PubChem	2794578

M. W.

139.19492

CAS

499771-22-1

Similarity

N/A

ID: 101564

(2E)-2-[amino(methylsulfanyl)methylidene]-3-oxobutanenitrile

$$$$ Data

M. F.

C6H8N2OS

Suppliers	Catalog Number
Maybridge	CD09271

Database	Data ID
PubChem	2777066

M. W.

156.20552

CAS

58955-39-8

Similarity

N/A

ID: 101565

(Z)-N'-hydroxy-2-(pyridin-2-ylsulfanyl)ethenimidamide

$$$$ Data

M. F.

C7H9N3OS

Suppliers	Catalog Number
Maybridge	CD09642

Database	Data ID
PubChem	9583519

M. W.

183.23086

CAS

479080-09-6

Similarity

N/A

ID: 101566

ethyl 2-(2-methyl-1,3-thiazol-4-yl)acetate

$$$$ Data

M. F.

C8H11NO2S

Suppliers	Catalog Number
Maybridge	CD09887
Enamine	EN300-05297

Database	Data ID
PubChem	854815

M. W.

185.24344

CAS

37128-24-8

Similarity

N/A

ID: 101567

1-[1-(3,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

$$$$ Data

M. F.

C11H9Cl2N3O

Suppliers	Catalog Number
Maybridge	CD09955

Database	Data ID
PubChem	2805523

M. W.

270.11466

CAS

667865-24-9

Similarity

N/A

ID: 101568

ethyl (2Z)-4-bromo-3-ethoxybut-2-enoate

$$$$ Data

M. F.

C8H13BrO3

Suppliers	Catalog Number
Alfa Aesar	L06849
Maybridge	CD10997

Database	Data ID
PubChem	5708790

M. W.

237.09102

CAS

1116-50-3

Similarity

N/A

ID: 101569

N-[(2E)-azepan-2-ylidene]hydroxylamine

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
Maybridge	CD11194

Database	Data ID
PubChem	1810625

M. W.

128.17228

CAS

19214-08-5

Similarity

N/A

ID: 101570

(3E)-4-(3,4-dichlorophenyl)but-3-en-2-one

$$$$ Data

M. F.

C10H8Cl2O

Suppliers	Catalog Number
Maybridge	CD11322

Database	Data ID
PubChem	5795072

M. W.

215.07592

CAS

74546-02-4

Similarity

N/A

ID: 101571

4-(pyridin-2-yl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Maybridge	CD11596

Database	Data ID
PubChem	2806085

M. W.

161.16068

CAS

499785-46-5

Similarity

N/A

ID: 101572

1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethan-1-one

$$$$ Data

M. F.

C12H7Cl3O2

Suppliers	Catalog Number
Maybridge	CD11824

Database	Data ID
PubChem	2806158

M. W.

289.54178

CAS

671192-08-8

Similarity

N/A

ID: 101573

1-[5-(3-chloro-4-fluorophenyl)furan-2-yl]ethan-1-one

$$$$ Data

M. F.

C12H8ClFO2

Suppliers	Catalog Number
Maybridge	CD11840

Database	Data ID
PubChem	2806159

M. W.

238.6421232

CAS

671192-09-9

Similarity

N/A

ID: 101574

5-(methylsulfanyl)-3-(4-phenoxyphenyl)-1H-pyrazole

$$$$ Data

M. F.

C16H14N2OS

Suppliers	Catalog Number
Maybridge	CD11949

Database	Data ID
PubChem	2806196

M. W.

282.36016

CAS

671754-10-2

Similarity

N/A

ID: 101575

4-chloro-2,5-dimethoxybenzonitrile

$$$$ Data

M. F.

C9H8ClNO2

Suppliers	Catalog Number
Maybridge	DP00960

Database	Data ID
PubChem	730990

M. W.

197.61832

CAS

58543-89-8

Similarity

N/A

ID: 101576

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

$$$$ Data

M. F.

C12H11ClN2O3

Suppliers	Catalog Number
Maybridge	DP01236
TRC	C379573
Enamine	EN300-36987

Database	Data ID
PubChem	731146

M. W.

266.68034

CAS

439108-15-3

Similarity

N/A

ID: 101577

2-(4-methoxyphenyl)ethanethioamide

$$$$ Data

M. F.

C9H11NOS

Suppliers	Catalog Number
Alfa Aesar	H26742
Maybridge	DP01386

Database	Data ID
PubChem	2806786

M. W.

181.25474

CAS

60759-02-6

Similarity

N/A

ID: 101578

2-(4-methylphenyl)ethanethioamide

$$$$ Data

M. F.

C9H11NS

Suppliers	Catalog Number
Alfa Aesar	H26278
Maybridge	DP01389

Database	Data ID
PubChem	2806791

M. W.

165.25534

CAS

97426-53-4

Similarity

N/A

ID: 101579

3,5-bis(trifluoromethyl)benzene-1-carbothioamide

$$$$ Data

M. F.

C9H5F6NS

Suppliers	Catalog Number
Alfa Aesar	H26809
Maybridge	DP01682

Database	Data ID
PubChem	2806924

M. W.

273.1981192

CAS

317319-15-6

Similarity

N/A

ID: 101580

7-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-amine hydrobromide

$$$$ Data

M. F.

C12H13BrN2OS

Suppliers	Catalog Number
Maybridge	FM00121

Database	Data ID
PubChem	2807473

M. W.

313.21342

CAS

376349-30-3

Similarity

N/A

ID: 101581

1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

$$$$ Data

M. F.

C6H4ClF3N2O

Suppliers	Catalog Number
Maybridge	GK00779

Database	Data ID
PubChem	2794581

M. W.

212.5569696

CAS

126674-98-4

Similarity

N/A

ID: 101582

1-(3-amino-5-phenylthiophen-2-yl)ethan-1-one

$$$$ Data

M. F.

C12H11NOS

Suppliers	Catalog Number
Alfa Aesar	B20751
Maybridge	GK01045

Database	Data ID
PubChem	2807849

M. W.

217.28684

CAS

105707-24-2

Similarity

N/A

ID: 101583

ethyl 2-hydroxy-4-(trifluoromethyl)pyrimidine-5-carboxylate

$$$$ Data

M. F.

C8H7F3N2O3

Suppliers	Catalog Number
Maybridge	GK01680

Database	Data ID
PubChem	2737148

M. W.

236.1479896

CAS

154934-97-1

Similarity

N/A

ID: 101584

3-amino-5-tert-butylthiophene-2-carbonitrile

$$$$ Data

M. F.

C9H12N2S

Suppliers	Catalog Number
Maybridge	GK02506
Enamine	EN300-118529

Database	Data ID
PubChem	2808415

M. W.

180.26998

CAS

677277-39-3

Similarity

N/A

ID: 101585

5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride

$$$$ Data

M. F.

C6H3Cl2F3N2O

Suppliers	Catalog Number
Maybridge	GK02623

Database	Data ID
PubChem	2794585

M. W.

247.0020296

CAS

128564-57-8

Similarity

N/A

ID: 101586

2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C8H7ClN2OS

Suppliers	Catalog Number
Maybridge	GK03778

Database	Data ID
PubChem	2794587

M. W.

214.67198

CAS

568577-81-1

Similarity

N/A

ID: 101587

3-aminopyrazine-2-carbohydrazide

$$$$ Data

M. F.

C5H7N5O

Suppliers	Catalog Number
Maybridge	HAN00435

Database	Data ID
PubChem	1240109

M. W.

153.14198

CAS

6761-52-0

Similarity

N/A

ID: 101588

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-(trifluoromethyl)pyrimidin-2-amine

$$$$ Data

M. F.

C14H12F3N3O2

Suppliers	Catalog Number
Maybridge	HTS03195

Database	Data ID
PubChem	2811082

M. W.

311.2591896

CAS

519056-64-5

Similarity

N/A

ID: 101589

12-(2-hydroxyethyl)-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0?,?]trideca-2,4,6,...

$$$$ Data

M. F.

C15H13N3O2

Suppliers	Catalog Number
Maybridge	HTS07558

Database	Data ID
PubChem	373492

M. W.

267.28262

CAS

166671-26-7

Similarity

N/A

ID: 101590

2-amino-4-ethyl-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile

$$$$ Data

M. F.

C15H12N2O3

Suppliers	Catalog Number
Maybridge	HTS07626

Database	Data ID
PubChem	2813769

M. W.

268.26738

CAS

499785-45-4

Similarity

N/A

ID: 101591

6-amino-3-ethyl-4-phenyl-1H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

$$$$ Data

M. F.

C15H14N4O

Suppliers	Catalog Number
Maybridge	HTS08476

Database	Data ID
PubChem	2814249

M. W.

266.29786

CAS

444790-63-0

Similarity

N/A

ID: 101592

4-(furan-2-yl)-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-3-carbonitrile

$$$$ Data

M. F.

C14H8N2O2S

Suppliers	Catalog Number
Maybridge	HTS10307

Database	Data ID
PubChem	2815329

M. W.

268.29052

CAS

81682-91-9

Similarity

N/A

ID: 101593

1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Maybridge	HTS10895

Database	Data ID
PubChem	2815643

M. W.

245.2738

CAS

566154-69-6

Similarity

N/A

ID: 101594

4-(4-fluorophenyl)-5-(thiophen-3-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H10FN3S2

Suppliers	Catalog Number
Maybridge	HTS11296

Database	Data ID
PubChem	2815829

M. W.

291.3670032

CAS

451502-02-6

Similarity

N/A

ID: 101595

4-benzyl-5-(thiophen-3-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H13N3S2

Suppliers	Catalog Number
Maybridge	HTS11297

Database	Data ID
PubChem	2815830

M. W.

287.40312

CAS

451502-05-9

Similarity

N/A

ID: 101596

7-methoxy-2-oxo-2H-chromene-3-carboxylic acid

$$$$ Data

M. F.

C11H8O5

Suppliers	Catalog Number
Sigma Aldrich	64948
Maybridge	HTS11321
A&J Pharmtech	AJA-O1603

Database	Data ID
PubChem	583941

M. W.

220.17822

CAS

20300-59-8

Similarity

N/A

ID: 101597

8-bromo-6-chloro-2-oxo-2H-chromene-3-carboxylic acid

$$$$ Data

M. F.

C10H4BrClO4

Suppliers	Catalog Number
Maybridge	HTS11322

Database	Data ID
PubChem	2815850

M. W.

303.49336

CAS

213749-64-5

Similarity

N/A

ID: 101598

1-(benzenesulfonyl)-5-nitro-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C14H12N2O4S

Suppliers	Catalog Number
Maybridge	HTS11325

Database	Data ID
PubChem	2815853

M. W.

304.32108

CAS

519056-50-9

Similarity

N/A

ID: 101599

ethyl 5-sulfanyl-[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate

$$$$ Data

M. F.

C12H10N4O2S

Suppliers	Catalog Number
Maybridge	HTS12449

Database	Data ID
PubChem	2816375

M. W.

274.2984

CAS

519056-58-7

Similarity

N/A

ID: 101600

4-amino-2-(pyrrolidin-1-yl)pyrimidine-5-carbonitrile

$$$$ Data

M. F.

C9H11N5

Suppliers	Catalog Number
Maybridge	HTS12512

Database	Data ID
PubChem	2794590

M. W.

189.21714

CAS

55441-53-7

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