Chembase list of 866358 unique molecular structures

methyl 5-fluoro-1H-indazole-3-carboxylate

$$$$ Data

M. F.

C9H7FN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD26943
A&J Pharmtech	AJA-O14669

Database	Data ID
PubChem	12689297

M. W.

194.1624832

CAS

78155-73-4

Similarity

N/A

ID: 293402

2-amino-2,6-dihydro-1H-purin-6-one

$$$$ Data

M. F.

C5H5N5O

Suppliers	Catalog Number
Bide Pharmatech	BD2696

Database	Data ID
PubChem	45120632

M. W.

151.1261

CAS

73-40-5

Similarity

N/A

ID: 293403

1-(2-fluorophenyl)guanidine

$$$$ Data

M. F.

C7H8FN3

Suppliers	Catalog Number
Bide Pharmatech	BD26984
A&J Pharmtech	AJA-O13526

Database	Data ID
PubChem	20434491

M. W.

153.1569232

CAS

41213-65-4

Similarity

N/A

ID: 293404

1-(4-methoxyphenyl)guanidine hydrochloride

$$$$ Data

M. F.

C8H12ClN3O

Suppliers	Catalog Number
Bide Pharmatech	BD26992

Database	Data ID
PubChem	22594132

M. W.

201.65338

CAS

73709-20-3

Similarity

N/A

ID: 293405

1-N,1-N-dimethylcyclohexane-1,4-diamine dihydrochloride

$$$$ Data

M. F.

C8H20Cl2N2

Suppliers	Catalog Number
Bide Pharmatech	BD27003

Database	Data ID
PubChem	53399023

M. W.

215.1638

CAS

1031289-75-4

Similarity

N/A

ID: 293406

{[(6-bromohexyl)oxy]methyl}benzene

$$$$ Data

M. F.

C13H19BrO

Suppliers	Catalog Number
Bide Pharmatech	BD2703

Database	Data ID
PubChem	2784764

M. W.

271.19336

CAS

54247-27-7

Similarity

N/A

ID: 293407

1-(4-methylphenyl)-2-(pyridin-4-yl)ethan-1-one

$$$$ Data

M. F.

C14H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD27104

Database	Data ID
PubChem	11367827

M. W.

211.25912

CAS

100866-13-5

Similarity

N/A

ID: 293408

tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate

$$$$ Data

M. F.

C10H18N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD27116

Database	Data ID
PubChem	54006182

M. W.

230.32712

CAS

101410-18-8

Similarity

N/A

ID: 293409

1,3-oxazole-5-carbaldehyde

$$$$ Data

M. F.

C4H3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD27276
A&J Pharmtech	AJA-O13757 AJA-O33891

Database	Data ID
PubChem	11829372

M. W.

97.07212

CAS

118994-86-8

Similarity

N/A

ID: 293410

tert-butyl 2-[4-(2-aminoethyl)phenyl]acetate

$$$$ Data

M. F.

C14H21NO2

Suppliers	Catalog Number
Bide Pharmatech	BD27332
A&J Pharmtech	AJA-O33718 AJA-O13567

Database	Data ID
PubChem	14775459

M. W.

235.32204

CAS

124499-20-3

Similarity

N/A

ID: 293411

7-chloro-1H-indazole-3-carboxylic acid

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD27391
A&J Pharmtech	AJA-O32535

Database	Data ID
PubChem	10584063

M. W.

196.5905

CAS

129295-32-5

Similarity

N/A

ID: 293412

5,6-difluoro-1H-indazole-3-carboxylic acid

$$$$ Data

M. F.

C8H4F2N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD27392
A&J Pharmtech	AJA-O32540

Database	Data ID
PubChem	10821777

M. W.

198.1263664

CAS

129295-33-6

Similarity

N/A

ID: 293413

2-bromo-3-nitrophenol

$$$$ Data

M. F.

C6H4BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD27124
A&J Pharmtech	AJA-O10061

Database	Data ID
PubChem	8167254

M. W.

218.00486

CAS

101935-40-4

Similarity

N/A

ID: 293414

5-bromo-2-methylpyridin-4-amine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD27150
A&J Pharmtech	AJA-O27154

Database	Data ID
PubChem	13419578

M. W.

187.03718

CAS

10460-50-1

Similarity

N/A

ID: 293415

(3S)-morpholine-3-carboxylic acid hydrochloride

$$$$ Data

M. F.

C5H10ClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD27175

Database	Data ID
PubChem	42614332

M. W.

167.5908

CAS

1187929-04-9

Similarity

N/A

ID: 293416

(3R)-morpholine-3-carboxylic acid

$$$$ Data

M. F.

C5H9NO3

Suppliers	Catalog Number
Bide Pharmatech	BD27176

Database	Data ID
PubChem	12680089

M. W.

131.12986

CAS

106825-81-4

Similarity

N/A

ID: 293417

ethyl 3-oxo-3-(2,4,5-trifluoro-3-methoxyphenyl)propanoate

$$$$ Data

M. F.

C12H11F3O4

Suppliers	Catalog Number
Bide Pharmatech	BD27219
A&J Pharmtech	AJA-O10288

Database	Data ID
PubChem	10588473

M. W.

276.2085496

CAS

112811-68-4

Similarity

N/A

ID: 293418

4-[2-amino-3-(tert-butoxy)-3-oxopropyl]benzoic acid

$$$$ Data

M. F.

C14H19NO4

Suppliers	Catalog Number
Bide Pharmatech	BD27436

Database	Data ID
PubChem	57347932

M. W.

265.30496

CAS

132690-91-6

Similarity

N/A

ID: 293419

[3-(trifluoromethoxy)phenyl]hydrazine hydrochloride

$$$$ Data

M. F.

C7H8ClF3N2O

Suppliers	Catalog Number
Bide Pharmatech	BD27443
A&J Pharmtech	AJA-O34154

Database	Data ID
PubChem	45046393

M. W.

228.5994296

CAS

133115-55-6

Similarity

N/A

ID: 293420

4-nitropyridin-3-amine

$$$$ Data

M. F.

C5H5N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD27465
A&J Pharmtech	AJA-O33558

Database	Data ID
PubChem	586943

M. W.

139.1121

CAS

13505-02-7

Similarity

N/A

ID: 293421

4-nitropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H4N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD27466
A&J Pharmtech	AJA-O39336

Database	Data ID
PubChem	2762825

M. W.

168.10696

CAS

13509-19-8

Similarity

N/A

ID: 293422

3-(chloromethyl)-1-methyl-1H-1,2,4-triazole

$$$$ Data

M. F.

C4H6ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD27467
A&J Pharmtech	AJA-O4008 AJA-O30259

Database	Data ID
PubChem	10374498

M. W.

131.56354

CAS

135206-76-7

Similarity

N/A

ID: 293423

5,6,7,8-tetrahydro-1,7-naphthyridine

$$$$ Data

M. F.

C8H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD27474
A&J Pharmtech	AJA-O23652

Database	Data ID
PubChem	11356225

M. W.

134.1784

CAS

13623-85-3

Similarity

N/A

ID: 293424

6-methoxy-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C5H6N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD2751

Database	Data ID
PubChem	818116

M. W.

142.11274

CAS

29458-38-6

Similarity

N/A

ID: 293425

tert-butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C12H23NO3

Suppliers	Catalog Number
Bide Pharmatech	BD27561
A&J Pharmtech	AJA-O17014

Database	Data ID
PubChem	10421352

M. W.

229.31592

CAS

146667-84-7

Similarity

N/A

ID: 293426

7-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data

M. F.

C9H4F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD27579
A&J Pharmtech	AJA-O28896

Database	Data ID
PubChem	16099928

M. W.

231.1281696

CAS

149125-30-4

Similarity

N/A

ID: 293427

5-(aminomethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C5H10N2O

Suppliers	Catalog Number
ChemBridge	4111537
Bide Pharmatech	BD27626
A&J Pharmtech	AJA-O30203

Database	Data ID
PubChem	14143189

M. W.

114.1457

CAS

154148-69-3

Similarity

N/A

ID: 293428

1-[(benzyloxy)carbonyl]-3-ethyl-4-oxopiperidine-3-carboxylic acid

$$$$ Data

M. F.

C16H19NO5

Suppliers	Catalog Number
Bide Pharmatech	BD27630

Database	Data ID
PubChem	51358589

M. W.

305.32576

CAS

154548-45-5

Similarity

N/A

ID: 293429

2-chloropyrido[2,3-b]pyrazine

$$$$ Data

M. F.

C7H4ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD27636

Database	Data ID
PubChem	21856172

M. W.

165.57976

CAS

70838-55-0

Similarity

N/A

ID: 293430

benzyl N-[4-(2-bromoacetyl)phenyl]carbamate

$$$$ Data

M. F.

C16H14BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD27644

Database	Data ID
PubChem	18981260

M. W.

348.19126

CAS

157014-41-0

Similarity

N/A

ID: 293431

6-(2,2,2-trifluoroethoxy)pyridine-3-carbaldehyde

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD27666
A&J Pharmtech	AJA-O30035

Database	Data ID
PubChem	21698499

M. W.

205.1339496

CAS

159981-19-8

Similarity

N/A

ID: 293432

1-tert-butyl 2-methyl piperidine-1,2-dicarboxylate

$$$$ Data

M. F.

C12H21NO4

Suppliers	Catalog Number
Bide Pharmatech	BD27716

Database	Data ID
PubChem	10868493

M. W.

243.29944

CAS

167423-93-0

Similarity

N/A

ID: 293433

2-amino-4-[(tert-butoxy)carbonyl]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD27744

Database	Data ID
PubChem	56923796

M. W.

238.23986

CAS

171178-34-0

Similarity

N/A

ID: 293434

6-bromo-3-imino-3,4-dihydropyrazine-2-carbonitrile

$$$$ Data

M. F.

C5H3BrN4

Suppliers	Catalog Number
Bide Pharmatech	BD27757

Database	Data ID
PubChem	11052611

M. W.

199.00812

CAS

17231-51-5

Similarity

N/A

ID: 293435

5-(aminomethyl)thiophene-2-carbonitrile hydrochloride

$$$$ Data

M. F.

C6H7ClN2S

Suppliers	Catalog Number
Bide Pharmatech	BD27758

Database	Data ID
PubChem	21866520

M. W.

174.65118

CAS

172349-10-9

Similarity

N/A

ID: 293436

methyl 5-methoxy-1H-indole-3-carboxylate

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD27761

Database	Data ID
PubChem	23091969

M. W.

205.20994

CAS

172595-68-5

Similarity

N/A

ID: 293437

7-bromo-1,2,3,4-tetrahydroisoquinoline

$$$$ Data More

M. F.

C9H10BrN

Suppliers	Catalog Number
ChemBridge	4002740
Alfa Aesar	B25712
Bide Pharmatech	BD27797

Database	Data ID
PubChem	10729255

M. W.

212.0864

CAS

17680-55-6

Similarity

N/A

ID: 293438

hydrogen methyl 4-chloropyridine-2-carboxylate chloride

$$$$ Data

M. F.

C7H6Cl2NO2-

Suppliers	Catalog Number
Bide Pharmatech	BD27801

Database	Data ID
PubChem	73994941

M. W.

207.03404

CAS

176977-85-8

Similarity

N/A

ID: 293439

methyl 6-bromo-2H-chromene-3-carboxylate

$$$$ Data

M. F.

C11H9BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD27806
A&J Pharmtech	AJA-O33770

Database	Data ID
PubChem	15272849

M. W.

269.09136

CAS

177496-79-6

Similarity

N/A

ID: 293440

methyl 1-benzylazetidine-2-carboxylate

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Bide Pharmatech	BD27831

Database	Data ID
PubChem	4385248

M. W.

205.253

CAS

18085-37-5

Similarity

N/A

ID: 293441

1-(3-chlorophenyl)piperazin-2-one

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD27856
A&J Pharmtech	AJA-O31550

Database	Data ID
PubChem	10131114

M. W.

210.66014

CAS

183500-70-1

Similarity

N/A

ID: 293442

2-(chloromethyl)-1,3-oxazole

$$$$ Data

M. F.

C4H4ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD27872
A&J Pharmtech	AJA-O12197 AJA-O12865

Database	Data ID
PubChem	21957543

M. W.

117.53366

CAS

185246-17-7

Similarity

N/A

ID: 293443

2,4-dimethoxypyridine

$$$$ Data

M. F.

C7H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD27883

Database	Data ID
PubChem	817731

M. W.

139.15186

CAS

18677-43-5

Similarity

N/A

ID: 293444

4-amino-5-methyl-1,2-dihydropyrimidin-2-one

$$$$ Data

M. F.

C5H7N3O

Suppliers	Catalog Number
Alfa Aesar	43492
Bide Pharmatech	BD2793
A&J Pharmtech	AJA-O9344 AJA-O5813

Database	Data ID
PubChem	65040

M. W.

125.12858

CAS

58366-64-6

Similarity

N/A

ID: 293445

(1-benzyl-1H-1,3-benzodiazol-2-yl)methanamine

$$$$ Data

M. F.

C15H15N3

Suppliers	Catalog Number
Bide Pharmatech	BD27952
A&J Pharmtech	AJA-O33193

Database	Data ID
PubChem	4988996

M. W.

237.2997

CAS

20028-36-8

Similarity

N/A

ID: 293446

1-methyl-1H-1,3-benzodiazole-2-carboxylic acid

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
ChemBridge	4400229
Bide Pharmatech	BD27987
A&J Pharmtech	AJA-O35347

Database	Data ID
PubChem	3159705

M. W.

176.17202

CAS

20572-01-4

Similarity

N/A

ID: 293447

N-(3-chlorophenyl)-2-[(2-hydroxyethyl)amino]acetamide

$$$$ Data

M. F.

C10H13ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD28049

Database	Data ID
PubChem	9794574

M. W.

228.67542

CAS

215649-70-0

Similarity

N/A

ID: 293448

methyl 3-(4-methoxyphenyl)-3-oxopropanoate

$$$$ Data

M. F.

C11H12O4

Suppliers	Catalog Number
Bide Pharmatech	BD28073

Database	Data ID
PubChem	2759699

M. W.

208.21058

CAS

22027-50-5

Similarity

N/A

ID: 293449

6-chloro-1,2,3,4-tetrahydroisoquinolin-1-one

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD28089
A&J Pharmtech	AJA-O31623

Database	Data ID
PubChem	19375637

M. W.

181.61892

CAS

22246-02-2

Similarity

N/A

ID: 293450

7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-one

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD28090
A&J Pharmtech	AJA-O31620

Database	Data ID
PubChem	13521672

M. W.

177.19984

CAS

22246-04-4

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