Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Alfa Aesar	B22365
Matrix Scientific	018325
Bide Pharmatech	BD154787

Database	Data ID
PubChem	81293

M. W.

115.17352

CAS

27489-62-9

Similarity

N/A

ID: 16352

(1H-indol-6-yl)boronic acid

$$$$ Data More

M. F.

C8H8BNO2

Suppliers	Catalog Number
Sigma Aldrich	666459
Alfa Aesar	H53313
Matrix Scientific	018328

Database	Data ID
PubChem	2763205

M. W.

160.96562

CAS

147621-18-9

Similarity

N/A

ID: 16353

3-nitropyridin-4-ol

$$$$ Data More

M. F.

C5H4N2O3

Suppliers	Catalog Number
Sigma Aldrich	495212
Alfa Aesar	B20963
Matrix Scientific	018329

Database	Data ID
PubChem	228506

M. W.

140.09686

CAS

5435-54-1

Similarity

N/A

ID: 16354

3-nitropyridin-2-ol

$$$$ Data More

M. F.

C5H4N2O3

Suppliers	Catalog Number
Sigma Aldrich	190616 56025
Alfa Aesar	A17768
Matrix Scientific	018331

Database	Data ID
PubChem	22793

M. W.

140.09686

CAS

6332-56-5

Similarity

N/A

ID: 16355

6-bromopyridin-3-ol

$$$$ Data More

M. F.

C5H4BrNO

Suppliers	Catalog Number
Alfa Aesar	H27228
Matrix Scientific	018332
Apollo Scientific	OR4713

Database	Data ID
PubChem	2762865

M. W.

173.99536

CAS

55717-45-8

Similarity

N/A

ID: 16356

6-bromo-3-fluoro-2-methylpyridine

$$$$ Data More

M. F.

C6H5BrFN

Suppliers	Catalog Number
Matrix Scientific	018333
Apollo Scientific	PC10422
Bide Pharmatech	BD3331

Database	Data ID
PubChem	2783180

M. W.

190.0130032

CAS

374633-38-2

Similarity

N/A

ID: 16357

(2,3,4-trifluorophenyl)boronic acid

$$$$ Data More

M. F.

C6H4BF3O2

Suppliers	Catalog Number
Sigma Aldrich	524085
Alfa Aesar	L19827
Matrix Scientific	018334

Database	Data ID
PubChem	2783280

M. W.

175.9009696

CAS

226396-32-3

Similarity

N/A

ID: 16358

7-bromo-1H-indole

$$$$ Data More

M. F.

C8H6BrN

Suppliers	Catalog Number
Sigma Aldrich	473723
MP Biomedicals	02199469
Alfa Aesar	44422

Database	Data ID
PubChem	2757020

M. W.

196.04394

CAS

51417-51-7

Similarity

N/A

ID: 16359

1H-indol-6-amine

$$$$ Data More

M. F.

C8H8N2

Suppliers	Catalog Number
Sigma Aldrich	630721
Alfa Aesar	L17793
Matrix Scientific	018336

Database	Data ID
PubChem	256096

M. W.

132.16252

CAS

5318-27-4

Similarity

N/A

ID: 16360

2-bromo-1-(2,4-difluorophenyl)ethan-1-one

$$$$ Data More

M. F.

C8H5BrF2O

Suppliers	Catalog Number
Sigma Aldrich	595152
Matrix Scientific	018337
Apollo Scientific	PC2755

Database	Data ID
PubChem	2774185

M. W.

235.0255064

CAS

102429-07-2

Similarity

N/A

ID: 16361

ethynylcyclopropane

$$$$ Data More

M. F.

C5H6

Suppliers	Catalog Number
Sigma Aldrich	563374 663018
Alfa Aesar	H53440
Matrix Scientific	018338

Database	Data ID
PubChem	138823

M. W.

66.10114

CAS

6746-94-7

Similarity

N/A

ID: 16362

2-fluoro-3-nitropyridine

$$$$ Data More

M. F.

C5H3FN2O2

Suppliers	Catalog Number
Matrix Scientific	018339
Apollo Scientific	PC9190
Enamine	EN300-41103

Database	Data ID
PubChem	2762817

M. W.

142.0879232

CAS

1480-87-1

Similarity

N/A

ID: 16363

2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid

$$$$ Data

M. F.

C6HF11O3

Suppliers	Catalog Number
Alfa Aesar	L16968
Matrix Scientific	018340
Apollo Scientific	PC4326

Database	Data ID
PubChem	114481

M. W.

330.0527752

CAS

13252-13-6

Similarity

N/A

ID: 16364

2-(thiophen-3-yl)acetic acid

$$$$ Data More

M. F.

C6H6O2S

Suppliers	Catalog Number
Sigma Aldrich	220639 89017 89016
ChemBridge	3020079
Alfa Aesar	A10700

Database	Data ID
Wikipedia	3-Thiophene_acetic_acid
PubChem	23404

M. W.

142.17564

CAS

6964-21-2

Similarity

N/A

ID: 16365

4-bromo-3-fluorobenzonitrile

$$$$ Data More

M. F.

C7H3BrFN

Suppliers	Catalog Number
Matrix Scientific	018343
Apollo Scientific	PC9579
Chemik	CHB31300

Database	Data ID
PubChem	15165443

M. W.

200.0078232

CAS

133059-44-6

Similarity

N/A

ID: 16366

5-fluoro-2-methylpyridine

$$$$ Data More

M. F.

C6H6FN

Suppliers	Catalog Number
Matrix Scientific	018344
Apollo Scientific	PC1509
Bide Pharmatech	BD3497

Database	Data ID
PubChem	2762863

M. W.

111.1169432

CAS

31181-53-0

Similarity

N/A

ID: 16367

2-bromo-3-methylpyridine

$$$$ Data More

M. F.

C6H6BrN

Suppliers	Catalog Number
Sigma Aldrich	448109
Alfa Aesar	L19522
Matrix Scientific	018345

Database	Data ID
PubChem	220832

M. W.

172.02254

CAS

3430-17-9

Similarity

N/A

ID: 16368

3-chloro-2-fluoropyridine

$$$$ Data More

M. F.

C5H3ClFN

Suppliers	Catalog Number
Alfa Aesar	H27755
Matrix Scientific	018347
Apollo Scientific	PC1914

Database	Data ID
PubChem	2762818

M. W.

131.5354232

CAS

1480-64-4

Similarity

N/A

ID: 16369

(1R,2R)-2-fluorocyclohexan-1-ol

$$$$ Data

M. F.

C6H11FO

Suppliers	Catalog Number
Alfa Aesar	H26031
Matrix Scientific	018348

Database	Data ID
PubChem	12700773

M. W.

118.1493432

CAS

656-60-0

Similarity

N/A

ID: 16370

pyridine-3,4-dicarboxylic acid

$$$$ Data More

M. F.

C7H5NO4

Suppliers	Catalog Number
Sigma Aldrich	P64006
Alfa Aesar	A14580
Matrix Scientific	018349

Database	Data ID
PubChem	10273

M. W.

167.1189

CAS

490-11-9

Similarity

N/A

ID: 16371

3-bromo-5-fluoropyridine

$$$$ Data More

M. F.

C5H3BrFN

Suppliers	Catalog Number
Sigma Aldrich	646296
Alfa Aesar	H25766
Matrix Scientific	018350

Database	Data ID
PubChem	820206

M. W.

175.9864232

CAS

407-20-5

Similarity

N/A

ID: 16372

2-bromo-5-nitropyridine

$$$$ Data More

M. F.

C5H3BrN2O2

Suppliers	Catalog Number
Sigma Aldrich	324833
Alfa Aesar	L15661
Matrix Scientific	018351

Database	Data ID
PubChem	78240

M. W.

202.99352

CAS

4487-59-6

Similarity

N/A

ID: 16373

2-(5-methoxy-1H-indol-3-yl)acetonitrile

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Sigma Aldrich	567655
Matrix Scientific	018352
Apollo Scientific	OR8748

Database	Data ID
PubChem	3564783

M. W.

186.2099

CAS

2436-17-1

Similarity

N/A

ID: 16374

(2,5-difluorophenyl)boronic acid

$$$$ Data More

M. F.

C6H5BF2O2

Suppliers	Catalog Number
Sigma Aldrich	514020
Alfa Aesar	B24113
Matrix Scientific	018353

Database	Data ID
PubChem	2734335

M. W.

157.9105064

CAS

193353-34-3

Similarity

N/A

ID: 16375

2-chloro-5-fluorobenzaldehyde

$$$$ Data More

M. F.

C7H4ClFO

Suppliers	Catalog Number
Matrix Scientific	018354
Apollo Scientific	PC0777
Chemik	CHB20800

Database	Data ID
PubChem	2779184

M. W.

158.5574632

CAS

84194-30-9

Similarity

N/A

ID: 16376

5-fluoro-2-nitroaniline

$$$$ Data More

M. F.

C6H5FN2O2

Suppliers	Catalog Number
Matrix Scientific	018355
Apollo Scientific	PC1559
Chemik	CHB79661

Database	Data ID
PubChem	75399

M. W.

156.1145032

CAS

2369-11-1

Similarity

N/A

ID: 16377

3-aminopyridine-2-carboxylic acid

$$$$ Data More

M. F.

C6H6N2O2

Suppliers	Catalog Number
Matrix Scientific	018356
Apollo Scientific	OR2780T
Life Chemicals	F2113-0045

Database	Data ID
PubChem	73836

M. W.

138.12404

CAS

1462-86-8

Similarity

N/A

ID: 16378

6-chloropyridine-2-carbonitrile

$$$$ Data More

M. F.

C6H3ClN2

Suppliers	Catalog Number
Sigma Aldrich	665967
Alfa Aesar	H27748
Matrix Scientific	018357

Database	Data ID
PubChem	118424

M. W.

138.55442

CAS

33252-29-8

Similarity

N/A

ID: 16379

2-(2-bromophenyl)acetic acid

$$$$ Data More

M. F.

C8H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	260061 18060
MP Biomedicals	05213814
Alfa Aesar	A16900

Database	Data ID
PubChem	87754

M. W.

215.04398

CAS

18698-97-0

Similarity

N/A

ID: 16380

2-(4-bromophenyl)acetic acid

$$$$ Data More

M. F.

C8H7BrO2

Suppliers	Catalog Number
Sigma Aldrich	138673
Alfa Aesar	A15325
Matrix Scientific	018359

Database	Data ID
PubChem	74654

M. W.

215.04398

CAS

1878-68-8

Similarity

N/A

ID: 16381

3-phenylpiperidine hydrochloride

$$$$ Data

M. F.

C11H16ClN

Suppliers	Catalog Number
Matrix Scientific	018360
Apollo Scientific	OR0894
Bide Pharmatech	BD183345

Database	Data ID
PubChem	17390008

M. W.

197.70444

CAS

19509-09-2

Similarity

N/A

ID: 16382

1-(4-hydroxy-3-methylphenyl)ethan-1-one

$$$$ Data More

M. F.

C9H10O2

Suppliers	Catalog Number
Sigma Aldrich	H38004
Alfa Aesar	A18540
Matrix Scientific	018361

Database	Data ID
PubChem	70135

M. W.

150.1745

CAS

876-02-8

Similarity

N/A

ID: 16383

4-amino-1-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

$$$$ Data More

M. F.

C11H20N2O4

Suppliers	Catalog Number
Sigma Aldrich	680095
Alfa Aesar	L19794
Matrix Scientific	018362

Database	Data ID
PubChem	693797

M. W.

244.2875

CAS

183673-71-4

Similarity

N/A

ID: 16384

4-(4-methylphenyl)piperidin-4-ol

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
ChemBridge	3020325
Matrix Scientific	018364

Database	Data ID
PubChem	93912

M. W.

191.26948

CAS

57988-60-0

Similarity

N/A

ID: 16385

4-[4-(trifluoromethyl)phenyl]piperidin-4-ol

$$$$ Data

M. F.

C12H14F3NO

Suppliers	Catalog Number
Matrix Scientific	018365

Database	Data ID
PubChem	15292605

M. W.

245.2408696

CAS

39757-71-6

Similarity

N/A

ID: 16386

2-cyclopropylaniline

$$$$ Data

M. F.

C9H11N

Suppliers	Catalog Number
ChemBridge	4005989
Matrix Scientific	018366

Database	Data ID
PubChem	76618

M. W.

133.19034

CAS

3158-73-4

Similarity

N/A

ID: 16387

5-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
ChemBridge	3002711
Matrix Scientific	018367
Enamine	EN300-92630

Database	Data ID
PubChem	3089571

M. W.

205.20994

CAS

842954-77-2

Similarity

N/A

ID: 16388

5-(chloromethyl)-1-(4-nitrophenyl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C8H6ClN5O2

Suppliers	Catalog Number
Matrix Scientific	018368

Database	Data ID
PubChem	3131955

M. W.

239.61854

CAS

Similarity

N/A

ID: 16389

2-(furan-2-yl)-4,5-dihydro-1H-imidazole

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Matrix Scientific	018369

Database	Data ID
PubChem	840808

M. W.

136.15122

CAS

Similarity

N/A

ID: 16390

1H,2H,3H,4H,5H-pyrido[4,3-b]indole

$$$$ Data More

M. F.

C11H12N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00326
ChemBridge	4110640
Matrix Scientific	018370

Database	Data ID
PubChem	723230

M. W.

172.22638

CAS

6208-60-2

Similarity

N/A

ID: 16391

4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol

$$$$ Data

M. F.

C17H19NO3

Suppliers	Catalog Number
Matrix Scientific	018371
Life Chemicals	F2150-0001

Database	Data ID
PubChem	2752369

M. W.

285.33766

CAS

Similarity

N/A

ID: 16392

5,5-dimethyl-3-(piperazin-1-yl)cyclohex-2-en-1-one

$$$$ Data

M. F.

C12H20N2O

Suppliers	Catalog Number
Matrix Scientific	018372

Database	Data ID
PubChem	648131

M. W.

208.3

CAS

Similarity

N/A

ID: 16393

4-(2-oxopyrrolidin-1-yl)benzaldehyde

$$$$ Data More

M. F.

C11H11NO2

Suppliers	Catalog Number
ChemBridge	4005984
Matrix Scientific	018373
Maybridge	MO01193

Database	Data ID
PubChem	2794706

M. W.

189.21054

CAS

36151-45-8

Similarity

N/A

ID: 16394

2-(diethylamino)acetic acid

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
ChemBridge	4010142
Matrix Scientific	018374

Database	Data ID
PubChem	74151

M. W.

131.17292

CAS

1606-01-5

Similarity

N/A

ID: 16395

5-[(diethylamino)methyl]furan-3-carboxylic acid

$$$$ Data

M. F.

C10H15NO3

Suppliers	Catalog Number
Matrix Scientific	018375

Database	Data ID
PubChem	2317134

M. W.

197.231

CAS

Similarity

N/A

ID: 16396

5-[(diethylamino)methyl]-2-methylfuran-3-carboxylic acid

$$$$ Data

M. F.

C11H17NO3

Suppliers	Catalog Number
ChemBridge	6050038
Matrix Scientific	018376

Database	Data ID
PubChem	1857693

M. W.

211.25758

CAS

296274-15-2

Similarity

N/A

ID: 16397

5-(2-methoxyphenoxymethyl)furan-3-carboxylic acid

$$$$ Data

M. F.

C13H12O5

Suppliers	Catalog Number
Matrix Scientific	018377

Database	Data ID
PubChem	3093529

M. W.

248.23138

CAS

Similarity

N/A

ID: 16398

1-chloro-4-methylphthalazine

$$$$ Data More

M. F.

C9H7ClN2

Suppliers	Catalog Number
ChemBridge	4041177
Matrix Scientific	018378
TRC	C369450

Database	Data ID
PubChem	269733

M. W.

178.61828

CAS

19064-68-7

Similarity

N/A

ID: 16399

4-(2-hydroxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C13H13N3O3

Suppliers	Catalog Number
ChemBridge	5807454
Matrix Scientific	018379

Database	Data ID
PubChem	3094232

M. W.

259.26062

CAS

79638-54-3

Similarity

N/A

ID: 16400

3-chloro-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C9H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	018380

Database	Data ID
PubChem	840793

M. W.

225.63172

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