Chembase list of 866358 unique molecular structures

1-[(2-aminoethyl)sulfanyl]-4-bromobenzene

$$$$ Data

M. F.

C8H10BrNS

Suppliers	Catalog Number
Matrix Scientific	059795
Key Organics	CF-0764

Database	Data ID
PubChem	420615

M. W.

232.1407

CAS

69326-62-1

Similarity

N/A

ID: 54852

benzyl 4-[(2-aminoethyl)amino]piperidine-1-carboxylate dihydrochloride

$$$$ Data

M. F.

C15H25Cl2N3O2

Suppliers	Catalog Number
Matrix Scientific	059796
Key Organics	BF-0023

Database	Data ID
PubChem	46223329

M. W.

350.2839

CAS

Similarity

N/A

ID: 54853

benzyl 4-[(3-aminopropyl)amino]piperidine-1-carboxylate dihydrochloride

$$$$ Data

M. F.

C16H27Cl2N3O2

Suppliers	Catalog Number
Matrix Scientific	059797
Key Organics	BF-0024

Database	Data ID
PubChem	46223330

M. W.

364.31048

CAS

Similarity

N/A

ID: 54854

benzyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate

$$$$ Data

M. F.

C17H23N3O3

Suppliers	Catalog Number
Matrix Scientific	059798
Key Organics	DF-0055

Database	Data ID
PubChem	22137530

M. W.

317.38282

CAS

164519-21-5

Similarity

N/A

ID: 54855

benzyl 4-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate

$$$$ Data

M. F.

C16H21N3O3

Suppliers	Catalog Number
Matrix Scientific	059799
Key Organics	DF-0056

Database	Data ID
PubChem	23463818

M. W.

303.35624

CAS

72349-01-0

Similarity

N/A

ID: 54856

benzyl 4-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]piperidine-1-carboxylate

$$$$ Data

M. F.

C20H31N3O4

Suppliers	Catalog Number
Matrix Scientific	059800
Key Organics	BF-0015

Database	Data ID
PubChem	46223334

M. W.

377.47784

CAS

Similarity

N/A

ID: 54857

benzyl 4-[(3-{[(tert-butoxy)carbonyl]amino}propyl)amino]piperidine-1-carboxylate

$$$$ Data

M. F.

C21H33N3O4

Suppliers	Catalog Number
Matrix Scientific	059801
Key Organics	BF-0016

Database	Data ID
PubChem	46223335

M. W.

391.50442

CAS

Similarity

N/A

ID: 54858

(5-chloro-6-methoxypyridin-3-yl)methanol

$$$$ Data More

M. F.

C7H8ClNO2

Suppliers	Catalog Number
Matrix Scientific	059802
Key Organics	CF-0749
Apollo Scientific	OR43616

Database	Data ID
PubChem	14817551

M. W.

173.59692

CAS

132865-53-3

Similarity

N/A

ID: 54859

(5-chloro-1-methyl-1H-imidazol-2-yl)methanol

$$$$ Data More

M. F.

C5H7ClN2O

Suppliers	Catalog Number
Matrix Scientific	059803
Key Organics	CF-0759
Apollo Scientific	OR43618

Database	Data ID
PubChem	14638329

M. W.

146.57488

CAS

Similarity

N/A

ID: 54860

2,3-dichloro-5-(chloromethyl)pyridine

$$$$ Data

M. F.

C6H4Cl3N

Suppliers	Catalog Number
Matrix Scientific	059804
Key Organics	CF-0755
Apollo Scientific	OR43617

Database	Data ID
PubChem	10176536

M. W.

196.46166

CAS

54127-31-0

Similarity

N/A

ID: 54861

(4,5-dichloro-1-methyl-1H-imidazol-2-yl)methanol

$$$$ Data

M. F.

C5H6Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	059805
Key Organics	CF-0765
Apollo Scientific	OR43611

Database	Data ID
PubChem	54759139

M. W.

181.01994

CAS

1000684-06-9

Similarity

N/A

ID: 54862

4,6-dichloropyridine-3-carbaldehyde

$$$$ Data More

M. F.

C6H3Cl2NO

Suppliers	Catalog Number
Matrix Scientific	059806
Key Organics	EF-0002
Bide Pharmatech	BD227114

Database	Data ID
PubChem	21698042

M. W.

176.00012

CAS

1060811-62-2

Similarity

N/A

ID: 54863

5-(diethoxymethyl)-2-fluorobenzonitrile

$$$$ Data

M. F.

C12H14FNO2

Suppliers	Catalog Number
Matrix Scientific	059807
Key Organics	BF-0754

Database	Data ID
PubChem	54758794

M. W.

223.2434632

CAS

1176161-37-7

Similarity

N/A

ID: 54864

2-(ethoxycarbonyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C7H7NO4S

Suppliers	Catalog Number
Matrix Scientific	059808
Key Organics	DF-0707
Bide Pharmatech	BD229385

Database	Data ID
PubChem	53487863

M. W.

201.19978

CAS

911466-96-1

Similarity

N/A

ID: 54865

ethyl 3,5-dichloro-4-cyanopyridine-2-carboxylate

$$$$ Data

M. F.

C9H6Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	059809
Key Organics	DF-0712

Database	Data ID
PubChem	56773408

M. W.

245.06214

CAS

Similarity

N/A

ID: 54866

ethyl 4-iodo-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H8INO2

Suppliers	Catalog Number
Matrix Scientific	059810
Key Organics	DF-0725
Apollo Scientific	OR61364

Database	Data ID
PubChem	5324606

M. W.

265.04839

CAS

433267-56-2

Similarity

N/A

ID: 54867

2-fluoro-5-formylbenzoic acid

$$$$ Data More

M. F.

C8H5FO3

Suppliers	Catalog Number
Matrix Scientific	059811
Key Organics	CF-0744
Maybridge	MO07878

Database	Data ID
PubChem	18525946

M. W.

168.1219032

CAS

550363-85-4

Similarity

N/A

ID: 54868

2-fluoro-5-(hydroxymethyl)benzoic acid

$$$$ Data More

M. F.

C8H7FO3

Suppliers	Catalog Number
Alfa Aesar	H52365
Matrix Scientific	059812
Key Organics	DF-0721

Database	Data ID
PubChem	2774491

M. W.

170.1377832

CAS

367-83-9

Similarity

N/A

ID: 54869

N-hexyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C12H18N4

Suppliers	Catalog Number
Matrix Scientific	059813
Key Organics	DF-0703

Database	Data ID
PubChem	21502237

M. W.

218.29812

CAS

57357-98-9

Similarity

N/A

ID: 54870

3-iodo-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C9H6INO

Suppliers	Catalog Number
Matrix Scientific	059814
Key Organics	DF-0704
Apollo Scientific	OR61363

Database	Data ID
PubChem	11043855

M. W.

271.05451

CAS

176327-44-9

Similarity

N/A

ID: 54871

2-{[5-(methoxycarbonyl)-2-nitrophenyl]amino}acetic acid

$$$$ Data

M. F.

C10H10N2O6

Suppliers	Catalog Number
Matrix Scientific	059815
Key Organics	DF-0713

Database	Data ID
PubChem	56773409

M. W.

254.1962

CAS

Similarity

N/A

ID: 54872

methyl 6-{bis[(tert-butoxy)carbonyl]amino}pyridine-3-carboxylate

$$$$ Data

M. F.

C17H24N2O6

Suppliers	Catalog Number
Matrix Scientific	059816
Key Organics	CF-0752

Database	Data ID
PubChem	56773410

M. W.

352.38226

CAS

Similarity

N/A

ID: 54873

methyl 4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-3-fluorobenzoate

$$$$ Data

M. F.

C15H11BrFNO3

Suppliers	Catalog Number
Matrix Scientific	059817
Key Organics	CF-0728

Database	Data ID
PubChem	56773411

M. W.

352.1551432

CAS

Similarity

N/A

ID: 54874

methyl 4-[(E)-[(5-chloro-2-hydroxyphenyl)methylidene]amino]-3-fluorobenzoate

$$$$ Data

M. F.

C15H11ClFNO3

Suppliers	Catalog Number
Matrix Scientific	059818
Key Organics	CF-0761

Database	Data ID
PubChem	56773412

M. W.

307.7041432

CAS

Similarity

N/A

ID: 54875

methyl 4-[(E)-[(2-chloropyridin-3-yl)methylidene]amino]-3-fluorobenzoate

$$$$ Data

M. F.

C14H10ClFN2O2

Suppliers	Catalog Number
Matrix Scientific	059819
Key Organics	DF-0715

Database	Data ID
PubChem	56773413

M. W.

292.6928032

CAS

Similarity

N/A

ID: 54876

methyl 2-fluoro-5-formylbenzoate

$$$$ Data

M. F.

C9H7FO3

Suppliers	Catalog Number
Matrix Scientific	059820
Key Organics	DF-0718

Database	Data ID
PubChem	24971957

M. W.

182.1484832

CAS

165803-94-1

Similarity

N/A

ID: 54877

methyl 3-fluoro-4-[(E)-[(2-hydroxyphenyl)methylidene]amino]benzoate

$$$$ Data

M. F.

C15H12FNO3

Suppliers	Catalog Number
Matrix Scientific	059821
Key Organics	CF-0723

Database	Data ID
PubChem	56773414

M. W.

273.2590832

CAS

Similarity

N/A

ID: 54878

propan-2-yl 4-iodo-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C8H10INO2

Suppliers	Catalog Number
Matrix Scientific	059822
Key Organics	DF-0735
Apollo Scientific	OR61365

Database	Data ID
PubChem	56773415

M. W.

279.07497

CAS

Similarity

N/A

ID: 54879

4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}morpholine

$$$$ Data

M. F.

C10H12N4O

Suppliers	Catalog Number
Matrix Scientific	059823
Key Organics	CF-0743

Database	Data ID
PubChem	9815628

M. W.

204.22848

CAS

90870-83-0

Similarity

N/A

ID: 54880

3-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

$$$$ Data

M. F.

C12H12N4O2

Suppliers	Catalog Number
Matrix Scientific	059824
Key Organics	DF-0700

Database	Data ID
PubChem	56773416

M. W.

244.24928

CAS

Similarity

N/A

ID: 54881

tert-butyl 4-(5,6-dichloropyridine-3-amido)piperidine-1-carboxylate

$$$$ Data

M. F.

C16H21Cl2N3O3

Suppliers	Catalog Number
Matrix Scientific	059825
Key Organics	DF-0719

Database	Data ID
PubChem	56773417

M. W.

374.26224

CAS

Similarity

N/A

ID: 54882

ethyl 5-ethoxy-1H-indole-2-carboxylate

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
Matrix Scientific	059830

Database	Data ID
PubChem	2742911

M. W.

233.2631

CAS

16382-17-5

Similarity

N/A

ID: 54883

2-bromo-5-(trifluoromethyl)phenol

$$$$ Data

M. F.

C7H4BrF3O

Suppliers	Catalog Number
Matrix Scientific	059835
Chemik	CHB83361
Bide Pharmatech	BD33579

Database	Data ID
PubChem	21914470

M. W.

241.0052696

CAS

402-05-1

Similarity

N/A

ID: 54884

5-fluoro-2-methylpyrimidine-4,6-diol

$$$$ Data

M. F.

C5H5FN2O2

Suppliers	Catalog Number
Matrix Scientific	059836

Database	Data ID
PubChem	233895

M. W.

144.1038032

CAS

1598-63-6

Similarity

N/A

ID: 54885

2-cyclopropyl-5-fluoropyrimidine-4,6-diol

$$$$ Data

M. F.

C7H7FN2O2

Suppliers	Catalog Number
Matrix Scientific	059837

Database	Data ID
PubChem	10214419

M. W.

170.1410832

CAS

Similarity

N/A

ID: 54886

4,6-dichloro-2-cyclopropyl-5-fluoropyrimidine

$$$$ Data

M. F.

C7H5Cl2FN2

Suppliers	Catalog Number
Matrix Scientific	059838

Database	Data ID
PubChem	56773418

M. W.

207.0324032

CAS

Similarity

N/A

ID: 54887

5-fluoropyrimidine-4,6-diol

$$$$ Data

M. F.

C4H3FN2O2

Suppliers	Catalog Number
Matrix Scientific	059839
Bide Pharmatech	BD30081

Database	Data ID
PubChem	11182621

M. W.

130.0772232

CAS

106615-61-6

Similarity

N/A

ID: 54888

2-amino-5-fluoropyrimidine-4,6-diol

$$$$ Data

M. F.

C4H4FN3O2

Suppliers	Catalog Number
Matrix Scientific	059840

Database	Data ID
PubChem	233888

M. W.

145.0918632

CAS

669-96-5

Similarity

N/A

ID: 54889

4-chloro-2-cyclopropyl-5-nitropyrimidine

$$$$ Data

M. F.

C7H6ClN3O2

Suppliers	Catalog Number
Matrix Scientific	059841

Database	Data ID
PubChem	56773419

M. W.

199.59444

CAS

Similarity

N/A

ID: 54890

4,6-dichloro-5-(prop-2-en-1-yl)pyrimidine

$$$$ Data

M. F.

C7H6Cl2N2

Suppliers	Catalog Number
Matrix Scientific	059842

Database	Data ID
PubChem	519208

M. W.

189.04194

CAS

16019-31-1

Similarity

N/A

ID: 54891

2-cyclopropyl-5-(prop-2-en-1-yl)pyrimidine-4,6-diol

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
Matrix Scientific	059843

Database	Data ID
PubChem	56773420

M. W.

192.21448

CAS

Similarity

N/A

ID: 54892

2-cyclopropylpyrimidine-4,6-diol

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Matrix Scientific	059844

Database	Data ID
PubChem	13772195

M. W.

152.15062

CAS

Similarity

N/A

ID: 54893

6-amino-2-cyclopropylpyrimidin-4-ol

$$$$ Data

M. F.

C7H9N3O

Suppliers	Catalog Number
Matrix Scientific	059845

Database	Data ID
PubChem	29078875

M. W.

151.16586

CAS

Similarity

N/A

ID: 54894

7H-pyrrolo[2,3-d]pyrimidine

$$$$ Data More

M. F.

C6H5N3

Suppliers	Catalog Number
Sigma Aldrich	ADE000073
Matrix Scientific	059846
Adesis	14-100

Database	Data ID
PubChem	261591

M. W.

119.124

CAS

271-70-5

Similarity

N/A

ID: 54895

4-chloro-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C13H10ClN3O2S

Suppliers	Catalog Number
Matrix Scientific	059847

Database	Data ID
PubChem	56773421

M. W.

307.7554

CAS

Similarity

N/A

ID: 54896

7-bromo-4-chloro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H3BrClN3

Suppliers	Catalog Number
Matrix Scientific	059848
Bide Pharmatech	BD158911

Database	Data ID
PubChem	52987660

M. W.

232.46512

CAS

1032650-41-1

Similarity

N/A

ID: 54897

5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H5N3

Suppliers	Catalog Number
Matrix Scientific	059849
Bide Pharmatech	BD54350

Database	Data ID
PubChem	577022

M. W.

119.124

CAS

272-50-4

Similarity

N/A

ID: 54898

3-chloroquinoxalin-2-amine

$$$$ Data

M. F.

C8H6ClN3

Suppliers	Catalog Number
Matrix Scientific	059850
Enamine	EN300-51097

Database	Data ID
PubChem	817274

M. W.

179.60634

CAS

34117-90-3

Similarity

N/A

ID: 54899

4,6-dichloro-5-fluoropyrimidin-2-amine

$$$$ Data

M. F.

C4H2Cl2FN3

Suppliers	Catalog Number
Matrix Scientific	059851

Database	Data ID
PubChem	15221577

M. W.

181.9831832

CAS

15598-33-1

Similarity

N/A

ID: 54900

7-bromo-5H-pyrrolo[3,2-d]pyrimidin-4-amine

$$$$ Data

M. F.

C6H5BrN4

Suppliers	Catalog Number
Matrix Scientific	059852

Database	Data ID
PubChem	56773422

M. W.

213.0347

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