Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H7NO2

Suppliers	Catalog Number
Apollo Scientific	OR48100

Database	Data ID
PubChem	22128831

M. W.

173.16808

CAS

106778-43-2

Similarity

N/A

ID: 89302

(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

$$$$ Data More

M. F.

C6H10O5

Suppliers	Catalog Number
Sigma Aldrich	A8417 316555 10390
Alfa Aesar	A16724
Apollo Scientific	OR4810T

Database	Data ID
PubChem	2724705

M. W.

162.1406

CAS

498-07-7

Similarity

N/A

ID: 89303

methyl 3-(benzyloxy)-4-methylbenzoate

$$$$ Data

M. F.

C16H16O3

Suppliers	Catalog Number
Apollo Scientific	OR4811

Database	Data ID
PubChem	24721214

M. W.

256.29644

CAS

Similarity

N/A

ID: 89304

isoquinoline-7-carboxylic acid

$$$$ Data

M. F.

C10H7NO2

Suppliers	Catalog Number
Apollo Scientific	OR48110
Bide Pharmatech	BD167889

Database	Data ID
PubChem	18468721

M. W.

173.16808

CAS

221050-96-0

Similarity

N/A

ID: 89305

2-(benzyloxy)-4-(chloromethyl)-1-methylbenzene

$$$$ Data

M. F.

C15H15ClO

Suppliers	Catalog Number
Apollo Scientific	OR4814

Database	Data ID
PubChem	26966854

M. W.

246.732

CAS

Similarity

N/A

ID: 89306

3,5-bis(benzyloxy)benzoic acid

$$$$ Data

M. F.

C21H18O4

Suppliers	Catalog Number
Apollo Scientific	OR4816

Database	Data ID
PubChem	99307

M. W.

334.36522

CAS

Similarity

N/A

ID: 89307

2,6-dimethoxybenzoic acid

$$$$ Data More

M. F.

C9H10O4

Suppliers	Catalog Number
Sigma Aldrich	D131601 38680
BioBioPha	BBP01227
MP Biomedicals	05207040

Database	Data ID
PubChem	15109

M. W.

182.1733

CAS

1466-76-8

Similarity

N/A

ID: 89308

3-(2-formylphenyl)prop-2-enoic acid

$$$$ Data More

M. F.

C10H8O3

Suppliers	Catalog Number
Apollo Scientific	OR4818
TRC	F698530
Bide Pharmatech	BD12755

Database	Data ID
PubChem	13628357

M. W.

176.16872

CAS

130036-17-8

Similarity

N/A

ID: 89309

5-methoxybenzene-1,3-dicarboxylic acid

$$$$ Data

M. F.

C9H8O5

Suppliers	Catalog Number
Sigma Aldrich	528242
Apollo Scientific	OR4820
TRC	I821955

Database	Data ID
PubChem	327428

M. W.

196.15682

CAS

46331-50-4

Similarity

N/A

ID: 89310

(1R,2R,3S,4R,5R)-2,3-bis(acetyloxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl acetate

$$$$ Data

M. F.

C12H16O8

Suppliers	Catalog Number
Apollo Scientific	OR4820T

Database	Data ID
PubChem	2734142

M. W.

288.25064

CAS

Similarity

N/A

ID: 89311

3-chloro-6-(1-methylhydrazin-1-yl)pyridazine

$$$$ Data

M. F.

C5H7ClN4

Suppliers	Catalog Number
Apollo Scientific	OR4821

Database	Data ID
PubChem	2735815

M. W.

158.58888

CAS

Similarity

N/A

ID: 89312

1-(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

$$$$ Data

M. F.

C10H9BrO3

Suppliers	Catalog Number
Apollo Scientific	OR4822

Database	Data ID
PubChem	2735568

M. W.

257.08066

CAS

59820-90-5

Similarity

N/A

ID: 89313

2-(4-chloro-3-nitrophenyl)acetonitrile

$$$$ Data

M. F.

C8H5ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR4825

Database	Data ID
PubChem	1516269

M. W.

196.5905

CAS

Similarity

N/A

ID: 89314

2-[4-(dihydroxyboranyl)phenyl]acetic acid

$$$$ Data

M. F.

C8H9BO4

Suppliers	Catalog Number
Apollo Scientific	OR48251
Bide Pharmatech	BD231250
A&J Pharmtech	AJA-O34898

Database	Data ID
PubChem	21878961

M. W.

179.96566

CAS

90111-58-3

Similarity

N/A

ID: 89315

6-methylpyridine-2-carbonyl chloride hydrochloride

$$$$ Data

M. F.

C7H7Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR48252
Enamine	EN300-55141

Database	Data ID
PubChem	45792428

M. W.

192.04258

CAS

60373-34-4

Similarity

N/A

ID: 89316

2-chloro-1,4-dimethylbenzene

$$$$ Data

M. F.

C8H9Cl

Suppliers	Catalog Number
Sigma Aldrich	C73605 26630
MP Biomedicals	05204842
Apollo Scientific	OR48258

Database	Data ID
PubChem	32883

M. W.

140.61006

CAS

95-72-7

Similarity

N/A

ID: 89317

1-bromo-2-iodo-4-nitrobenzene

$$$$ Data

M. F.

C6H3BrINO2

Suppliers	Catalog Number
Apollo Scientific	OR48259
Life Chemicals	F2147-1054

Database	Data ID
PubChem	238692

M. W.

327.90199

CAS

63037-63-8

Similarity

N/A

ID: 89318

2-(cyanomethyl)benzonitrile

$$$$ Data More

M. F.

C9H6N2

Suppliers	Catalog Number
Sigma Aldrich	118133
MP Biomedicals	05223027
Alfa Aesar	L12419

Database	Data ID
PubChem	77368

M. W.

142.15734

CAS

3759-28-2

Similarity

N/A

ID: 89319

(2S)-2-(diphenylmethyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C17H20ClN

Suppliers	Catalog Number
Apollo Scientific	OR48260

Database	Data ID
PubChem	71300054

M. W.

273.8004

CAS

Similarity

N/A

ID: 89320

(1R)-1-(4-bromophenyl)ethan-1-ol

$$$$ Data More

M. F.

C8H9BrO

Suppliers	Catalog Number
Sigma Aldrich	686336
Apollo Scientific	OR48261
Enamine	EN300-56127

Database	Data ID
PubChem	6950173

M. W.

201.06046

CAS

76155-78-7

Similarity

N/A

ID: 89321

pyrimidin-2-ylmethanamine hydrochloride

$$$$ Data

M. F.

C5H8ClN3

Suppliers	Catalog Number
Apollo Scientific	OR48262
Bide Pharmatech	BD70847

Database	Data ID
PubChem	17848325

M. W.

145.59012

CAS

372118-67-7

Similarity

N/A

ID: 89322

ethyl 4-{[(3-chloro-4-methoxyphenyl)methyl]amino}-2-(methylsulfanyl)pyrimidine-5...

$$$$ Data

M. F.

C16H18ClN3O3S

Suppliers	Catalog Number
Apollo Scientific	OR48263

Database	Data ID
PubChem	22025927

M. W.

367.85042

CAS

330785-81-4

Similarity

N/A

ID: 89323

(2R)-2-(4-hydroxyphenyl)propanoic acid

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Apollo Scientific	OR48264

Database	Data ID
PubChem	6971270

M. W.

166.1739

CAS

59092-88-5

Similarity

N/A

ID: 89324

4-[(1R)-1-aminoethyl]phenol

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
Apollo Scientific	OR48265

Database	Data ID
PubChem	14696308

M. W.

137.17904

CAS

134855-88-2

Similarity

N/A

ID: 89325

N,3,3-trimethyl-1,5-dioxaspiro[5.5]undecan-9-amine hydrochloride

$$$$ Data

M. F.

C12H24ClNO2

Suppliers	Catalog Number
Sigma Aldrich	495867
Apollo Scientific	OR48266

Database	Data ID
PubChem	16213653

M. W.

249.77746

CAS

158747-10-5

Similarity

N/A

ID: 89326

(1R,3S,5S)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1...

$$$$ Data

M. F.

C13H22N4

Suppliers	Catalog Number
Apollo Scientific	OR48267

Database	Data ID
PubChem	11356762

M. W.

234.34058

CAS

423165-07-5

Similarity

N/A

ID: 89327

2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

$$$$ Data

M. F.

C11H10ClN3OS

Suppliers	Catalog Number
Apollo Scientific	OR48268
Bide Pharmatech	BD70854
A&J Pharmtech	AJA-O4054

Database	Data ID
PubChem	21911644

M. W.

267.7346

CAS

302964-24-5

Similarity

N/A

ID: 89328

2H-1,3-benzodioxol-5-ylmethanamine

$$$$ Data More

M. F.

C8H9NO2

Suppliers	Catalog Number
Sigma Aldrich	P49503 80840
MP Biomedicals	05216972
Alfa Aesar	B21837

Database	Data ID
PubChem	75799

M. W.

151.16256

CAS

2620-50-0

Similarity

N/A

ID: 89329

3,6-dichloropyridin-2-ol

$$$$ Data

M. F.

C5H3Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR4830

Database	Data ID
PubChem	2735998

M. W.

163.98942

CAS

Similarity

N/A

ID: 89330

1,4-bis(hydroxymethyl)-5-oxa-6-azabicyclo[2.1.1]hexane-2,3-diol

$$$$ Data

M. F.

C6H11NO5

Suppliers	Catalog Number
Apollo Scientific	OR4830T

Database	Data ID
PubChem	21894824

M. W.

177.15524

CAS

132295-44-4

Similarity

N/A

ID: 89331

3-methoxybenzonitrile

$$$$ Data More

M. F.

C8H7NO

Suppliers	Catalog Number
Sigma Aldrich	190233
Alfa Aesar	B24171
Apollo Scientific	OR4831

Database	Data ID
PubChem	73712

M. W.

133.14728

CAS

1527-89-5

Similarity

N/A

ID: 89332

5-(2-chlorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C9H6ClNO

Suppliers	Catalog Number
Apollo Scientific	OR4832

Database	Data ID
PubChem	2735796

M. W.

179.60304

CAS

89808-74-2

Similarity

N/A

ID: 89333

3,4-dihydro-2H-1,4-benzoxazine-3-thione

$$$$ Data

M. F.

C8H7NOS

Suppliers	Catalog Number
Apollo Scientific	OR4833

Database	Data ID
PubChem	2735465

M. W.

165.21228

CAS

Similarity

N/A

ID: 89334

4-methyl-3-nitrobenzonitrile

$$$$ Data More

M. F.

C8H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	510572
Alfa Aesar	L18269
Apollo Scientific	OR4834

Database	Data ID
PubChem	589333

M. W.

162.14544

CAS

939-79-7

Similarity

N/A

ID: 89335

1,4-bis(hydroxymethyl)-5-oxa-6-azabicyclo[2.1.1]hexane-2,3-diol hydrochloride

$$$$ Data

M. F.

C6H12ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR4835T

Database	Data ID
PubChem	71299542

M. W.

213.61618

CAS

Similarity

N/A

ID: 89336

1-chloro-4-isocyanatobenzene

$$$$ Data More

M. F.

C7H4ClNO

Suppliers	Catalog Number
Sigma Aldrich	152277 26000
Alfa Aesar	A14966
Apollo Scientific	OR4836

Database	Data ID
PubChem	7693

M. W.

153.56576

CAS

104-12-1

Similarity

N/A

ID: 89337

5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data More

M. F.

C8H4N2O4

Suppliers	Catalog Number
Sigma Aldrich	332097
Alfa Aesar	A12040
Apollo Scientific	OR4839

Database	Data ID
PubChem	6969

M. W.

192.12836

CAS

89-40-7

Similarity

N/A

ID: 89338

2-hydroxy-2-methylpropanoic acid

$$$$ Data More

M. F.

C4H8O3

Suppliers	Catalog Number
Sigma Aldrich	323594 164976 55390 (more...)
MP Biomedicals	02157455
Alfa Aesar	A13146

Database	Data ID
PubChem	11671

M. W.

104.10452

CAS

594-61-6

Similarity

N/A

ID: 89339

(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.0^{2,6}]undecan-7-...

$$$$ Data

M. F.

C9H14O5

Suppliers	Catalog Number
Apollo Scientific	OR4840T

Database	Data ID
PubChem	10465447

M. W.

202.20446

CAS

52579-97-2

Similarity

N/A

ID: 89340

1-(chloromethoxy)-2-methoxyethane

$$$$ Data More

M. F.

C4H9ClO2

Suppliers	Catalog Number
Sigma Aldrich	357480 193542 64735
MP Biomedicals	02155411
Alfa Aesar	L01050

Database	Data ID
PubChem	77590

M. W.

124.56606

CAS

3970-21-6

Similarity

N/A

ID: 89341

4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.0^{2,6}]undecan-7-ol

$$$$ Data

M. F.

C9H14O5

Suppliers	Catalog Number
Apollo Scientific	OR4842T

Database	Data ID
PubChem	540258

M. W.

202.20446

CAS

14440-51-8

Similarity

N/A

ID: 89342

8-sulfanylquinoline-5-sulfonic acid

$$$$ Data

M. F.

C9H7NO3S2

Suppliers	Catalog Number
Apollo Scientific	OR4843

Database	Data ID
PubChem	186870

M. W.

241.28678

CAS

Similarity

N/A

ID: 89343

(3R,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol

$$$$ Data

M. F.

C6H12O5

Suppliers	Catalog Number
Apollo Scientific	OR4844

Database	Data ID
PubChem	12302973

M. W.

164.15648

CAS

10030-85-0

Similarity

N/A

ID: 89344

thiophene-2-carbohydrazide

$$$$ Data More

M. F.

C5H6N2OS

Suppliers	Catalog Number
Sigma Aldrich	T1388
MP Biomedicals	02156889
Alfa Aesar	A11270

Database	Data ID
PubChem	73098

M. W.

142.17894

CAS

2361-27-5

Similarity

N/A

ID: 89345

methoxycarbohydrazide

$$$$ Data More

M. F.

C2H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	151653
Alfa Aesar	A14548
Apollo Scientific	OR4850

Database	Data ID
PubChem	80519

M. W.

90.08124

CAS

6294-89-9

Similarity

N/A

ID: 89346

prop-1-yne

$$$$ Data

M. F.

C3H4

Suppliers	Catalog Number
Sigma Aldrich	480983 295493
Apollo Scientific	OR4851

Database	Data ID
Wikipedia	Methylacetylene
PubChem	6335

M. W.

40.06386

CAS

74-99-7

Similarity

N/A

ID: 89347

7-ethoxy-4-methyl-2H-chromen-2-one

$$$$ Data More

M. F.

C12H12O3

Suppliers	Catalog Number
Sigma Aldrich	46116 544329
MP Biomedicals	05210746
Alfa Aesar	B20065

Database	Data ID
PubChem	66595

M. W.

204.22188

CAS

87-05-8

Similarity

N/A

ID: 89348

2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethan-1-ol

$$$$ Data

M. F.

C6H14O2S2

Suppliers	Catalog Number
Sigma Aldrich	D5295 235334 62150
Alfa Aesar	A17654
Apollo Scientific	OR4854

Database	Data ID
PubChem	78904

M. W.

182.30416

CAS

5244-34-8

Similarity

N/A

ID: 89349

2-bromo-2-(bromomethyl)pentanedinitrile

$$$$ Data

M. F.

C6H6Br2N2

Suppliers	Catalog Number
Sigma Aldrich	34392
Alfa Aesar	L18725
Apollo Scientific	OR4855

Database	Data ID
PubChem	61948

M. W.

265.93324

CAS

35691-65-7

Similarity

N/A

ID: 89350

1-benzyl-5-ethoxyimidazolidine-2,4-dione

$$$$ Data

M. F.

C12H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR4856
Bide Pharmatech	BD22059
A&J Pharmtech	AJA-O10955

Database	Data ID
PubChem	4079622

M. W.

234.25116

CAS

65855-02-9

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