Chembase list of 866358 unique molecular structures

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl 2-methylbutanoate

$$$$ Data

M. F.

C9H9F9O2

Suppliers	Catalog Number
Apollo Scientific	PC2894

Database	Data ID
PubChem	44717368

M. W.

320.1521888

CAS

Similarity

N/A

ID: 95102

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl acetate

$$$$ Data

M. F.

C6H3F9O2

Suppliers	Catalog Number
Apollo Scientific	PC2895

Database	Data ID
PubChem	23236325

M. W.

278.0724488

CAS

Similarity

N/A

ID: 95103

[2-fluoro-4-(trifluoromethyl)phenyl]hydrazine hydrochloride

$$$$ Data

M. F.

C7H7ClF4N2

Suppliers	Catalog Number
Apollo Scientific	PC2896

Database	Data ID
PubChem	44717383

M. W.

230.5904928

CAS

Similarity

N/A

ID: 95104

[2-chloro-4-(trifluoromethyl)phenyl]hydrazine hydrochloride

$$$$ Data

M. F.

C7H7Cl2F3N2

Suppliers	Catalog Number
Apollo Scientific	PC2897

Database	Data ID
PubChem	44717388

M. W.

247.0450896

CAS

Similarity

N/A

ID: 95105

4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butan-1-one

$$$$ Data

M. F.

C11H8F6O2

Suppliers	Catalog Number
Apollo Scientific	PC2899

Database	Data ID
PubChem	11822231

M. W.

286.1704392

CAS

731-00-0

Similarity

N/A

ID: 95106

1,1,3,3-tetrachloro-1,3-difluoropropan-2-one

$$$$ Data

M. F.

C3Cl4F2O

Suppliers	Catalog Number
MP Biomedicals	05222472
Apollo Scientific	PC2900

Database	Data ID
PubChem	238417

M. W.

231.8403064

CAS

79-51-6

Similarity

N/A

ID: 95107

docosafluorodecane

$$$$ Data

M. F.

C10F22

Suppliers	Catalog Number
Apollo Scientific	PC2903 PC3312R PC3312G

Database	Data ID
PubChem	120203

M. W.

538.0718704

CAS

307-45-9

Similarity

N/A

ID: 95108

3-fluoropropyl trifluoromethanesulfonate

$$$$ Data

M. F.

C4H6F4O3S

Suppliers	Catalog Number
Apollo Scientific	PC2905

Database	Data ID
PubChem	44717394

M. W.

210.1472528

CAS

180597-96-0

Similarity

N/A

ID: 95109

3,5-difluoro-4-iodoaniline

$$$$ Data

M. F.

C6H4F2IN

Suppliers	Catalog Number
Apollo Scientific	PC2906
Enamine	EN300-61534
A&J Pharmtech	AJA-O3419

Database	Data ID
PubChem	12982461

M. W.

255.0039364

CAS

1542-34-3

Similarity

N/A

ID: 95110

5-fluoro-3-methyl-1-benzothiophene-2-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClFO2S2

Suppliers	Catalog Number
Apollo Scientific	PC2907

Database	Data ID
PubChem	2774586

M. W.

264.7241432

CAS

Similarity

N/A

ID: 95111

4,4,5,5,6,6,7,7,8,8,8-undecafluorooctanoic acid

$$$$ Data

M. F.

C8H5F11O2

Suppliers	Catalog Number
Apollo Scientific	PC2908

Database	Data ID
PubChem	14632790

M. W.

342.1065352

CAS

Similarity

N/A

ID: 95112

1,1,1-trifluorobutane

$$$$ Data

M. F.

C4H7F3

Suppliers	Catalog Number
Apollo Scientific	PC2909

Database	Data ID
PubChem	14512801

M. W.

112.0935896

CAS

460-34-4

Similarity

N/A

ID: 95113

2,3-difluoro-4-iodophenol

$$$$ Data

M. F.

C6H3F2IO

Suppliers	Catalog Number
Apollo Scientific	PC2912
A&J Pharmtech	AJA-O521

Database	Data ID
PubChem	21740077

M. W.

255.9886964

CAS

144292-40-0

Similarity

N/A

ID: 95114

potassium (4-chlorophenyl)trifluoroboranuide

$$$$ Data

M. F.

C6H4BClF3K

Suppliers	Catalog Number
Sigma Aldrich	657077
Alfa Aesar	H53231
Apollo Scientific	PC2917

Database	Data ID
PubChem	23682053

M. W.

218.4534696

CAS

661465-44-7

Similarity

N/A

ID: 95115

5-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride

$$$$ Data More

M. F.

C12H14ClFN2O

Suppliers	Catalog Number
Alfa Aesar	H33044
Maybridge	MO07029
Apollo Scientific	PC2919

Database	Data ID
PubChem	2794754

M. W.

256.7037632

CAS

84163-16-6

Similarity

N/A

ID: 95116

1,1,2,2-tetrachloro-1,2-difluoroethane

$$$$ Data

M. F.

C2Cl4F2

Suppliers	Catalog Number
Apollo Scientific	PC2920

Database	Data ID
PubChem	6427

M. W.

203.8302064

CAS

76-12-0

Similarity

N/A

ID: 95117

5-chloro-2-fluoro-3-nitropyridine

$$$$ Data

M. F.

C5H2ClFN2O2

Suppliers	Catalog Number
Apollo Scientific	PC2921
Bide Pharmatech	BD29201
A&J Pharmtech	AJA-O29464

Database	Data ID
PubChem	12275768

M. W.

176.5329832

CAS

60186-16-5

Similarity

N/A

ID: 95118

2,3,5,6-tetrachloro-4-(trifluoromethyl)benzoyl chloride

$$$$ Data

M. F.

C8Cl5F3O

Suppliers	Catalog Number
Apollo Scientific	PC2922

Database	Data ID
PubChem	14008846

M. W.

346.3452096

CAS

117338-22-4

Similarity

N/A

ID: 95119

methyl 2-fluoro-2-methylpropanoate

$$$$ Data

M. F.

C5H9FO2

Suppliers	Catalog Number
Apollo Scientific	PC2925
Bide Pharmatech	BD138275
A&J Pharmtech	AJA-O34658

Database	Data ID
PubChem	9793744

M. W.

120.1221632

CAS

338-76-1

Similarity

N/A

ID: 95120

3-[(2-fluorophenyl)amino]propanoic acid

$$$$ Data

M. F.

C9H10FNO2

Suppliers	Catalog Number
Apollo Scientific	PC2927

Database	Data ID
PubChem	17244967

M. W.

183.1796032

CAS

38470-19-8

Similarity

N/A

ID: 95121

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol

$$$$ Data

M. F.

C10H12F3N3O

Suppliers	Catalog Number
Apollo Scientific	PC2931
Bide Pharmatech	BD51435
A&J Pharmtech	AJA-O5922

Database	Data ID
PubChem	2795837

M. W.

247.2169896

CAS

401930-07-2

Similarity

N/A

ID: 95122

2-nitro-5-(trifluoromethoxy)benzoic acid

$$$$ Data

M. F.

C8H4F3NO5

Suppliers	Catalog Number
Apollo Scientific	PC2932
Chemik	CHB38312
A&J Pharmtech	AJA-O23626

Database	Data ID
PubChem	21904613

M. W.

251.1162696

CAS

189359-65-7

Similarity

N/A

ID: 95123

3-chloro-5-(trifluoromethoxy)benzoic acid

$$$$ Data

M. F.

C8H4ClF3O3

Suppliers	Catalog Number
Alfa Aesar	H26279
Apollo Scientific	PC2933
A&J Pharmtech	AJA-O29672

Database	Data ID
PubChem	17750735

M. W.

240.5637696

CAS

433926-46-6

Similarity

N/A

ID: 95124

5-bromo-3-(trifluoromethyl)benzene-1,2-diamine

$$$$ Data

M. F.

C7H6BrF3N2

Suppliers	Catalog Number
Apollo Scientific	PC2934

Database	Data ID
PubChem	10515152

M. W.

255.0351496

CAS

157026-19-2

Similarity

N/A

ID: 95125

4-fluoro-1H-1,3-benzodiazole

$$$$ Data

M. F.

C7H5FN2

Suppliers	Catalog Number
Apollo Scientific	PC2936

Database	Data ID
PubChem	345376

M. W.

136.1264032

CAS

5847-89-2

Similarity

N/A

ID: 95126

4-(trifluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H5F3N2

Suppliers	Catalog Number
Apollo Scientific	PC2937

Database	Data ID
PubChem	345382

M. W.

186.1339096

CAS

392-11-0

Similarity

N/A

ID: 95127

6-bromo-4-(trifluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H4BrF3N2

Suppliers	Catalog Number
Apollo Scientific	PC2938

Database	Data ID
PubChem	26985474

M. W.

265.0299696

CAS

Similarity

N/A

ID: 95128

bromo[(3,4-difluorophenyl)methyl]magnesium

$$$$ Data

M. F.

C7H5BrF2Mg

Suppliers	Catalog Number
Alfa Aesar	H54312
Apollo Scientific	PC2944

Database	Data ID
PubChem	2778253

M. W.

231.3204064

CAS

738580-43-3

Similarity

N/A

ID: 95129

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane hydrochloride

$$$$ Data

M. F.

C11H14Cl2F3N3

Suppliers	Catalog Number
Apollo Scientific	PC2945

Database	Data ID
PubChem	44717395

M. W.

316.1501696

CAS

287114-27-6

Similarity

N/A

ID: 95130

bromo(3-chloro-4-fluorophenyl)magnesium

$$$$ Data

M. F.

C6H3BrClFMg

Suppliers	Catalog Number
Sigma Aldrich	563676 567698
Alfa Aesar	H54700
Apollo Scientific	PC2947

Database	Data ID
PubChem	2778256

M. W.

233.7484232

CAS

413589-34-1

Similarity

N/A

ID: 95131

5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C12H10F3NO3

Suppliers	Catalog Number
Apollo Scientific	PC2954
Enamine	EN300-86785

Database	Data ID
PubChem	16228336

M. W.

273.2079096

CAS

Similarity

N/A

ID: 95132

1-fluorocyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C7H11FO2

Suppliers	Catalog Number
Apollo Scientific	PC2955
Bide Pharmatech	BD58386

Database	Data ID
PubChem	11094762

M. W.

146.1594432

CAS

117169-31-0

Similarity

N/A

ID: 95133

1,1,1,3,3,3-hexafluoro-2-methylpropane

$$$$ Data

M. F.

C4H4F6

Suppliers	Catalog Number
Apollo Scientific	PC2956

Database	Data ID
PubChem	2778258

M. W.

166.0649792

CAS

382-09-2

Similarity

N/A

ID: 95134

bromo(3,4,5-trifluorophenyl)magnesium

$$$$ Data

M. F.

C6H2BrF3Mg

Suppliers	Catalog Number
Sigma Aldrich	561797
Alfa Aesar	H54620
Apollo Scientific	PC2957

Database	Data ID
PubChem	2778259

M. W.

235.2842896

CAS

156006-28-9

Similarity

N/A

ID: 95135

4-bromo-2-fluoro-3-methoxybenzoic acid

$$$$ Data

M. F.

C8H6BrFO3

Suppliers	Catalog Number
Apollo Scientific	PC2960
A&J Pharmtech	AJA-O10273

Database	Data ID
PubChem	16102676

M. W.

249.0338432

CAS

194804-92-7

Similarity

N/A

ID: 95136

3-nitro-5-(trifluoromethyl)phenol

$$$$ Data

M. F.

C7H4F3NO3

Suppliers	Catalog Number
Alfa Aesar	H26113
Apollo Scientific	PC2962

Database	Data ID
PubChem	2756251

M. W.

207.1067696

CAS

349-57-5

Similarity

N/A

ID: 95137

4,4,4-trifluorobutyl trifluoromethanesulfonate

$$$$ Data

M. F.

C5H6F6O3S

Suppliers	Catalog Number
Apollo Scientific	PC2971

Database	Data ID
PubChem	44717369

M. W.

260.1547592

CAS

Similarity

N/A

ID: 95138

3-bromo-5-chloro-2-fluoropyridine

$$$$ Data

M. F.

C5H2BrClFN

Suppliers	Catalog Number
Apollo Scientific	PC2973
Bide Pharmatech	BD35279
A&J Pharmtech	AJA-O2210 AJA-O32177

Database	Data ID
PubChem	40427010

M. W.

210.4314832

CAS

884494-87-5

Similarity

N/A

ID: 95139

2-(difluoromethoxy)-6-fluoropyridine

$$$$ Data

M. F.

C6H4F3NO

Suppliers	Catalog Number
Apollo Scientific	PC2974
Bide Pharmatech	BD160537

Database	Data ID
PubChem	26985479

M. W.

163.0972696

CAS

947534-62-5

Similarity

N/A

ID: 95140

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl trifluoromethanesulfonate

$$$$ Data

M. F.

C9H2F18O3S

Suppliers	Catalog Number
Apollo Scientific	PC2975

Database	Data ID
PubChem	11016909

M. W.

532.1466376

CAS

17352-09-9

Similarity

N/A

ID: 95141

2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C8H7F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC2978

Database	Data ID
PubChem	2775677

M. W.

204.1491896

CAS

Similarity

N/A

ID: 95142

3-(trifluoromethyl)benzene-1-sulfonamide

$$$$ Data More

M. F.

C7H6F3NO2S

Suppliers	Catalog Number
Sigma Aldrich	563560
Alfa Aesar	L19715
Apollo Scientific	PC2979

Database	Data ID
PubChem	244076

M. W.

225.1882496

CAS

672-58-2

Similarity

N/A

ID: 95143

1,1,2,2-tetrafluoro-1,2-diiodoethane

$$$$ Data

M. F.

C2F4I2

Suppliers	Catalog Number
Alfa Aesar	A10954
Apollo Scientific	PC2980

Database	Data ID
PubChem	67720

M. W.

353.8239528

CAS

354-65-4

Similarity

N/A

ID: 95144

5-[3,5-bis(trifluoromethyl)phenyl]furan-2-carbaldehyde

$$$$ Data

M. F.

C13H6F6O2

Suppliers	Catalog Number
Apollo Scientific	PC2982

Database	Data ID
PubChem	737210

M. W.

308.1759592

CAS

Similarity

N/A

ID: 95145

4-fluoro-2-methylbenzoyl chloride

$$$$ Data

M. F.

C8H6ClFO

Suppliers	Catalog Number
Apollo Scientific	PC2985

Database	Data ID
PubChem	3868223

M. W.

172.5840432

CAS

21900-43-6

Similarity

N/A

ID: 95146

5-fluoro-2-(trifluoromethyl)aniline

$$$$ Data

M. F.

C7H5F4N

Suppliers	Catalog Number
Alfa Aesar	H26657
Apollo Scientific	PC2986

Database	Data ID
PubChem	17750836

M. W.

179.1149128

CAS

827-20-3

Similarity

N/A

ID: 95147

3-chloro-4-fluoropyridine

$$$$ Data

M. F.

C5H3ClFN

Suppliers	Catalog Number
Apollo Scientific	PC2990
A&J Pharmtech	AJA-O32277

Database	Data ID
PubChem	3454979

M. W.

131.5354232

CAS

2546-56-7

Similarity

N/A

ID: 95148

6-fluoro-5-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5FN2

Suppliers	Catalog Number
Apollo Scientific	PC2991
A&J Pharmtech	AJA-O13361

Database	Data ID
PubChem	23288269

M. W.

136.1264032

CAS

261625-67-6

Similarity

N/A

ID: 95149

2-fluoro-4-nitropyridine

$$$$ Data

M. F.

C5H3FN2O2

Suppliers	Catalog Number
Apollo Scientific	PC2992
Bide Pharmatech	BD2562
A&J Pharmtech	AJA-O13386

Database	Data ID
PubChem	2762829

M. W.

142.0879232

CAS

18614-46-5

Similarity

N/A

ID: 95150

2-fluoro-1,4-dimethoxybenzene

$$$$ Data More

M. F.

C8H9FO2

Suppliers	Catalog Number
Alfa Aesar	L13505
Apollo Scientific	PC3001
Chemik	CHB85978

Database	Data ID
PubChem	145002

M. W.

156.1542632

CAS

82830-49-7

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