Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
Sigma Aldrich	398756
Matrix Scientific	059014
Enamine	EN300-06217

Database	Data ID
PubChem	688202

M. W.

215.24782

CAS

18300-89-5

Similarity

N/A

ID: 54102

(1E)-cyclooct-1-ene-1-carbaldehyde

$$$$ Data

M. F.

C9H14O

Suppliers	Catalog Number
Matrix Scientific	059015

Database	Data ID
PubChem	11073501

M. W.

138.20686

CAS

Similarity

N/A

ID: 54103

ethyl (2E)-2-methyl-3-[(1-phenylethyl)amino]but-2-enoate

$$$$ Data

M. F.

C15H21NO2

Suppliers	Catalog Number
Matrix Scientific	059016

Database	Data ID
PubChem	56832333

M. W.

247.33274

CAS

Similarity

N/A

ID: 54104

2-(1-ethoxyethylidene)propanedinitrile

$$$$ Data More

M. F.

C7H8N2O

Suppliers	Catalog Number
Sigma Aldrich	159263
Matrix Scientific	059017
Apollo Scientific	OR13891

Database	Data ID
PubChem	79450

M. W.

136.15122

CAS

5417-82-3

Similarity

N/A

ID: 54105

ethyl 4-acetyl-5-methyl-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C9H11NO4

Suppliers	Catalog Number
Matrix Scientific	059018
Apollo Scientific	OR8623
A&J Pharmtech	AJA-O12174 AJA-O12845

Database	Data ID
PubChem	27536

M. W.

197.18794

CAS

15911-11-2

Similarity

N/A

ID: 54106

ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C9H11NO3S

Suppliers	Catalog Number
Matrix Scientific	059019

Database	Data ID
PubChem	50998908

M. W.

213.25354

CAS

Similarity

N/A

ID: 54107

ethyl 5-acetyl-2-phenyl-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C14H13NO3S

Suppliers	Catalog Number
Matrix Scientific	059020

Database	Data ID
PubChem	2745356

M. W.

275.32292

CAS

Similarity

N/A

ID: 54108

ethyl 1-bromocyclobutane-1-carboxylate

$$$$ Data

M. F.

C7H11BrO2

Suppliers	Catalog Number
Sigma Aldrich	197297
Matrix Scientific	059021

Database	Data ID
PubChem	97595

M. W.

207.06504

CAS

35120-18-4

Similarity

N/A

ID: 54109

ethyl 3-amino-4,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	059022

Database	Data ID
PubChem	49758915

M. W.

233.2664

CAS

Similarity

N/A

ID: 54110

ethyl 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C12H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	059023

Database	Data ID
PubChem	334460

M. W.

250.31676

CAS

52505-56-3

Similarity

N/A

ID: 54111

ethyl [(E)-N'-hydroxycarbamimidoyl]formate

$$$$ Data

M. F.

C4H8N2O3

Suppliers	Catalog Number
Matrix Scientific	059024

Database	Data ID
PubChem	6411350

M. W.

132.11792

CAS

10489-74-4

Similarity

N/A

ID: 54112

ethyl 5-(2-bromoacetyl)-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C8H8BrNO4

Suppliers	Catalog Number
Matrix Scientific	059025
Maybridge	SPB04489
Apollo Scientific	OR1266

Database	Data ID
PubChem	2736373

M. W.

262.05742

CAS

104776-74-1

Similarity

N/A

ID: 54113

ethyl 4-(2-bromoacetyl)-5-methyl-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C9H10BrNO4

Suppliers	Catalog Number
Matrix Scientific	059026

Database	Data ID
PubChem	1487272

M. W.

276.084

CAS

Similarity

N/A

ID: 54114

ethyl 5-(bromomethyl)-3-methyl-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C8H10BrNO3

Suppliers	Catalog Number
Matrix Scientific	059027

Database	Data ID
PubChem	10014880

M. W.

248.0739

CAS

Similarity

N/A

ID: 54115

acetic acid ethyl 1-carbamimidoylpiperidine-4-carboxylate

$$$$ Data

M. F.

C11H21N3O4

Suppliers	Catalog Number
Matrix Scientific	059028

Database	Data ID
PubChem	50998878

M. W.

259.30214

CAS

Similarity

N/A

ID: 54116

ethyl 6-chloro-5-cyano-2-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	059029

Database	Data ID
PubChem	2786689

M. W.

224.64366

CAS

Similarity

N/A

ID: 54117

ethyl 3-(chloromethyl)-1,2,4-oxadiazole-5-carboxylate

$$$$ Data

M. F.

C6H7ClN2O3

Suppliers	Catalog Number
Matrix Scientific	059030

Database	Data ID
PubChem	27282007

M. W.

190.58438

CAS

25977-19-9

Similarity

N/A

ID: 54118

ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C6H7ClN2O3

Suppliers	Catalog Number
Matrix Scientific	059031
Bide Pharmatech	BD162456
A&J Pharmtech	AJA-O9133

Database	Data ID
PubChem	42605226

M. W.

190.58438

CAS

1009620-97-6

Similarity

N/A

ID: 54119

ethyl 2-(4-chlorophenoxy)-3-oxobutanoate

$$$$ Data

M. F.

C12H13ClO4

Suppliers	Catalog Number
Matrix Scientific	059032

Database	Data ID
PubChem	15678688

M. W.

256.68222

CAS

Similarity

N/A

ID: 54120

ethyl 3-(3-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate

$$$$ Data

M. F.

C11H9ClN2O3

Suppliers	Catalog Number
Matrix Scientific	059033

Database	Data ID
PubChem	1472624

M. W.

252.65376

CAS

478030-49-8

Similarity

N/A

ID: 54121

ethyl 5-(3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C11H9ClN2O3

Suppliers	Catalog Number
Matrix Scientific	059034

Database	Data ID
PubChem	56828342

M. W.

252.65376

CAS

Similarity

N/A

ID: 54122

ethyl 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

$$$$ Data

M. F.

C14H16ClF3N2O2

Suppliers	Catalog Number
Matrix Scientific	059035

Database	Data ID
PubChem	50998907

M. W.

336.7372496

CAS

Similarity

N/A

ID: 54123

ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate

$$$$ Data

M. F.

C10H9ClF3NO2

Suppliers	Catalog Number
Matrix Scientific	059036

Database	Data ID
PubChem	50998866

M. W.

267.6321696

CAS

Similarity

N/A

ID: 54124

ethyl 2-[(3-cyano-4,6-dimethylpyridin-2-yl)amino]acetate

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	059037

Database	Data ID
PubChem	50998920

M. W.

233.2664

CAS

Similarity

N/A

ID: 54125

ethyl 1-(2-cyanoethyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C11H18N2O2

Suppliers	Catalog Number
Matrix Scientific	059038

Database	Data ID
PubChem	43084552

M. W.

210.27282

CAS

Similarity

N/A

ID: 54126

ethyl 5-cyano-6-hydroxy-2-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Matrix Scientific	059039

Database	Data ID
PubChem	3016759

M. W.

206.198

CAS

Similarity

N/A

ID: 54127

ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate

$$$$ Data More

M. F.

C8H12N2O2

Suppliers	Catalog Number
Matrix Scientific	059040
Maybridge	SPB05352
Apollo Scientific	OR29763

Database	Data ID
PubChem	138577

M. W.

168.19308

CAS

5744-51-4

Similarity

N/A

ID: 54128

ethyl 2,4-dioxopentanoate

$$$$ Data More

M. F.

C7H10O4

Suppliers	Catalog Number
Sigma Aldrich	232564
Alfa Aesar	A13808
Matrix Scientific	059041

Database	Data ID
PubChem	69208

M. W.

158.1519

CAS

615-79-2

Similarity

N/A

ID: 54129

ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate

$$$$ Data

M. F.

C9H17NO4

Suppliers	Catalog Number
Matrix Scientific	059042

Database	Data ID
PubChem	281012

M. W.

203.23558

CAS

Similarity

N/A

ID: 54130

ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C12H21NO4

Suppliers	Catalog Number
Matrix Scientific	059043
Apollo Scientific	OR22875
Bide Pharmatech	BD148215

Database	Data ID
PubChem	74605

M. W.

243.29944

CAS

1838-39-7

Similarity

N/A

ID: 54131

ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate

$$$$ Data

M. F.

C11H9FN2O3

Suppliers	Catalog Number
Matrix Scientific	059044
A&J Pharmtech	AJA-O31403

Database	Data ID
PubChem	1419107

M. W.

236.1991632

CAS

163719-81-1

Similarity

N/A

ID: 54132

ethyl 5-formyl-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C7H7NO4

Suppliers	Catalog Number
Matrix Scientific	059045

Database	Data ID
PubChem	14439317

M. W.

169.13478

CAS

Similarity

N/A

ID: 54133

ethyl 5-formyl-3-methyl-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C8H9NO4

Suppliers	Catalog Number
Matrix Scientific	059046

Database	Data ID
PubChem	14669001

M. W.

183.16136

CAS

Similarity

N/A

ID: 54134

ethyl 5-(hydroxymethyl)-3-methyl-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C8H11NO4

Suppliers	Catalog Number
Matrix Scientific	059047

Database	Data ID
PubChem	13321082

M. W.

185.17724

CAS

Similarity

N/A

ID: 54135

N-ethylsulfamoyl chloride

$$$$ Data

M. F.

C2H6ClNO2S

Suppliers	Catalog Number
Matrix Scientific	059048
Enamine	EN300-71869

Database	Data ID
PubChem	11040810

M. W.

143.59254

CAS

16548-07-5

Similarity

N/A

ID: 54136

ethyl 2-(4-methoxyphenoxy)-3-oxobutanoate

$$$$ Data

M. F.

C13H16O5

Suppliers	Catalog Number
Matrix Scientific	059049

Database	Data ID
PubChem	56832334

M. W.

252.26314

CAS

Similarity

N/A

ID: 54137

ethyl 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylate

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	059050

Database	Data ID
PubChem	16766590

M. W.

248.23468

CAS

Similarity

N/A

ID: 54138

ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C6H8N2O3

Suppliers	Catalog Number
Matrix Scientific	059051
Enamine	EN300-117730
Bide Pharmatech	BD129664

Database	Data ID
PubChem	13597566

M. W.

156.13932

CAS

40699-38-5

Similarity

N/A

ID: 54139

ethyl 2-methyl-1,3-thiazole-4-carboxylate

$$$$ Data More

M. F.

C7H9NO2S

Suppliers	Catalog Number
Sigma Aldrich	716308
Matrix Scientific	059052
Maybridge	SPB02288

Database	Data ID
PubChem	293353

M. W.

171.21686

CAS

6436-59-5

Similarity

N/A

ID: 54140

ethyl 3-phenyl-1,2,4-oxadiazole-5-carboxylate

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Matrix Scientific	059053
Enamine	EN300-25733
A&J Pharmtech	AJA-O13168

Database	Data ID
PubChem	6461838

M. W.

218.2087

CAS

37760-54-6

Similarity

N/A

ID: 54141

ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C13H11F3N2O2

Suppliers	Catalog Number
Matrix Scientific	059054

Database	Data ID
PubChem	11448972

M. W.

284.2338496

CAS

Similarity

N/A

ID: 54142

ethyl 3-(pyridin-3-yl)-1,2,4-oxadiazole-5-carboxylate

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
Matrix Scientific	059055

Database	Data ID
PubChem	24944453

M. W.

219.19676

CAS

Similarity

N/A

ID: 54143

ethyl 1-tert-butyl-5-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C11H18N2O2

Suppliers	Catalog Number
Matrix Scientific	059056
Maybridge	SPB07970
Apollo Scientific	OR30041

Database	Data ID
PubChem	2800557

M. W.

210.27282

CAS

519056-54-3

Similarity

N/A

ID: 54144

ethyl 5-({[(tert-butoxy)carbonyl]amino}methyl)-1,3,4-oxadiazole-2-carboxylate

$$$$ Data

M. F.

C11H17N3O5

Suppliers	Catalog Number
Matrix Scientific	059057

Database	Data ID
PubChem	10084542

M. W.

271.26978

CAS

Similarity

N/A

ID: 54145

ethyl 5-(2-{[(tert-butoxy)carbonyl]amino}ethyl)-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C12H19N3O5

Suppliers	Catalog Number
Matrix Scientific	059058
Bide Pharmatech	BD162568

Database	Data ID
PubChem	11507493

M. W.

285.29636

CAS

652158-82-2

Similarity

N/A

ID: 54146

ethyl 5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C12H9F3N2O3

Suppliers	Catalog Number
Matrix Scientific	059059

Database	Data ID
PubChem	56828341

M. W.

286.2066696

CAS

Similarity

N/A

ID: 54147

ethyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C7H6F3NO2S

Suppliers	Catalog Number
Matrix Scientific	059060
Bide Pharmatech	BD226160

Database	Data ID
PubChem	20079591

M. W.

225.1882496

CAS

133046-46-5

Similarity

N/A

ID: 54148

(3E)-4-[2-(trifluoromethyl)phenyl]but-3-en-2-one

$$$$ Data

M. F.

C11H9F3O

Suppliers	Catalog Number
Matrix Scientific	059061

Database	Data ID
PubChem	5373244

M. W.

214.1837696

CAS

76293-37-3

Similarity

N/A

ID: 54149

2-fluorobenzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C7H8ClFN2

Suppliers	Catalog Number
Matrix Scientific	059062
Bide Pharmatech	BD29086
A&J Pharmtech	AJA-O33657

Database	Data ID
PubChem	11715262

M. W.

174.6032232

CAS

57075-81-7

Similarity

N/A

ID: 54150

4-fluorobenzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C7H8ClFN2

Suppliers	Catalog Number
Matrix Scientific	059063
Enamine	EN300-75699
A&J Pharmtech	AJA-O33644 AJA-O9938

Database	Data ID
PubChem	12456160

M. W.

174.6032232

CAS

2339-59-5

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