Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H16O5

Suppliers	Catalog Number
Sigma Aldrich	D97002 55270
MP Biomedicals	05202004

Database	Data ID
PubChem	96259

M. W.

204.22034

CAS

32328-03-3

Similarity

N/A

ID: 106952

N,N-diethylhydroxylamine

$$$$ Data More

M. F.

C4H11NO

Suppliers	Catalog Number
Sigma Aldrich	473235 471593 32370
MP Biomedicals	05202005
Alfa Aesar	B23302

Database	Data ID
Wikipedia	Diethylhydroxylamine
PubChem	19463

M. W.

89.13624

CAS

3710-84-7

Similarity

N/A

ID: 106953

1,3-diethyl 2,2-diethylpropanedioate

$$$$ Data More

M. F.

C11H20O4

Suppliers	Catalog Number
Sigma Aldrich	156817
MP Biomedicals	05202007
Alfa Aesar	B23810

Database	Data ID
PubChem	66165

M. W.

216.2741

CAS

77-25-8

Similarity

N/A

ID: 106954

N,N-diethylpiperidine-3-carboxamide

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
Sigma Aldrich	417122
MP Biomedicals	05202009
Life Chemicals	F2145-0677

Database	Data ID
PubChem	18793

M. W.

184.2786

CAS

3367-95-1

Similarity

N/A

ID: 106955

1,3-diethyl 2-ethyl-2-methylpropanedioate

$$$$ Data

M. F.

C10H18O4

Suppliers	Catalog Number
MP Biomedicals	05202013

Database	Data ID
PubChem	16293

M. W.

202.24752

CAS

2049-70-9

Similarity

N/A

ID: 106956

bis(2-methylpropyl)amine

$$$$ Data

M. F.

C8H19N

Suppliers	Catalog Number
Sigma Aldrich	135186 38160
MP Biomedicals	05202032
Alfa Aesar	L15495

Database	Data ID
PubChem	8085

M. W.

129.24316

CAS

110-96-3

Similarity

N/A

ID: 106957

1,2-dimethoxy-4-(prop-2-en-1-yl)benzene

$$$$ Data More

M. F.

C11H14O2

Suppliers	Catalog Number
Sigma Aldrich	284424 W247502 04607
BioBioPha	BBP02980
MP Biomedicals	05202038

Database	Data ID
Wikipedia	Methyl_eugenol
PubChem	7127

M. W.

178.22766

CAS

93-15-2

Similarity

N/A

ID: 106958

ammonium 3-methylbutanoate

$$$$ Data

M. F.

C5H13NO2

Suppliers	Catalog Number
MP Biomedicals	05202049

Database	Data ID
PubChem	10103158

M. W.

119.16222

CAS

7563-33-9

Similarity

N/A

ID: 106959

2-methylbutan-2-amine

$$$$ Data

M. F.

C5H13N

Suppliers	Catalog Number
Sigma Aldrich	176990
MP Biomedicals	05202052
Alfa Aesar	B24639

Database	Data ID
PubChem	68986

M. W.

87.16342

CAS

594-39-8

Similarity

N/A

ID: 106960

3,6-diamino-2,7,10-trimethylacridin-10-ium chloride

$$$$ Data

M. F.

C16H18ClN3

Suppliers	Catalog Number
MP Biomedicals	05202060

Database	Data ID
PubChem	38475

M. W.

287.78722

CAS

6441-73-2

Similarity

N/A

ID: 106961

2-methoxybenzaldehyde

$$$$ Data More

M. F.

C8H8O2

Suppliers	Catalog Number
Sigma Aldrich	109622 W407701 W506400 (more...)
MP Biomedicals	05202066
Alfa Aesar	A10770

Database	Data ID
PubChem	8658

M. W.

136.14792

CAS

135-02-4

Similarity

N/A

ID: 106962

(2R)-2-amino-3-chloropropanoic acid

$$$$ Data

M. F.

C3H6ClNO2

Suppliers	Catalog Number
Sigma Aldrich	609234
MP Biomedicals	05202067
A&J Pharmtech	AJA-O1053

Database	Data ID
PubChem	439772

M. W.

123.53824

CAS

2731-73-9

Similarity

N/A

ID: 106963

barium(2+) ion bis(4-cyclohexylbutanoate)

$$$$ Data

M. F.

C20H34BaO4

Suppliers	Catalog Number
MP Biomedicals	05202071
Alfa Aesar	87257

Database	Data ID
PubChem	112911

M. W.

475.80856

CAS

62669-65-2

Similarity

N/A

ID: 106964

barium(2+) ion bis(2-hydroxypropanoate)

$$$$ Data

M. F.

C6H10BaO6

Suppliers	Catalog Number
MP Biomedicals	05202072

Database	Data ID
PubChem	6453109

M. W.

315.467

CAS

54983-89-0

Similarity

N/A

ID: 106965

tetramethylazanium acetate

$$$$ Data

M. F.

C6H15NO2

Suppliers	Catalog Number
Sigma Aldrich	245070 87695
MP Biomedicals	05202075
Bide Pharmatech	BD153576

Database	Data ID
PubChem	82741

M. W.

133.1888

CAS

10581-12-1

Similarity

N/A

ID: 106966

tetraammonium dioxo(phosphonato)tungstenbis(olate)

$$$$ Data

M. F.

H16N4O7PW

Suppliers	Catalog Number
MP Biomedicals	05202080

Database	Data ID
PubChem	21895889

M. W.

398.963401

CAS

Similarity

N/A

ID: 106967

stibanylidyne

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	266604 264830 266337 (more...)
MP Biomedicals	05202083 05206115
Alfa Aesar	11676 10098 14207 (more...)

Database	Data ID
Wikipedia	Stibine
PubChem	5354495

M. W.

121.76

CAS

10025-91-9

Similarity

N/A

ID: 106968

chlorodibromanuide; tetramethylazanium

$$$$ Data

M. F.

C4H12Br2ClN

Suppliers	Catalog Number
MP Biomedicals	05202084

Database	Data ID
PubChem	427841

M. W.

269.40578

CAS

Similarity

N/A

ID: 106969

6-oxoundecanedioic acid

$$$$ Data

M. F.

C11H18O5

Suppliers	Catalog Number
MP Biomedicals	05202086

Database	Data ID
PubChem	10633211

M. W.

230.25762

CAS

Similarity

N/A

ID: 106970

ammonium 2,6-dioxo-5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)amino]-1,2,3,6-tetrah...

$$$$ Data

M. F.

C8H8N6O6

Suppliers	Catalog Number
MP Biomedicals	05202090
Alfa Aesar	A17540

Database	Data ID
Wikipedia	Murexide
PubChem	18275

M. W.

284.18572

CAS

3051-09-0

Similarity

N/A

ID: 106971

chromium(3+) ion ammonium tetrakis(carbothioylazanide) diamine

$$$$ Data

M. F.

C4H10CrN7S4

Suppliers	Catalog Number
MP Biomedicals	05202091

Database	Data ID
PubChem	159682

M. W.

336.4252

CAS

13573-16-5

Similarity

N/A

ID: 106972

2,2-dichlorobutane

$$$$ Data

M. F.

C4H8Cl2

Suppliers	Catalog Number
MP Biomedicals	05202097

Database	Data ID
PubChem	521118

M. W.

127.01232

CAS

4279-22-5

Similarity

N/A

ID: 106973

1,2-dichloro-2,3-dihydro-1H-indene

$$$$ Data

M. F.

C9H8Cl2

Suppliers	Catalog Number
MP Biomedicals	05202098

Database	Data ID
PubChem	247602

M. W.

187.06582

CAS

74925-48-7

Similarity

N/A

ID: 106974

dibutyl[(2-ethylhexanoyl)oxy]stannyl 2-ethylhexanoate

$$$$ Data

M. F.

C24H48O4Sn

Suppliers	Catalog Number
Sigma Aldrich	228192
MP Biomedicals	05202101

Database	Data ID
PubChem	16682803

M. W.

519.33652

CAS

2781-10-4

Similarity

N/A

ID: 106975

2,3-dichlorobutane

$$$$ Data

M. F.

C4H8Cl2

Suppliers	Catalog Number
Sigma Aldrich	D59402
MP Biomedicals	05202104
Alfa Aesar	B21386

Database	Data ID
PubChem	24233

M. W.

127.01232

CAS

7581-97-7

Similarity

N/A

ID: 106976

2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-pur...

$$$$ Data

M. F.

C10H13N5O4

Suppliers	Catalog Number
MP Biomedicals	05202109

Database	Data ID
Wikipedia	Deoxyguanosine
PubChem	187790

M. W.

267.24132

CAS

961-07-9

Similarity

N/A

ID: 106977

(3R,4S,5S,6R)-2-{[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R...

$$$$ Data

M. F.

C18H32O16

Suppliers	Catalog Number
MP Biomedicals	05202110

Database	Data ID
Wikipedia	Maltodextrin
PubChem	62698

M. W.

504.43708

CAS

9050-36-6

Similarity

N/A

ID: 106978

dec-2-yne

$$$$ Data

M. F.

C10H18

Suppliers	Catalog Number
MP Biomedicals	05202112

Database	Data ID
PubChem	75424

M. W.

138.24992

CAS

2384-70-5

Similarity

N/A

ID: 106979

2,4,6-trimethylbenzaldehyde

$$$$ Data More

M. F.

C10H12O

Suppliers	Catalog Number
Sigma Aldrich	M6808 63900
MP Biomedicals	05202113
Alfa Aesar	A10104

Database	Data ID
PubChem	10254

M. W.

148.20168

CAS

487-68-3

Similarity

N/A

ID: 106980

2,4,6-trimethylphenol

$$$$ Data

M. F.

C9H12O

Suppliers	Catalog Number
Sigma Aldrich	T79006 W432900 35998 (more...)
MP Biomedicals	05202114
Alfa Aesar	A15041

Database	Data ID
PubChem	10698

M. W.

136.19098

CAS

527-60-6

Similarity

N/A

ID: 106981

(4ar,8ar)-decahydronaphthalene

$$$$ Data

M. F.

C10H18

Suppliers	Catalog Number
Sigma Aldrich	110477 30510
MP Biomedicals	05202115

Database	Data ID
PubChem	7044

M. W.

138.24992

CAS

493-02-7

Similarity

N/A

ID: 106982

sulfuric acid; bis({3-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)metha...

$$$$ Data

M. F.

C38H46N4O6S

Suppliers	Catalog Number
MP Biomedicals	05202126

Database	Data ID
PubChem	44135474

M. W.

686.86004

CAS

5949-16-6

Similarity

N/A

ID: 106983

but-2-enoyl chloride

$$$$ Data More

M. F.

C4H5ClO

Suppliers	Catalog Number
Sigma Aldrich	127787 28051
MP Biomedicals	05202130
Alfa Aesar	A13710

Database	Data ID
PubChem	643131

M. W.

104.5349

CAS

625-35-4

Similarity

N/A

ID: 106984

N-[2-(dimethylamino)ethyl]-N-(thiophen-2-ylmethyl)pyridin-2-amine; but-2-enedioi...

$$$$ Data

M. F.

C18H23N3O4S

Suppliers	Catalog Number
MP Biomedicals	05202136

Database	Data ID
PubChem	18930024

M. W.

377.45792

CAS

33032-12-1

Similarity

N/A

ID: 106985

4-(propan-2-yl)benzaldehyde

$$$$ Data More

M. F.

C10H12O

Suppliers	Catalog Number
Sigma Aldrich	W234109 135178 28210
MP Biomedicals	05202148
Alfa Aesar	A14019

Database	Data ID
Wikipedia	Cuminaldehyde
PubChem	326

M. W.

148.20168

CAS

122-03-2

Similarity

N/A

ID: 106986

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

$$$$ Data

M. F.

C10H24N2O4

Suppliers	Catalog Number
Sigma Aldrich	87600
MP Biomedicals	05202149

Database	Data ID
PubChem	67322

M. W.

236.30856

CAS

140-07-8

Similarity

N/A

ID: 106987

zinc(2+) ion disodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethy...

$$$$ Data

M. F.

C10H12N2Na2O8Zn

Suppliers	Catalog Number
MP Biomedicals	05202150
Alfa Aesar	22426

Database	Data ID
PubChem	51808

M. W.

399.57042

CAS

39208-16-7

Similarity

N/A

ID: 106988

germanium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	203351 327395 203343 (more...)
MP Biomedicals	05202154

Database	Data ID
Wikipedia	Germane
PubChem	6326954

M. W.

72.64

CAS

7782-65-2

Similarity

N/A

ID: 106989

(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

$$$$ Data

M. F.

C10H16

Suppliers	Catalog Number
MP Biomedicals	05202155
Enamine	EN300-90458

Database	Data ID
PubChem	82227

M. W.

136.23404

CAS

Similarity

N/A

ID: 106990

3-(aminomethyl)heptane

$$$$ Data

M. F.

C8H19N

Suppliers	Catalog Number
Sigma Aldrich	E29508 04080
MP Biomedicals	05202156
Alfa Aesar	A10372

Database	Data ID
PubChem	7719

M. W.

129.24316

CAS

104-75-6

Similarity

N/A

ID: 106991

2-(2-ethylhexyl)cyclohexan-1-ol

$$$$ Data

M. F.

C14H28O

Suppliers	Catalog Number
MP Biomedicals	05202157

Database	Data ID
PubChem	246932

M. W.

212.37152

CAS

77189-05-0

Similarity

N/A

ID: 106992

triiron(2+) ion diarsorate

$$$$ Data

M. F.

As2Fe3O8

Suppliers	Catalog Number
MP Biomedicals	05202162 05224688

Database	Data ID
PubChem	24938

M. W.

445.3734

CAS

10102-50-8

Similarity

N/A

ID: 106993

3-(2,3-dihydroxypropoxy)propane-1,2-diol

$$$$ Data

M. F.

C6H14O5

Suppliers	Catalog Number
Sigma Aldrich	17781
MP Biomedicals	05202164

Database	Data ID
PubChem	42953

M. W.

166.17236

CAS

627-82-7

Similarity

N/A

ID: 106994

tetrachloroiridium dihydrochloride

$$$$ Data

M. F.

Cl6H2Ir

Suppliers	Catalog Number
MP Biomedicals	05202168

Database	Data ID
PubChem	10938393

M. W.

406.95088

CAS

16941-92-7

Similarity

N/A

ID: 106995

2-chloro-1,4-diethoxybenzene

$$$$ Data

M. F.

C10H13ClO2

Suppliers	Catalog Number
MP Biomedicals	05202177

Database	Data ID
PubChem	40273

M. W.

200.66202

CAS

52196-74-4

Similarity

N/A

ID: 106996

3-chloropropane-1,2-diol

$$$$ Data More

M. F.

C3H7ClO2

Suppliers	Catalog Number
Sigma Aldrich	C0639 107271 32406
MP Biomedicals	05202178
Alfa Aesar	A16143

Database	Data ID
Wikipedia	3-MCPD
PubChem	7290

M. W.

110.53948

CAS

96-24-2

Similarity

N/A

ID: 106997

3-chloro-4-hydroxybenzoic acid

$$$$ Data

M. F.

C7H5ClO3

Suppliers	Catalog Number
MP Biomedicals	05202179
Alfa Aesar	A12134

Database	Data ID
PubChem	19860

M. W.

172.5658

CAS

3964-58-7

Similarity

N/A

ID: 106998

2-chloro-4-hydroxybenzoic acid

$$$$ Data More

M. F.

C7H5ClO3

Suppliers	Catalog Number
MP Biomedicals	05202180
Chemik	CHB38235
Bide Pharmatech	BD4392

Database	Data ID
PubChem	91821

M. W.

172.5658

CAS

56363-84-9

Similarity

N/A

ID: 106999

2-(2-chlorophenyl)-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C14H8ClNO2

Suppliers	Catalog Number
MP Biomedicals	05202181

Database	Data ID
PubChem	89795

M. W.

257.67182

CAS

22698-95-9

Similarity

N/A

ID: 107000

1-chlorooctane

$$$$ Data More

M. F.

C8H17Cl

Suppliers	Catalog Number
Sigma Aldrich	125156 25660 442261
MP Biomedicals	05202183
Alfa Aesar	L04358

Database	Data ID
PubChem	8142

M. W.

148.67358

CAS

111-85-3

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