Chembase list of 866358 unique molecular structures

4-[2-(propan-2-yl)-1H-imidazol-1-yl]aniline

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Matrix Scientific	020012

Database	Data ID
PubChem	5305558

M. W.

201.2676

CAS

Similarity

N/A

ID: 17952

1-(2-hydroxyethyl)-5-methyl-1H-1,3-benzodiazole-2-carboxylic acid

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Matrix Scientific	020013

Database	Data ID
PubChem	6494991

M. W.

220.22458

CAS

Similarity

N/A

ID: 17953

1,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data More

M. F.

C9H11NO3

Suppliers	Catalog Number
ChemBridge	4028796
Matrix Scientific	020014
Life Chemicals	F2130-0050

Database	Data ID
PubChem	6501006

M. W.

181.18854

CAS

24667-08-1

Similarity

N/A

ID: 17954

4-[(2-fluorophenyl)methoxy]aniline

$$$$ Data

M. F.

C13H12FNO

Suppliers	Catalog Number
Matrix Scientific	020015

Database	Data ID
PubChem	17608056

M. W.

217.2388832

CAS

Similarity

N/A

ID: 17955

1,1,1,3,3,3-hexafluoropropan-2-yl 2,2,2-trifluoroacetate

$$$$ Data

M. F.

C5HF9O2

Suppliers	Catalog Number
Matrix Scientific	020016

Database	Data ID
PubChem	566473

M. W.

264.0458688

CAS

42031-15-2

Similarity

N/A

ID: 17956

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

$$$$ Data

M. F.

C6F12O2

Suppliers	Catalog Number
Matrix Scientific	020017

Database	Data ID
PubChem	21451215

M. W.

332.0438384

CAS

Similarity

N/A

ID: 17957

3-fluoro-4-methylpyridine

$$$$ Data

M. F.

C6H6FN

Suppliers	Catalog Number
Matrix Scientific	020018
Apollo Scientific	PC9930
A&J Pharmtech	AJA-O33555

Database	Data ID
PubChem	345367

M. W.

111.1169432

CAS

399-88-2

Similarity

N/A

ID: 17958

5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine

$$$$ Data More

M. F.

C7H4BrIN2

Suppliers	Catalog Number
Sigma Aldrich	702307
Alfa Aesar	H50041
Matrix Scientific	020019

Database	Data ID
PubChem	24229212

M. W.

322.92853

CAS

757978-18-0

Similarity

N/A

ID: 17959

1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

$$$$ Data More

M. F.

C14H12N2O2S

Suppliers	Catalog Number
Sigma Aldrich	ADE000884
Matrix Scientific	020020
Adesis	4-121

Database	Data ID
PubChem	1479966

M. W.

272.32228

CAS

348640-02-8

Similarity

N/A

ID: 17960

3-iodo-1H-pyrrolo[2,3-b]pyridine

$$$$ Data More

M. F.

C7H5IN2

Suppliers	Catalog Number
Sigma Aldrich	692298
Matrix Scientific	020021
Key Organics	FA-0722

Database	Data ID
PubChem	5377078

M. W.

244.03247

CAS

23616-57-1

Similarity

N/A

ID: 17961

5-bromo-1H-pyrrolo[2,3-b]pyridine

$$$$ Data More

M. F.

C7H5BrN2

Suppliers	Catalog Number
Sigma Aldrich	692549
Alfa Aesar	H50040
Matrix Scientific	020022

Database	Data ID
PubChem	10307932

M. W.

197.032

CAS

183208-35-7

Similarity

N/A

ID: 17962

tert-butyl 1,4-diazepane-1-carboxylate

$$$$ Data More

M. F.

C10H20N2O2

Suppliers	Catalog Number
Sigma Aldrich	511382 17759
ChemBridge	4036742
Alfa Aesar	L17728

Database	Data ID
PubChem	2756058

M. W.

200.278

CAS

112275-50-0

Similarity

N/A

ID: 17963

tert-butyl piperidine-1-carboxylate

$$$$ Data More

M. F.

C10H19NO2

Suppliers	Catalog Number
Sigma Aldrich	655872
Alfa Aesar	L17476
Matrix Scientific	020024

Database	Data ID
PubChem	7010304

M. W.

185.26336

CAS

75844-69-8

Similarity

N/A

ID: 17964

tert-butyl 1H-indole-1-carboxylate

$$$$ Data More

M. F.

C13H15NO2

Suppliers	Catalog Number
Sigma Aldrich	518107
Alfa Aesar	L17601
Matrix Scientific	020025

Database	Data ID
PubChem	3532980

M. W.

217.2637

CAS

75400-67-8

Similarity

N/A

ID: 17965

tert-butyl piperazine-1-carboxylate

$$$$ Data More

M. F.

C9H18N2O2

Suppliers	Catalog Number
Sigma Aldrich	15502 343536
ChemBridge	4036657
Alfa Aesar	L13363

Database	Data ID
PubChem	143452

M. W.

186.25142

CAS

57260-71-6

Similarity

N/A

ID: 17966

2-bromo-6-methoxyphenol

$$$$ Data More

M. F.

C7H7BrO2

Suppliers	Catalog Number
Alfa Aesar	B25535
Matrix Scientific	020027
Enamine	EN300-105384

Database	Data ID
PubChem	11019958

M. W.

203.03328

CAS

28165-49-3

Similarity

N/A

ID: 17967

1,4-dioxaspiro[4.5]decan-8-ol

$$$$ Data More

M. F.

C8H14O3

Suppliers	Catalog Number
Alfa Aesar	H26037
Matrix Scientific	020028
Enamine	EN300-39891

Database	Data ID
PubChem	567352

M. W.

158.19496

CAS

22428-87-1

Similarity

N/A

ID: 17968

2-acetamidopropanoic acid

$$$$ Data

M. F.

C5H9NO3

Suppliers	Catalog Number
Matrix Scientific	020029

Database	Data ID
PubChem	7345

M. W.

131.12986

CAS

1115-69-1

Similarity

N/A

ID: 17969

2,2-dichloro-1-phenylcyclopropane-1-carbaldehyde

$$$$ Data

M. F.

C10H8Cl2O

Suppliers	Catalog Number
Matrix Scientific	020030

Database	Data ID
PubChem	11117417

M. W.

215.07592

CAS

Similarity

N/A

ID: 17970

[(1-ethylpyrrolidin-2-yl)methyl][(7-methoxy-2H-1,3-benzodioxol-5-yl)methyl](pyri...

$$$$ Data

M. F.

C22H29N3O3

Suppliers	Catalog Number
Matrix Scientific	020031

Database	Data ID
PubChem	43818173

M. W.

383.48396

CAS

Similarity

N/A

ID: 17971

1-[4-({[(1-ethylpyrrolidin-2-yl)methyl](pyridin-2-ylmethyl)amino}methyl)phenyl]p...

$$$$ Data

M. F.

C24H32N4O

Suppliers	Catalog Number
Matrix Scientific	020032

Database	Data ID
PubChem	16672010

M. W.

392.53708

CAS

Similarity

N/A

ID: 17972

[(2,3-dimethoxyphenyl)methyl][(2-fluoro-5-methoxyphenyl)methyl](pyridin-2-ylmeth...

$$$$ Data

M. F.

C23H25FN2O3

Suppliers	Catalog Number
Matrix Scientific	020033

Database	Data ID
PubChem	26188845

M. W.

396.4546032

CAS

Similarity

N/A

ID: 17973

5-[2-(propan-2-yloxy)phenyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
Matrix Scientific	020034

Database	Data ID
PubChem	6486627

M. W.

235.30542

CAS

Similarity

N/A

ID: 17974

4-methoxy-2,3,6-trimethylbenzaldehyde

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
ChemBridge	5229799
Matrix Scientific	020036
TRC	M269700

Database	Data ID
PubChem	824142

M. W.

178.22766

CAS

54344-92-2

Similarity

N/A

ID: 17975

6-amino-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data More

M. F.

C9H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00203
ChemBridge	4029633
Matrix Scientific	020038

Database	Data ID
PubChem	2764463

M. W.

178.1879

CAS

103361-43-9

Similarity

N/A

ID: 17976

6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data More

M. F.

C9H10N2O2

Suppliers	Catalog Number
Matrix Scientific	020039
Apollo Scientific	OR13750
Enamine	EN300-14821

Database	Data ID
PubChem	6483753

M. W.

178.1879

CAS

105807-80-5

Similarity

N/A

ID: 17977

6-amino-2,4-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C10H12N2O2

Suppliers	Catalog Number
ChemBridge	4030801
Matrix Scientific	020040
Apollo Scientific	OR13753

Database	Data ID
PubChem	6486648

M. W.

192.21448

CAS

70488-69-6

Similarity

N/A

ID: 17978

(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)(methyl)amine

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Matrix Scientific	020042
Enamine	EN300-63883

Database	Data ID
PubChem	421184

M. W.

177.2429

CAS

Similarity

N/A

ID: 17979

3-(2-amino-1,3-thiazol-4-yl)phenol

$$$$ Data

M. F.

C9H8N2OS

Suppliers	Catalog Number
Matrix Scientific	020044
Enamine	EN300-81633

Database	Data ID
PubChem	1497786

M. W.

192.23762

CAS

155983-86-1

Similarity

N/A

ID: 17980

3-(4-methoxy-3-methylphenyl)propanoic acid

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Matrix Scientific	020046

Database	Data ID
PubChem	5237641

M. W.

194.22706

CAS

22442-47-3

Similarity

N/A

ID: 17981

5-(cyclohexylmethyl)-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C9H16N4

Suppliers	Catalog Number
Matrix Scientific	020047

Database	Data ID
PubChem	5204120

M. W.

180.25014

CAS

Similarity

N/A

ID: 17982

2-(4-methoxy-6-methyl-2-phenylpyrimidin-5-yl)acetic acid

$$$$ Data

M. F.

C14H14N2O3

Suppliers	Catalog Number
Matrix Scientific	020048

Database	Data ID
PubChem	917407

M. W.

258.27256

CAS

Similarity

N/A

ID: 17983

5-phenylpentan-2-amine

$$$$ Data

M. F.

C11H17N

Suppliers	Catalog Number
Matrix Scientific	020049

Database	Data ID
PubChem	410940

M. W.

163.25938

CAS

Similarity

N/A

ID: 17984

3-(1H-1,2,3,4-tetrazol-1-yl)aniline

$$$$ Data More

M. F.

C7H7N5

Suppliers	Catalog Number
ChemBridge	4002012
Matrix Scientific	020051
Life Chemicals	F2121-0003 F2121-0005

Database	Data ID
PubChem	863007

M. W.

161.16398

CAS

14213-12-8

Similarity

N/A

ID: 17985

3-(1H-1,3-benzodiazol-1-yl)butanoic acid hydrochloride

$$$$ Data

M. F.

C11H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	020052
Enamine	EN300-111124

Database	Data ID
PubChem	18593129

M. W.

240.68612

CAS

Similarity

N/A

ID: 17986

3-(1H-indol-3-yl)-4-methylpentanoic acid

$$$$ Data

M. F.

C14H17NO2

Suppliers	Catalog Number
Matrix Scientific	020053

Database	Data ID
PubChem	6486731

M. W.

231.29028

CAS

Similarity

N/A

ID: 17987

4-(4-fluorophenyl)butan-2-amine

$$$$ Data

M. F.

C10H14FN

Suppliers	Catalog Number
Matrix Scientific	020054

Database	Data ID
PubChem	6486734

M. W.

167.2232632

CAS

Similarity

N/A

ID: 17988

ethyl 4-(aminomethyl)-2,5-dimethylfuran-3-carboxylate

$$$$ Data

M. F.

C10H15NO3

Suppliers	Catalog Number
ChemBridge	6630282
Matrix Scientific	020055

Database	Data ID
PubChem	591699

M. W.

197.231

CAS

883544-97-6

Similarity

N/A

ID: 17989

1-methyl-1H-1,2,4-triazol-3-amine dihydrochloride

$$$$ Data

M. F.

C3H8Cl2N4

Suppliers	Catalog Number
Matrix Scientific	020057

Database	Data ID
PubChem	46735533

M. W.

171.02842

CAS

49607-51-4

Similarity

N/A

ID: 17990

3-(2,3-dihydro-1H-indol-1-yl)propan-1-amine

$$$$ Data More

M. F.

C11H16N2

Suppliers	Catalog Number
ChemBridge	4003431
Matrix Scientific	020059
Enamine	EN300-30912

Database	Data ID
PubChem	6483816

M. W.

176.25814

CAS

61123-70-4

Similarity

N/A

ID: 17991

4-methyl-3-(morpholine-4-sulfonyl)aniline

$$$$ Data

M. F.

C11H16N2O3S

Suppliers	Catalog Number
Matrix Scientific	020060
Enamine	EN300-02149

Database	Data ID
PubChem	570632

M. W.

256.32134

CAS

Similarity

N/A

ID: 17992

1-(3-aminopropoxy)-3-methoxybenzene

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Matrix Scientific	020061

Database	Data ID
PubChem	6486844

M. W.

181.2316

CAS

Similarity

N/A

ID: 17993

9-fluoro-5-phenyl-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline

$$$$ Data

M. F.

C18H18FNO

Suppliers	Catalog Number
Matrix Scientific	020062

Database	Data ID
PubChem	6487063

M. W.

283.3400232

CAS

Similarity

N/A

ID: 17994

6-fluoro-2-methylquinoline-3-carboxylic acid

$$$$ Data More

M. F.

C11H8FNO2

Suppliers	Catalog Number
Matrix Scientific	020064
Apollo Scientific	PC1927
Life Chemicals	F1371-0192

Database	Data ID
PubChem	693108

M. W.

205.1851232

CAS

461026-47-1

Similarity

N/A

ID: 17995

1-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}piperazine

$$$$ Data

M. F.

C16H26N2O

Suppliers	Catalog Number
Matrix Scientific	020065

Database	Data ID
PubChem	803596

M. W.

262.39044

CAS

Similarity

N/A

ID: 17996

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-amine

$$$$ Data

M. F.

C17H19NO2

Suppliers	Catalog Number
Matrix Scientific	020067

Database	Data ID
PubChem	2758369

M. W.

269.33826

CAS

Similarity

N/A

ID: 17997

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylethan-1-amine

$$$$ Data

M. F.

C16H17NO2

Suppliers	Catalog Number
Matrix Scientific	020069

Database	Data ID
PubChem	2758368

M. W.

255.31168

CAS

Similarity

N/A

ID: 17998

3-fluoro-4-methoxybenzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C7H6ClFO3S

Suppliers	Catalog Number
Sigma Aldrich	700983
ChemBridge	4026924
Alfa Aesar	H50383

Database	Data ID
PubChem	2774540

M. W.

224.6371432

CAS

67475-55-2

Similarity

N/A

ID: 17999

2-[3-(3-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Matrix Scientific	020071

Database	Data ID
PubChem	6487608

M. W.

232.23528

CAS

Similarity

N/A

ID: 18000

3-methylpyridine-2-carbaldehyde

$$$$ Data More

M. F.

C7H7NO

Suppliers	Catalog Number
Sigma Aldrich	699071
Alfa Aesar	H56168
Matrix Scientific	020072

Database	Data ID
PubChem	1501874

M. W.

121.13658

CAS

55589-47-4

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