Chembase list of 866358 unique molecular structures

1-amino-3-(3-methylpiperidin-1-yl)propan-2-ol

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Matrix Scientific	033721

Database	Data ID
PubChem	3161650

M. W.

172.2679

CAS

Similarity

N/A

ID: 31052

8-chloro-2-methylquinoline-4-carboxylic acid

$$$$ Data

M. F.

C11H8ClNO2

Suppliers	Catalog Number
ChemBridge	4005412
Matrix Scientific	033722

Database	Data ID
PubChem	4687097

M. W.

221.63972

CAS

52413-67-9

Similarity

N/A

ID: 31053

5,7-dichloro-1,2,3,4-tetrahydroquinolin-8-ol

$$$$ Data

M. F.

C9H9Cl2NO

Suppliers	Catalog Number
Matrix Scientific	033723

Database	Data ID
PubChem	709854

M. W.

218.07986

CAS

Similarity

N/A

ID: 31054

2-methyl-4-oxo-1,4-dihydroquinoline-8-carboxylic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
ChemBridge	6629058
Matrix Scientific	033724
InterBioScreen	STOCK1N-29264

Database	Data ID
PubChem	905570

M. W.

203.19406

CAS

384364-07-2

Similarity

N/A

ID: 31055

2-chloro-1-(1,2-dimethyl-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C12H12ClNO

Suppliers	Catalog Number
Matrix Scientific	033725
InterBioScreen	BB_SC-0142

Database	Data ID
PubChem	948678

M. W.

221.68278

CAS

Similarity

N/A

ID: 31056

2-chloro-1-(1,2,6-trimethyl-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Matrix Scientific	033726
InterBioScreen	BB_SC-0734

Database	Data ID
PubChem	935993

M. W.

235.70936

CAS

Similarity

N/A

ID: 31057

4-hydroxy-3,6,6-trimethyl-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid

$$$$ Data

M. F.

C12H16O4

Suppliers	Catalog Number
Matrix Scientific	033727
Life Chemicals	F1901-0160

Database	Data ID
PubChem	663241

M. W.

224.25304

CAS

Similarity

N/A

ID: 31058

ethyl 4-amino-5-methoxy-1,2-dimethyl-1H-indole-3-carboxylate

$$$$ Data

M. F.

C14H18N2O3

Suppliers	Catalog Number
Matrix Scientific	033728
InterBioScreen	BB_SC-0772

Database	Data ID
PubChem	938091

M. W.

262.30432

CAS

Similarity

N/A

ID: 31059

2-({4-methyl-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexa...

$$$$ Data

M. F.

C13H11N3O3

Suppliers	Catalog Number
Matrix Scientific	033729

Database	Data ID
PubChem	4358616

M. W.

257.24474

CAS

Similarity

N/A

ID: 31060

2-methyl-5-phenyl-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
Matrix Scientific	033730
InterBioScreen	BB_SC-10468
Enamine	EN300-111091

Database	Data ID
PubChem	943535

M. W.

219.25966

CAS

13743-09-4

Similarity

N/A

ID: 31061

3-({4-methyl-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexa...

$$$$ Data

M. F.

C14H13N3O3

Suppliers	Catalog Number
Matrix Scientific	033731

Database	Data ID
PubChem	4311261

M. W.

271.27132

CAS

Similarity

N/A

ID: 31062

2-hydrazinyl-1-methyl-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C8H11ClN4

Suppliers	Catalog Number
Matrix Scientific	033732
Enamine	EN300-35980

Database	Data ID
PubChem	24320914

M. W.

198.65274

CAS

Similarity

N/A

ID: 31063

[4-(piperidin-1-yl)phenyl]methanamine

$$$$ Data More

M. F.

C12H18N2

Suppliers	Catalog Number
Matrix Scientific	033733
Maybridge	CC33913
Apollo Scientific	OR9881

Database	Data ID
PubChem	2795551

M. W.

190.28472

CAS

214759-73-6

Similarity

N/A

ID: 31064

1-[4-(morpholin-4-yl)phenyl]ethan-1-amine

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
ChemBridge	4004121
Matrix Scientific	033734
Enamine	EN300-56150

Database	Data ID
PubChem	4912810

M. W.

206.28412

CAS

728024-36-0

Similarity

N/A

ID: 31065

1-[4-(piperidin-1-yl)phenyl]ethan-1-amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
ChemBridge	4004120
Matrix Scientific	033735

Database	Data ID
PubChem	4912857

M. W.

204.3113

CAS

869943-44-2

Similarity

N/A

ID: 31066

6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	033736

Database	Data ID
PubChem	2759662

M. W.

258.2957

CAS

439094-67-4

Similarity

N/A

ID: 31067

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

$$$$ Data More

M. F.

C10H6ClNO3

Suppliers	Catalog Number
Matrix Scientific	033737
Life Chemicals	F1967-0244
Enamine	EN300-36523

Database	Data ID
PubChem	1090977

M. W.

223.61254

CAS

334017-34-4

Similarity

N/A

ID: 31068

1-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C13H13NS

Suppliers	Catalog Number
Matrix Scientific	033738
Apollo Scientific	OR4500

Database	Data ID
PubChem	2793643

M. W.

215.31402

CAS

Similarity

N/A

ID: 31069

3-(morpholin-4-yl)benzoic acid

$$$$ Data More

M. F.

C11H13NO3

Suppliers	Catalog Number
ChemBridge	4006146
Matrix Scientific	033739
Maybridge	CC33801

Database	Data ID
PubChem	2795549

M. W.

207.22582

CAS

215309-00-5

Similarity

N/A

ID: 31070

1-methyl-2-(piperidin-1-ylmethyl)-1H-1,3-benzodiazol-5-amine trihydrochloride

$$$$ Data

M. F.

C14H23Cl3N4

Suppliers	Catalog Number
Matrix Scientific	033740

Database	Data ID
PubChem	17325391

M. W.

353.71822

CAS

Similarity

N/A

ID: 31071

2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

$$$$ Data

M. F.

C13H15FN2O3

Suppliers	Catalog Number
ChemBridge	21717860
Matrix Scientific	033741

Database	Data ID
PubChem	3498734

M. W.

266.2682032

CAS

Similarity

N/A

ID: 31072

4-chloro-3-(piperidin-1-yl)benzoic acid

$$$$ Data

M. F.

C12H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	033742

Database	Data ID
PubChem	7148438

M. W.

239.69806

CAS

Similarity

N/A

ID: 31073

4-methyl-3-(morpholin-4-yl)benzoic acid

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Matrix Scientific	033743

Database	Data ID
PubChem	7148430

M. W.

221.2524

CAS

Similarity

N/A

ID: 31074

2-{6-chloro-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic aci...

$$$$ Data

M. F.

C8H7ClN4O3

Suppliers	Catalog Number
Matrix Scientific	033744

Database	Data ID
PubChem	6491993

M. W.

242.61918

CAS

Similarity

N/A

ID: 31075

6-chloro-5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C7H5ClN4O3

Suppliers	Catalog Number
Matrix Scientific	033745

Database	Data ID
PubChem	6491994

M. W.

228.5926

CAS

Similarity

N/A

ID: 31076

3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid

$$$$ Data More

M. F.

C8H6N2O3S

Suppliers	Catalog Number
Matrix Scientific	033746
Life Chemicals	F2123-0002
InterBioScreen	BB_SC-9139

Database	Data ID
PubChem	6484551

M. W.

210.20984

CAS

79932-64-2

Similarity

N/A

ID: 31077

5-[(dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxylic acid

$$$$ Data

M. F.

C11H11NO3S

Suppliers	Catalog Number
Matrix Scientific	033747

Database	Data ID
PubChem	6492054

M. W.

237.27494

CAS

Similarity

N/A

ID: 31078

2-methyl-3-[(pyridin-4-ylmethyl)amino]benzoic acid

$$$$ Data

M. F.

C14H14N2O2

Suppliers	Catalog Number
Matrix Scientific	033748

Database	Data ID
PubChem	6492090

M. W.

242.27316

CAS

Similarity

N/A

ID: 31079

2-methyl-3-[(pyridin-3-ylmethyl)amino]benzoic acid

$$$$ Data

M. F.

C14H14N2O2

Suppliers	Catalog Number
ChemBridge	9014482
Matrix Scientific	033749

Database	Data ID
PubChem	6492091

M. W.

242.27316

CAS

878714-39-7

Similarity

N/A

ID: 31080

3-(adamantan-1-yl)-3-oxopropanenitrile

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Matrix Scientific	033752

Database	Data ID
PubChem	584949

M. W.

203.28018

CAS

Similarity

N/A

ID: 31081

5-oxo-2-phenyloxolane-3-carboxylic acid

$$$$ Data

M. F.

C11H10O4

Suppliers	Catalog Number
Matrix Scientific	033753

Database	Data ID
PubChem	202845

M. W.

206.1947

CAS

Similarity

N/A

ID: 31082

(3-aminophenyl)(4-methoxyphenyl)methanol

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Matrix Scientific	033754
InterBioScreen	BB_NC-2684 STOCK1N-76888

Database	Data ID
PubChem	23009100

M. W.

229.2744

CAS

Similarity

N/A

ID: 31083

(2-amino-1-phenylethyl)diethylamine

$$$$ Data

M. F.

C12H20N2

Suppliers	Catalog Number
Matrix Scientific	033755
Enamine	EN300-10761

Database	Data ID
PubChem	3860307

M. W.

192.3006

CAS

31788-97-3

Similarity

N/A

ID: 31084

2-[(piperidin-1-yl)methyl]aniline

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	4013808
Matrix Scientific	033756
A&J Pharmtech	AJA-O33703

Database	Data ID
PubChem	23004752

M. W.

190.28472

CAS

19577-83-4

Similarity

N/A

ID: 31085

phenyl(pyridin-3-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C12H14Cl2N2

Suppliers	Catalog Number
Matrix Scientific	033757

Database	Data ID
PubChem	24844560

M. W.

257.15896

CAS

Similarity

N/A

ID: 31086

4-methoxy-3-(morpholin-4-yl)benzoic acid

$$$$ Data

M. F.

C12H15NO4

Suppliers	Catalog Number
ChemBridge	9015515
Matrix Scientific	033758
InterBioScreen	BB_SC-7543

Database	Data ID
PubChem	17607992

M. W.

237.2518

CAS

915923-91-0

Similarity

N/A

ID: 31087

2-chloro-5-(piperidin-1-yl)benzoic acid

$$$$ Data

M. F.

C12H14ClNO2

Suppliers	Catalog Number
ChemBridge	9030019
Matrix Scientific	033759

Database	Data ID
PubChem	28065482

M. W.

239.69806

CAS

915921-24-3

Similarity

N/A

ID: 31088

4-methoxy-3-(1H-pyrrol-1-yl)benzoic acid

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Matrix Scientific	033760

Database	Data ID
PubChem	25802969

M. W.

217.22064

CAS

Similarity

N/A

ID: 31089

2-methyl-3-(morpholin-4-yl)benzoic acid

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Matrix Scientific	033761

Database	Data ID
PubChem	7148426

M. W.

221.2524

CAS

Similarity

N/A

ID: 31090

2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetic acid

$$$$ Data

M. F.

C8H11N3O2

Suppliers	Catalog Number
ChemBridge	4028502
Matrix Scientific	033762

Database	Data ID
PubChem	25802996

M. W.

181.19184

CAS

933687-60-6

Similarity

N/A

ID: 31091

2-amino-6-methylpyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C6H7N3O2

Suppliers	Catalog Number
ChemBridge	4004177
Matrix Scientific	033763

Database	Data ID
PubChem	246646

M. W.

153.13868

CAS

6630-66-6

Similarity

N/A

ID: 31092

2-[4-(4-methylphenyl)-2-(propan-2-yl)oxan-4-yl]ethan-1-amine

$$$$ Data

M. F.

C17H27NO

Suppliers	Catalog Number
ChemBridge	7921501
Matrix Scientific	033764
InterBioScreen	STOCK1N-35257

Database	Data ID
PubChem	2965330

M. W.

261.40238

CAS

672266-20-5

Similarity

N/A

ID: 31093

4-methyl-3-[4-(propan-2-yloxy)phenyl]pentanoic acid

$$$$ Data

M. F.

C15H22O3

Suppliers	Catalog Number
Matrix Scientific	033765

Database	Data ID
PubChem	2965331

M. W.

250.33338

CAS

Similarity

N/A

ID: 31094

2-amino-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)propan-1-one

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Matrix Scientific	033766

Database	Data ID
PubChem	18524705

M. W.

204.26824

CAS

Similarity

N/A

ID: 31095

4-amino-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)butan-1-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Matrix Scientific	033767

Database	Data ID
PubChem	6492190

M. W.

218.29482

CAS

Similarity

N/A

ID: 31096

1-(morpholin-4-yl)-1-phenylpropan-2-amine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Matrix Scientific	033768
Enamine	EN300-34333

Database	Data ID
PubChem	3697140

M. W.

220.3107

CAS

Similarity

N/A

ID: 31097

2-chloro-N-(3-ethoxypropyl)acetamide

$$$$ Data

M. F.

C7H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	033769
Enamine	EN300-07669

Database	Data ID
PubChem	3860306

M. W.

179.64456

CAS

Similarity

N/A

ID: 31098

2-(5,6-dimethyl-1-benzofuran-3-yl)acetic acid

$$$$ Data

M. F.

C12H12O3

Suppliers	Catalog Number
Matrix Scientific	033770
Enamine	EN300-07911

Database	Data ID
PubChem	2113967

M. W.

204.22188

CAS

Similarity

N/A

ID: 31099

2-(furan-2-yl)-2-(piperidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	033771
Life Chemicals	F2124-0430
Enamine	EN300-07953

Database	Data ID
PubChem	3338092

M. W.

194.27342

CAS

110358-80-0

Similarity

N/A

ID: 31100

2-(4-methoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Matrix Scientific	033772
Life Chemicals	F2124-0431
Enamine	EN300-07976

Database	Data ID
PubChem	3838116

M. W.

234.33728

CAS

31466-51-0

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