Chembase list of 866358 unique molecular structures

3-chloro-4-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

$$$$ Data

M. F.

C9H6ClN5S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5666

Database	Data ID
PubChem	17219455

M. W.

251.69544

CAS

Similarity

N/A

ID: 122952

3-benzyl-4-{[2-(piperazin-1-yl)ethyl]amino}-2H-chromen-2-one

$$$$ Data

M. F.

C22H25N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5671

Database	Data ID
PubChem	24824964

M. W.

363.4528

CAS

Similarity

N/A

ID: 122953

5-amino-2-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenol

$$$$ Data

M. F.

C9H7N5OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-5676

Database	Data ID
PubChem	42648465

M. W.

233.24978

CAS

Similarity

N/A

ID: 122954

6-amino-1-[2-(morpholin-4-yl)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C10H16N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5677

Database	Data ID
PubChem	16653159

M. W.

240.25904

CAS

Similarity

N/A

ID: 122955

2-amino-4,7-dioxo-3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C8H8N4O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5682 STOCK1N-72421

Database	Data ID
PubChem	16653502

M. W.

224.17352

CAS

Similarity

N/A

ID: 122956

5-(naphthalen-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H9N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5683

Database	Data ID
PubChem	11858269

M. W.

227.28496

CAS

Similarity

N/A

ID: 122957

2-oxo-6-(thiophen-2-yl)-1,2-dihydropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C9H6N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5695

Database	Data ID
PubChem	28284412

M. W.

222.22054

CAS

Similarity

N/A

ID: 122958

ethyl 4-amino-8-chloroquinoline-3-carboxylate

$$$$ Data

M. F.

C12H11ClN2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5703

Database	Data ID
PubChem	17028186

M. W.

250.68094

CAS

Similarity

N/A

ID: 122959

3-(1-methyl-1H-imidazole-2-carbonyl)aniline

$$$$ Data

M. F.

C11H11N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5706

Database	Data ID
PubChem	16782124

M. W.

201.22454

CAS

Similarity

N/A

ID: 122960

3-{1,3-dioxo-2-azaspiro[4.4]nonan-2-yl}propanoic acid

$$$$ Data

M. F.

C11H15NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5707

Database	Data ID
PubChem	24217906

M. W.

225.2411

CAS

Similarity

N/A

ID: 122961

4-bromo-5-nitro-1H-imidazole

$$$$ Data More

M. F.

C3H2BrN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5708
Enamine	EN300-79485
Bide Pharmatech	BD102978

Database	Data ID
PubChem	23401

M. W.

191.97088

CAS

6963-65-1

Similarity

N/A

ID: 122962

2-{11-oxo-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8...

$$$$ Data

M. F.

C12H11N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5710

Database	Data ID
PubChem	42648466

M. W.

245.23404

CAS

Similarity

N/A

ID: 122963

4-(naphthalen-2-yl)pyrimidine-2-thiol

$$$$ Data

M. F.

C14H10N2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5711

Database	Data ID
PubChem	7010169

M. W.

238.3076

CAS

Similarity

N/A

ID: 122964

2-[(dimethylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5712

Database	Data ID
PubChem	689850

M. W.

195.25818

CAS

Similarity

N/A

ID: 122965

6-methyl-3-(1H-pyrazol-3-yl)-3,4-dihydro-2H-pyran-2,4-dione

$$$$ Data

M. F.

C9H8N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5713

Database	Data ID
PubChem	42648467

M. W.

192.17142

CAS

Similarity

N/A

ID: 122966

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

$$$$ Data

M. F.

C13H14N2O5

Suppliers	Catalog Number
InterBioScreen	BB_SC-5715

Database	Data ID
PubChem	4912763

M. W.

278.26066

CAS

Similarity

N/A

ID: 122967

1-(4-aminophenyl)cyclopentane-1-carbonitrile

$$$$ Data

M. F.

C12H14N2

Suppliers	Catalog Number
ChemBridge	4026920
InterBioScreen	BB_SC-5720

Database	Data ID
PubChem	767958

M. W.

186.25296

CAS

115279-73-7

Similarity

N/A

ID: 122968

4-(1,3-benzoxazol-2-yl)-3-chloroaniline

$$$$ Data

M. F.

C13H9ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5722

Database	Data ID
PubChem	4772726

M. W.

244.67636

CAS

Similarity

N/A

ID: 122969

6-amino-1-(2H-1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C12H11N3O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5726

Database	Data ID
PubChem	1526906

M. W.

261.23344

CAS

Similarity

N/A

ID: 122970

N-[2-(4-methoxyphenyl)ethyl]-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C16H17N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5727

Database	Data ID
PubChem	28284425

M. W.

267.32568

CAS

Similarity

N/A

ID: 122971

2-[(dimethylamino)methylidene]-5-phenylcyclohexane-1,3-dione

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5730

Database	Data ID
PubChem	10890110

M. W.

243.30098

CAS

Similarity

N/A

ID: 122972

1-(2-methoxyethyl)-2,4,7-trioxo-1H,2H,3H,4H,5H,6H,7H,8H-pyrido[2,3-d]pyrimidine-...

$$$$ Data

M. F.

C11H13N3O6

Suppliers	Catalog Number
InterBioScreen	BB_SC-5731

Database	Data ID
PubChem	25251727

M. W.

283.23742

CAS

Similarity

N/A

ID: 122973

methanimidamide

$$$$ Data

M. F.

CH4N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5734

Database	Data ID
PubChem	68047

M. W.

44.05586

CAS

Similarity

N/A

ID: 122974

4,5-dichloro-1-methyl-1H-imidazole

$$$$ Data

M. F.

C4H4Cl2N2

Suppliers	Catalog Number
Alfa Aesar	B20151
InterBioScreen	BB_SC-5737

Database	Data ID
PubChem	591536

M. W.

150.99396

CAS

1192-53-6

Similarity

N/A

ID: 122975

2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1-methyl-1H-1,3-benzodiazole

$$$$ Data

M. F.

C12H10Cl2N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5738

Database	Data ID
PubChem	658962

M. W.

281.1406

CAS

Similarity

N/A

ID: 122976

2-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-amine

$$$$ Data

M. F.

C12H11Cl2N5

Suppliers	Catalog Number
InterBioScreen	BB_SC-5739

Database	Data ID
PubChem	28284430

M. W.

296.15524

CAS

Similarity

N/A

ID: 122977

methyl 3-(2-formyl-1H-pyrrol-1-yl)benzoate

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5740

Database	Data ID
PubChem	17604923

M. W.

229.23134

CAS

Similarity

N/A

ID: 122978

2-chloro-1-[4-(propan-2-yl)phenyl]ethan-1-one

$$$$ Data

M. F.

C11H13ClO

Suppliers	Catalog Number
InterBioScreen	BB_SC-5742
Enamine	EN300-09785

Database	Data ID
PubChem	3779126

M. W.

196.67332

CAS

21886-60-2

Similarity

N/A

ID: 122979

1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,6,8-tetraene

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5744

Database	Data ID
PubChem	16641402

M. W.

173.21444

CAS

Similarity

N/A

ID: 122980

(furan-2-ylmethyl)[3-(4-methylpiperazin-1-yl)propyl]amine

$$$$ Data

M. F.

C13H23N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5749

Database	Data ID
PubChem	28284432

M. W.

237.34122

CAS

Similarity

N/A

ID: 122981

methyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5752

Database	Data ID
PubChem	551375

M. W.

267.7313

CAS

Similarity

N/A

ID: 122982

methyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5753

Database	Data ID
PubChem	28284433

M. W.

267.7313

CAS

Similarity

N/A

ID: 122983

methyl 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5755

Database	Data ID
PubChem	28284434

M. W.

267.7313

CAS

Similarity

N/A

ID: 122984

methyl 2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C13H13NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5756

Database	Data ID
PubChem	28284435

M. W.

263.31222

CAS

Similarity

N/A

ID: 122985

methyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C13H13NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5759

Database	Data ID
PubChem	28284436

M. W.

263.31222

CAS

Similarity

N/A

ID: 122986

2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C12H11NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5760

Database	Data ID
PubChem	4980303

M. W.

249.28564

CAS

Similarity

N/A

ID: 122987

1-(pyridine-3-carbonyl)-1,2,3,4-tetrahydroquinolin-7-amine

$$$$ Data

M. F.

C15H15N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5768

Database	Data ID
PubChem	16642543

M. W.

253.2991

CAS

Similarity

N/A

ID: 122988

2-[2-acetamido-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid

$$$$ Data

M. F.

C11H10N2O3S2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5771

Database	Data ID
PubChem	16642627

M. W.

282.3387

CAS

Similarity

N/A

ID: 122989

2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C10H8N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5773
Enamine	EN300-13723

Database	Data ID
PubChem	4962605

M. W.

220.24772

CAS

31112-90-0

Similarity

N/A

ID: 122990

4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]aniline

$$$$ Data

M. F.

C13H11N5

Suppliers	Catalog Number
InterBioScreen	BB_SC-5780

Database	Data ID
PubChem	20285812

M. W.

237.25994

CAS

Similarity

N/A

ID: 122991

4-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline

$$$$ Data

M. F.

C14H12N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5781
Enamine	EN300-114353

Database	Data ID
PubChem	855888

M. W.

236.27188

CAS

Similarity

N/A

ID: 122992

3-{3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl}propanoic acid

$$$$ Data

M. F.

C18H19N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5785

Database	Data ID
PubChem	16775415

M. W.

309.36236

CAS

Similarity

N/A

ID: 122993

3-[3,5-dimethyl-1-(2-methylprop-2-en-1-yl)-1H-pyrazol-4-yl]propanoic acid

$$$$ Data

M. F.

C12H18N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5786

Database	Data ID
PubChem	28284440

M. W.

222.28352

CAS

Similarity

N/A

ID: 122994

2-(5-bromo-2-methyl-1H-indol-3-yl)acetic acid

$$$$ Data

M. F.

C11H10BrNO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5793
Enamine	EN300-37087

Database	Data ID
PubChem	3963665

M. W.

268.1066

CAS

Similarity

N/A

ID: 122995

methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C14H15NO4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5799

Database	Data ID
PubChem	28284443

M. W.

293.3382

CAS

Similarity

N/A

ID: 122996

2-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C11H7Cl2NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5801

Database	Data ID
PubChem	4980410

M. W.

288.14978

CAS

Similarity

N/A

ID: 122997

[2-(propan-2-yloxy)naphthalen-1-yl]methanamine

$$$$ Data

M. F.

C14H17NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-5803

Database	Data ID
PubChem	28284445

M. W.

215.29088

CAS

Similarity

N/A

ID: 122998

6-methyl-4-oxa-2,5-diazatricyclo[7.3.0.0³,⁷]dodeca-1(9),2,...

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
ChemBridge	4036299
InterBioScreen	BB_SC-5804

Database	Data ID
PubChem	16643876

M. W.

218.2087

CAS

937657-94-8

Similarity

N/A

ID: 122999

4,6-dimethyl-2,4,5-triazatricyclo[7.3.0.0³,⁷]dodeca-1(9),2...

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5806

Database	Data ID
PubChem	16641408

M. W.

231.25052

CAS

Similarity

N/A

ID: 123000

1,3-dimethyl-6-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5807
Enamine	EN300-27337

Database	Data ID
PubChem	16227901

M. W.

233.2664

CAS

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