Chembase list of 866358 unique molecular structures

2-(chloromethyl)-1-[(4-chlorophenyl)methyl]-1H-imidazole hydrochloride

$$$$ Data

M. F.

C11H11Cl3N2

Suppliers	Catalog Number
Apollo Scientific	OR25600

Database	Data ID
PubChem	2779195

M. W.

277.57744

CAS

Similarity

N/A

ID: 82852

1-[5-(2-phenylethynyl)thiophen-2-yl]ethan-1-one

$$$$ Data

M. F.

C14H10OS

Suppliers	Catalog Number
Apollo Scientific	OR25601

Database	Data ID
PubChem	2779198

M. W.

226.2936

CAS

175203-54-0

Similarity

N/A

ID: 82853

3-phenyl-1-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-en-1-one

$$$$ Data

M. F.

C21H14OS

Suppliers	Catalog Number
Apollo Scientific	OR25602

Database	Data ID
PubChem	5709040

M. W.

314.40026

CAS

Similarity

N/A

ID: 82854

3-(4-chlorophenyl)-1-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-en-1-one

$$$$ Data

M. F.

C21H13ClOS

Suppliers	Catalog Number
Apollo Scientific	OR25603

Database	Data ID
PubChem	5709041

M. W.

348.84532

CAS

Similarity

N/A

ID: 82855

3-(4-methoxyphenyl)-1-[5-(2-phenylethynyl)thiophen-2-yl]prop-2-en-1-one

$$$$ Data

M. F.

C22H16O2S

Suppliers	Catalog Number
Apollo Scientific	OR25604

Database	Data ID
PubChem	5709042

M. W.

344.42624

CAS

Similarity

N/A

ID: 82856

1-[5-(2-phenylethynyl)thiophen-2-yl]-3-(thiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C19H12OS2

Suppliers	Catalog Number
Apollo Scientific	OR25605

Database	Data ID
PubChem	5709043

M. W.

320.42798

CAS

Similarity

N/A

ID: 82857

4-(2-phenylethynyl)benzonitrile

$$$$ Data

M. F.

C15H9N

Suppliers	Catalog Number
Maybridge	KM08057
Apollo Scientific	OR25606

Database	Data ID
PubChem	2779208

M. W.

203.23866

CAS

29822-79-5

Similarity

N/A

ID: 82858

1,3-dichloro-2-methyl-5-nitrobenzene

$$$$ Data More

M. F.

C7H5Cl2NO2

Suppliers	Catalog Number
Maybridge	KM08058
Apollo Scientific	OR25607
Chemik	CHB54121

Database	Data ID
PubChem	251670

M. W.

206.0261

CAS

7149-69-1

Similarity

N/A

ID: 82859

(prop-2-yn-1-yloxy)benzene

$$$$ Data

M. F.

C9H8O

Suppliers	Catalog Number
Sigma Aldrich	78960
Alfa Aesar	43923 A18272
Apollo Scientific	OR25609

Database	Data ID
PubChem	83613

M. W.

132.15922

CAS

13610-02-1

Similarity

N/A

ID: 82860

N-{[4-(2-phenylethynyl)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C15H11NO

Suppliers	Catalog Number
Apollo Scientific	OR25610

Database	Data ID
PubChem	9582248

M. W.

221.25394

CAS

175203-56-2

Similarity

N/A

ID: 82861

3-(dodecyloxy)propan-1-amine

$$$$ Data

M. F.

C15H33NO

Suppliers	Catalog Number
Apollo Scientific	OR25611
Enamine	EN300-89510

Database	Data ID
PubChem	65596

M. W.

243.42862

CAS

Similarity

N/A

ID: 82862

4-{4-[(hydroxyimino)methyl]phenyl}-2-methylbut-3-yn-2-ol

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR25612

Database	Data ID
PubChem	9582249

M. W.

203.23712

CAS

175203-57-3

Similarity

N/A

ID: 82863

methyl 2-cyano-2-(2-nitrophenyl)acetate

$$$$ Data

M. F.

C10H8N2O4

Suppliers	Catalog Number
Apollo Scientific	OR25615
TRC	M294550

Database	Data ID
PubChem	2779220

M. W.

220.18152

CAS

113772-13-7

Similarity

N/A

ID: 82864

3-(4-chlorophenyl)-1-{5-[3-(dimethylamino)prop-1-yn-1-yl]thiophen-2-yl}prop-2-en...

$$$$ Data

M. F.

C18H16ClNOS

Suppliers	Catalog Number
Apollo Scientific	OR25619

Database	Data ID
PubChem	5709048

M. W.

329.84374

CAS

Similarity

N/A

ID: 82865

1-(chloromethyl)-3-methylbenzene

$$$$ Data More

M. F.

C8H9Cl

Suppliers	Catalog Number
Sigma Aldrich	C73354
Alfa Aesar	A10784
Apollo Scientific	OR2562 OR5038

Database	Data ID
PubChem	12102

M. W.

140.61006

CAS

620-19-9

Similarity

N/A

ID: 82866

1-{5-[3-(dimethylamino)prop-1-yn-1-yl]thiophen-2-yl}-3-(4-methoxyphenyl)prop-2-e...

$$$$ Data

M. F.

C19H19NO2S

Suppliers	Catalog Number
Apollo Scientific	OR25620

Database	Data ID
PubChem	5709050

M. W.

325.42466

CAS

Similarity

N/A

ID: 82867

1-{5-[3-(dimethylamino)prop-1-yn-1-yl]thiophen-2-yl}-3-(thiophen-2-yl)prop-2-en-...

$$$$ Data

M. F.

C16H15NOS2

Suppliers	Catalog Number
Apollo Scientific	OR25622

Database	Data ID
PubChem	5709052

M. W.

301.4264

CAS

Similarity

N/A

ID: 82868

ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR25623

Database	Data ID
PubChem	2779231

M. W.

251.27992

CAS

175203-65-3

Similarity

N/A

ID: 82869

N,N-dimethyl-3-(pyridin-4-yl)propanamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
Apollo Scientific	OR25624

Database	Data ID
PubChem	2779232

M. W.

178.23096

CAS

Similarity

N/A

ID: 82870

3-[(1-benzylpiperidin-4-yl)oxy]propanamide

$$$$ Data

M. F.

C15H22N2O2

Suppliers	Catalog Number
Apollo Scientific	OR25625

Database	Data ID
PubChem	2779233

M. W.

262.34738

CAS

175203-67-5

Similarity

N/A

ID: 82871

(3-{3-[(hydroxyimino)methyl]phenyl}prop-2-yn-1-yl)dimethylamine

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Apollo Scientific	OR25626

Database	Data ID
PubChem	9582250

M. W.

202.25236

CAS

175203-68-6

Similarity

N/A

ID: 82872

dimethyl[3-(pyridin-4-yl)propyl]amine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Apollo Scientific	OR25627

Database	Data ID
PubChem	459509

M. W.

164.24744

CAS

64262-19-7

Similarity

N/A

ID: 82873

5-(2-phenylethynyl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C14H9NO2

Suppliers	Catalog Number
Maybridge	KM08328
Apollo Scientific	OR25628

Database	Data ID
PubChem	2779236

M. W.

223.22676

CAS

175203-69-7

Similarity

N/A

ID: 82874

3-[(2-hydroxyethyl)sulfanyl]-6-nitro-2,3-dihydro-1λ⁶-benzothiophene-...

$$$$ Data

M. F.

C10H11NO5S2

Suppliers	Catalog Number
Maybridge	KM08337
Apollo Scientific	OR25629

Database	Data ID
PubChem	2779237

M. W.

289.32804

CAS

175203-70-0

Similarity

N/A

ID: 82875

ethyl 5-[3-(dimethylamino)prop-1-yn-1-yl]pyridine-3-carboxylate

$$$$ Data

M. F.

C13H16N2O2

Suppliers	Catalog Number
Apollo Scientific	OR25630

Database	Data ID
PubChem	2779239

M. W.

232.27834

CAS

175203-71-1

Similarity

N/A

ID: 82876

3-(methylsulfanyl)-1-phenyl-1H-pyrazole-4-carbothioamide

$$$$ Data

M. F.

C11H11N3S2

Suppliers	Catalog Number
Apollo Scientific	OR25631

Database	Data ID
PubChem	2779241

M. W.

249.35514

CAS

175203-73-3

Similarity

N/A

ID: 82877

N-[(3-phenoxythiophen-2-yl)methylidene]hydroxylamine

$$$$ Data

M. F.

C11H9NO2S

Suppliers	Catalog Number
Apollo Scientific	OR25633

Database	Data ID
PubChem	9582251

M. W.

219.25966

CAS

175203-75-5

Similarity

N/A

ID: 82878

4-(2,4,6-trichlorophenoxy)aniline

$$$$ Data

M. F.

C12H8Cl3NO

Suppliers	Catalog Number
Apollo Scientific	OR25634

Database	Data ID
PubChem	33473

M. W.

288.55702

CAS

Similarity

N/A

ID: 82879

3-(3-phenoxythiophen-2-yl)-1-phenylprop-2-en-1-one

$$$$ Data

M. F.

C19H14O2S

Suppliers	Catalog Number
Apollo Scientific	OR25635

Database	Data ID
PubChem	5709055

M. W.

306.37826

CAS

Similarity

N/A

ID: 82880

3-(3-phenoxythiophen-2-yl)-1-(thiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C17H12O2S2

Suppliers	Catalog Number
Apollo Scientific	OR25636

Database	Data ID
PubChem	5709056

M. W.

312.40598

CAS

Similarity

N/A

ID: 82881

1-(4-chlorophenyl)-3-(3-phenoxythiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C19H13ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR25637

Database	Data ID
PubChem	5709057

M. W.

340.82332

CAS

Similarity

N/A

ID: 82882

1-(4-methoxyphenyl)-3-(3-phenoxythiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C20H16O3S

Suppliers	Catalog Number
Apollo Scientific	OR25638

Database	Data ID
PubChem	5709058

M. W.

336.40424

CAS

Similarity

N/A

ID: 82883

3-acetyl-2-methylquinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR25639
A&J Pharmtech	AJA-O6157

Database	Data ID
PubChem	404291

M. W.

218.2087

CAS

13297-17-1

Similarity

N/A

ID: 82884

6,7-dimethoxy-1,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR2564
Bide Pharmatech	BD8431

Database	Data ID
PubChem	1501878

M. W.

206.198

CAS

13794-72-4

Similarity

N/A

ID: 82885

3-(methoxycarbonyl)-2-methylquinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Apollo Scientific	OR25640

Database	Data ID
PubChem	332586

M. W.

234.2081

CAS

40016-70-4

Similarity

N/A

ID: 82886

3-(hydrazinecarbonyl)-2-methylquinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C10H10N4O3

Suppliers	Catalog Number
Apollo Scientific	OR25641

Database	Data ID
PubChem	208897

M. W.

234.2114

CAS

Similarity

N/A

ID: 82887

2-methylquinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR25642
TRC	M326390

Database	Data ID
PubChem	81144

M. W.

176.17202

CAS

6639-86-7

Similarity

N/A

ID: 82888

3-{[(4-chlorophenyl)formohydrazido]carbonyl}-2-methylquinoxaline-1,4-diium-1,4-b...

$$$$ Data

M. F.

C17H13ClN4O4

Suppliers	Catalog Number
Apollo Scientific	OR25643

Database	Data ID
PubChem	2779257

M. W.

372.76252

CAS

Similarity

N/A

ID: 82889

3-(methoxycarbonyl)-2-methylquinoxalin-1-ium-1-olate

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR25644
InterBioScreen	BB_SC-3173

Database	Data ID
PubChem	736794

M. W.

218.2087

CAS

61522-53-0

Similarity

N/A

ID: 82890

3-(ethoxycarbonyl)-2-methylquinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR25645

Database	Data ID
PubChem	404277

M. W.

248.23468

CAS

13297-18-2

Similarity

N/A

ID: 82891

3-(ethoxycarbonyl)-2-methylquinoxalin-1-ium-1-olate

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR25646

Database	Data ID
PubChem	616024

M. W.

232.23528

CAS

94098-94-9

Similarity

N/A

ID: 82892

2-methyl-3-[(thiophen-2-ylformohydrazido)carbonyl]quinoxaline-1,4-diium-1,4-bis(...

$$$$ Data

M. F.

C15H12N4O4S

Suppliers	Catalog Number
Apollo Scientific	OR25647

Database	Data ID
PubChem	2779260

M. W.

344.34518

CAS

Similarity

N/A

ID: 82893

2-methyl-3-[(phenylformohydrazido)carbonyl]quinoxaline-1,4-diium-1,4-bis(olate)

$$$$ Data

M. F.

C17H14N4O4

Suppliers	Catalog Number
Apollo Scientific	OR25648

Database	Data ID
PubChem	2779261

M. W.

338.31746

CAS

Similarity

N/A

ID: 82894

1-benzyl-4-(1H-pyrrol-1-yl)piperidine

$$$$ Data

M. F.

C16H20N2

Suppliers	Catalog Number
Apollo Scientific	OR25649
Enamine	EN300-52430

Database	Data ID
PubChem	2779264

M. W.

240.3434

CAS

Similarity

N/A

ID: 82895

3-(hydrazinecarbonyl)-2-methylquinoxalin-1-ium-1-olate

$$$$ Data

M. F.

C10H10N4O2

Suppliers	Catalog Number
Apollo Scientific	OR25650

Database	Data ID
PubChem	2779265

M. W.

218.212

CAS

Similarity

N/A

ID: 82896

3-chloro-5-(4-methylphenyl)-1,2-thiazole-4-carbonitrile

$$$$ Data

M. F.

C11H7ClN2S

Suppliers	Catalog Number
Apollo Scientific	OR25652

Database	Data ID
PubChem	2779266

M. W.

234.70468

CAS

Similarity

N/A

ID: 82897

methyl 5-(2-phenylethynyl)furan-2-carboxylate

$$$$ Data

M. F.

C14H10O3

Suppliers	Catalog Number
Maybridge	KM08614
Apollo Scientific	OR25653

Database	Data ID
PubChem	683988

M. W.

226.2274

CAS

130423-85-7

Similarity

N/A

ID: 82898

ethyl 2-[3-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,2,4-oxadiazol-5-yl]acetate

$$$$ Data

M. F.

C14H14N2O5

Suppliers	Catalog Number
Apollo Scientific	OR25654

Database	Data ID
PubChem	2779267

M. W.

290.27136

CAS

Similarity

N/A

ID: 82899

ethyl 5-(1,1,2,2-tetrabromo-2-phenylethyl)pyridine-3-carboxylate

$$$$ Data

M. F.

C16H13Br4NO2

Suppliers	Catalog Number
Apollo Scientific	OR25656

Database	Data ID
PubChem	2779269

M. W.

570.89592

CAS

Similarity

N/A

ID: 82900

N-[4-(4,5-dichloro-1H-imidazol-1-yl)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

$$$$ Data

M. F.

C15H9Cl2N5O2S2

Suppliers	Catalog Number
Apollo Scientific	OR25657

Database	Data ID
PubChem	2779271

M. W.

426.30026

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