Chembase list of 866358 unique molecular structures

3,5-dichlorophenyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonate

$$$$ Data

M. F.

C11H5Cl3N2O3S2

Suppliers	Catalog Number
Apollo Scientific	OR29802

Database	Data ID
PubChem	2799723

M. W.

383.658

CAS

Similarity

N/A

ID: 86652

ethyl 4-chloro-2-(thiophen-2-yl)pyrimidine-5-carboxylate

$$$$ Data

M. F.

C11H9ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR29803

Database	Data ID
PubChem	2799726

M. W.

268.71936

CAS

Similarity

N/A

ID: 86653

2-(phenylsulfanyl)ethanimidamide hydrochloride

$$$$ Data

M. F.

C8H11ClN2S

Suppliers	Catalog Number
Maybridge	SPB05877
Apollo Scientific	OR29804
Enamine	EN300-120561

Database	Data ID
PubChem	2746028

M. W.

202.70434

CAS

84544-86-5

Similarity

N/A

ID: 86654

6-[(4-methylphenyl)sulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

$$$$ Data

M. F.

C13H10N2OS2

Suppliers	Catalog Number
Apollo Scientific	OR29805

Database	Data ID
PubChem	1485926

M. W.

274.3613

CAS

175277-55-1

Similarity

N/A

ID: 86655

ethyl 4-hydrazinyl-2-(thiophen-2-yl)pyrimidine-5-carboxylate

$$$$ Data

M. F.

C11H12N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR29806

Database	Data ID
PubChem	2799738

M. W.

264.30358

CAS

Similarity

N/A

ID: 86656

6-methylpyridine-3-carbothioamide

$$$$ Data

M. F.

C7H8N2S

Suppliers	Catalog Number
Apollo Scientific	OR29808

Database	Data ID
PubChem	2746076

M. W.

152.21682

CAS

175277-57-3

Similarity

N/A

ID: 86657

6-(4-chlorophenoxy)pyridine-3-carbothioamide

$$$$ Data

M. F.

C12H9ClN2OS

Suppliers	Catalog Number
Apollo Scientific	OR29809

Database	Data ID
PubChem	2746082

M. W.

264.73066

CAS

175277-58-4

Similarity

N/A

ID: 86658

4-chloro-N-ethyl-2-nitroaniline

$$$$ Data

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR2981

Database	Data ID
PubChem	97006

M. W.

200.62226

CAS

Similarity

N/A

ID: 86659

3-(N'-hydroxycarbamimidoyl)pyridin-1-ium-1-olate

$$$$ Data

M. F.

C6H7N3O2

Suppliers	Catalog Number
Apollo Scientific	OR29810

Database	Data ID
PubChem	9583114

M. W.

153.13868

CAS

Similarity

N/A

ID: 86660

6-chloro-N-phenylpyridine-3-carboxamide

$$$$ Data

M. F.

C12H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR29813

Database	Data ID
PubChem	5213538

M. W.

232.66566

CAS

Similarity

N/A

ID: 86661

6-chloro-N-(4-chlorophenyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C12H8Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR29814

Database	Data ID
PubChem	2799768

M. W.

267.11072

CAS

Similarity

N/A

ID: 86662

2-[(4-methylphenyl)sulfanyl]acetonitrile

$$$$ Data

M. F.

C9H9NS

Suppliers	Catalog Number
Apollo Scientific	OR29815

Database	Data ID
PubChem	2799771

M. W.

163.23946

CAS

21681-88-9

Similarity

N/A

ID: 86663

1-(9H-fluoren-9-yl)piperazine dihydrochloride

$$$$ Data

M. F.

C17H20Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR29818

Database	Data ID
PubChem	2746180

M. W.

323.2601

CAS

175277-64-2

Similarity

N/A

ID: 86664

methyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C12H9Cl2NO3

Suppliers	Catalog Number
Apollo Scientific	OR29819
TRC	D435960

Database	Data ID
PubChem	619436

M. W.

286.11076

CAS

4402-83-9

Similarity

N/A

ID: 86665

ethyl 3-oxo-2-(thiophene-2-carbonyl)butanoate

$$$$ Data

M. F.

C11H12O4S

Suppliers	Catalog Number
Maybridge	SPB06208
Apollo Scientific	OR29822

Database	Data ID
PubChem	2799794

M. W.

240.27558

CAS

13892-51-8

Similarity

N/A

ID: 86666

2-methoxybenzoyl chloride

$$$$ Data More

M. F.

C8H7ClO2

Suppliers	Catalog Number
Sigma Aldrich	254703 64816
Alfa Aesar	B22784
Apollo Scientific	OR29824

Database	Data ID
PubChem	88969

M. W.

170.59298

CAS

21615-34-9

Similarity

N/A

ID: 86667

ethyl 2-chloro-6-methyl-4-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylate

$$$$ Data

M. F.

C16H16ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR29825

Database	Data ID
PubChem	2799802

M. W.

321.82174

CAS

Similarity

N/A

ID: 86668

diphenyl(pyridin-4-yl)methanol

$$$$ Data

M. F.

C18H15NO

Suppliers	Catalog Number
Sigma Aldrich	121983
Maybridge	SPB06323
Apollo Scientific	OR29826

Database	Data ID
PubChem	74177

M. W.

261.3178

CAS

1620-30-0

Similarity

N/A

ID: 86669

4-(9H-fluoren-9-yl)pyridine

$$$$ Data

M. F.

C18H13N

Suppliers	Catalog Number
Maybridge	SPB06366
Apollo Scientific	OR29827

Database	Data ID
PubChem	2746284

M. W.

243.30252

CAS

2769-87-1

Similarity

N/A

ID: 86670

2-methoxypyridine-4-carboxamide

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR29828
Bide Pharmatech	BD76524
A&J Pharmtech	AJA-O141

Database	Data ID
PubChem	2746285

M. W.

152.15062

CAS

105612-50-8

Similarity

N/A

ID: 86671

N-(4-bromo-3-chlorophenyl)acetamide

$$$$ Data

M. F.

C8H7BrClNO

Suppliers	Catalog Number
Alfa Aesar	A16547
Apollo Scientific	OR29830

Database	Data ID
PubChem	2746295

M. W.

248.50428

CAS

22459-81-0

Similarity

N/A

ID: 86672

6-chloro-N-(4-chlorobenzenecarboximidoyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C13H9Cl2N3O

Suppliers	Catalog Number
Apollo Scientific	OR29833

Database	Data ID
PubChem	2799834

M. W.

294.13606

CAS

Similarity

N/A

ID: 86673

6-chloro-N-(3,5-dichlorobenzenecarboximidoyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C13H8Cl3N3O

Suppliers	Catalog Number
Apollo Scientific	OR29834

Database	Data ID
PubChem	2799838

M. W.

328.58112

CAS

Similarity

N/A

ID: 86674

pyrimidine-2-thiol

$$$$ Data More

M. F.

C4H4N2S

Suppliers	Catalog Number
Sigma Aldrich	129623 63851
MP Biomedicals	05210167 02151604
Alfa Aesar	A13382

Database	Data ID
PubChem	1550489

M. W.

112.15296

CAS

1450-85-7

Similarity

N/A

ID: 86675

2-chloro-6-(phenylsulfanyl)pyridine-4-carbonitrile

$$$$ Data

M. F.

C12H7ClN2S

Suppliers	Catalog Number
Apollo Scientific	OR29836

Database	Data ID
PubChem	2799846

M. W.

246.71538

CAS

Similarity

N/A

ID: 86676

2-chloro-6-[(5-hydroxy-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carbon...

$$$$ Data

M. F.

C14H8ClN5OS

Suppliers	Catalog Number
Apollo Scientific	OR29838

Database	Data ID
PubChem	2799852

M. W.

329.76422

CAS

Similarity

N/A

ID: 86677

2-chloro-6-(4-methylphenoxy)pyridine-4-carbonitrile

$$$$ Data

M. F.

C13H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR29839

Database	Data ID
PubChem	2799854

M. W.

244.67636

CAS

Similarity

N/A

ID: 86678

2-hydroxy-3,5-dinitrobenzoic acid

$$$$ Data More

M. F.

C7H4N2O7

Suppliers	Catalog Number
Sigma Aldrich	D0550 128848 42260
MP Biomedicals	05203714
Alfa Aesar	A16988

Database	Data ID
Wikipedia	3,5-Dinitrosalicylic_acid
PubChem	11873

M. W.

228.11586

CAS

609-99-4

Similarity

N/A

ID: 86679

2-(4-bromophenoxy)-6-chloropyridine-4-carbonitrile

$$$$ Data

M. F.

C12H6BrClN2O

Suppliers	Catalog Number
Apollo Scientific	OR29840

Database	Data ID
PubChem	2799855

M. W.

309.54584

CAS

Similarity

N/A

ID: 86680

2-chloro-6-(3,5-dichlorophenoxy)pyridine-4-carbonitrile

$$$$ Data

M. F.

C12H5Cl3N2O

Suppliers	Catalog Number
Apollo Scientific	OR29841

Database	Data ID
PubChem	2799857

M. W.

299.5399

CAS

Similarity

N/A

ID: 86681

2-chloro-6-methylpyrimidine-4-carbohydrazide

$$$$ Data

M. F.

C6H7ClN4O

Suppliers	Catalog Number
Apollo Scientific	OR29842

Database	Data ID
PubChem	2799860

M. W.

186.59898

CAS

Similarity

N/A

ID: 86682

2-chloro-6-(4-chlorophenoxy)pyridine-4-carbonitrile

$$$$ Data

M. F.

C12H6Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR29843

Database	Data ID
PubChem	2799862

M. W.

265.09484

CAS

Similarity

N/A

ID: 86683

6-chloro-N'-(2-chloro-6-methylpyrimidine-4-carbonyl)pyridine-3-carbohydrazide

$$$$ Data

M. F.

C12H9Cl2N5O2

Suppliers	Catalog Number
Apollo Scientific	OR29844

Database	Data ID
PubChem	2799867

M. W.

326.13816

CAS

Similarity

N/A

ID: 86684

2-chloro-6-methyl-N-[(phenylcarbamoyl)amino]pyrimidine-4-carboxamide

$$$$ Data

M. F.

C13H12ClN5O2

Suppliers	Catalog Number
Apollo Scientific	OR29845

Database	Data ID
PubChem	2799870

M. W.

305.71968

CAS

Similarity

N/A

ID: 86685

2-chloro-N-{[(4-chlorophenyl)carbamoyl]amino}-6-methylpyrimidine-4-carboxamide

$$$$ Data

M. F.

C13H11Cl2N5O2

Suppliers	Catalog Number
Apollo Scientific	OR29846

Database	Data ID
PubChem	2799873

M. W.

340.16474

CAS

Similarity

N/A

ID: 86686

2-chloro-6-methyl-N-{[(3-methylphenyl)carbamoyl]amino}pyrimidine-4-carboxamide

$$$$ Data

M. F.

C14H14ClN5O2

Suppliers	Catalog Number
Apollo Scientific	OR29847

Database	Data ID
PubChem	2799875

M. W.

319.74626

CAS

Similarity

N/A

ID: 86687

N-(2,6-dichloropyridine-4-carboximidoyl)thiophene-2-carboxamide

$$$$ Data

M. F.

C11H7Cl2N3OS

Suppliers	Catalog Number
Apollo Scientific	OR29848

Database	Data ID
PubChem	2799880

M. W.

300.16378

CAS

Similarity

N/A

ID: 86688

2-[2-chloro-6-(4-chlorophenoxy)pyridin-4-yl]-6-methylpyrimidin-4-ol

$$$$ Data

M. F.

C16H11Cl2N3O2

Suppliers	Catalog Number
Apollo Scientific	OR29849

Database	Data ID
PubChem	2799883

M. W.

348.18344

CAS

Similarity

N/A

ID: 86689

5-bromo-4-methyl-2-phenyl-1,3-thiazole

$$$$ Data

M. F.

C10H8BrNS

Suppliers	Catalog Number
Maybridge	CC29210
Apollo Scientific	OR2985

Database	Data ID
PubChem	2795494

M. W.

254.14622

CAS

28771-82-6

Similarity

N/A

ID: 86690

2-[2-chloro-6-(4-chlorophenoxy)pyridin-4-yl]-6-(methoxymethyl)pyrimidin-4-ol

$$$$ Data

M. F.

C17H13Cl2N3O3

Suppliers	Catalog Number
Apollo Scientific	OR29850

Database	Data ID
PubChem	2799886

M. W.

378.20942

CAS

Similarity

N/A

ID: 86691

5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C13H9Cl2N5S

Suppliers	Catalog Number
Apollo Scientific	OR29851

Database	Data ID
PubChem	2799889

M. W.

338.21506

CAS

Similarity

N/A

ID: 86692

4-[5-(benzylsulfanyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]-2-chloro-6-methy...

$$$$ Data

M. F.

C20H15Cl2N5S

Suppliers	Catalog Number
Apollo Scientific	OR29852

Database	Data ID
PubChem	2799892

M. W.

428.3376

CAS

Similarity

N/A

ID: 86693

2-chloro-4-[4-(4-chlorophenyl)-5-{[(4-chlorophenyl)methyl]sulfanyl}-4H-1,2,4-tri...

$$$$ Data

M. F.

C20H14Cl3N5S

Suppliers	Catalog Number
Apollo Scientific	OR29853

Database	Data ID
PubChem	2799895

M. W.

462.78266

CAS

Similarity

N/A

ID: 86694

2,4-dichloro-N-hydroxybenzene-1-carbonimidoyl chloride

$$$$ Data

M. F.

C7H4Cl3NO

Suppliers	Catalog Number
Maybridge	SPB06594
Apollo Scientific	OR29855

Database	Data ID
PubChem	9583124

M. W.

224.47176

CAS

29203-60-9

Similarity

N/A

ID: 86695

2-chloro-6-(pyridin-2-ylsulfanyl)pyridine-4-carbothioamide

$$$$ Data

M. F.

C11H8ClN3S2

Suppliers	Catalog Number
Apollo Scientific	OR29859

Database	Data ID
PubChem	2799916

M. W.

281.78432

CAS

Similarity

N/A

ID: 86696

2-chloro-6-(4-chlorophenoxy)pyridine-4-carbothioamide

$$$$ Data

M. F.

C12H8Cl2N2OS

Suppliers	Catalog Number
Maybridge	SPB06639
Apollo Scientific	OR29860

Database	Data ID
PubChem	2799919

M. W.

299.17572

CAS

266362-89-4

Similarity

N/A

ID: 86697

2-chloro-6-(4-chlorophenoxy)-4-(4-phenyl-1,3-thiazol-2-yl)pyridine

$$$$ Data

M. F.

C20H12Cl2N2OS

Suppliers	Catalog Number
Apollo Scientific	OR29862

Database	Data ID
PubChem	2799928

M. W.

399.29308

CAS

Similarity

N/A

ID: 86698

2-chloro-6-(4-chlorophenoxy)-4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine

$$$$ Data

M. F.

C20H11Cl3N2OS

Suppliers	Catalog Number
Apollo Scientific	OR29863

Database	Data ID
PubChem	2799930

M. W.

433.73814

CAS

Similarity

N/A

ID: 86699

4-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloro-6-(4-chlorophenoxy)pyridine

$$$$ Data

M. F.

C18H16Cl2N2OS

Suppliers	Catalog Number
Apollo Scientific	OR29864

Database	Data ID
PubChem	2799932

M. W.

379.30344

CAS

Similarity

N/A

ID: 86700

2-chloro-4-(4-phenyl-1,3-thiazol-2-yl)-6-(pyridin-2-ylsulfanyl)pyridine

$$$$ Data

M. F.

C19H12ClN3S2

Suppliers	Catalog Number
Apollo Scientific	OR29865

Database	Data ID
PubChem	2799936

M. W.

381.90168

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