Chembase list of 866358 unique molecular structures

4-[4-(4-chlorophenyl)piperazin-1-yl]aniline

$$$$ Data

M. F.

C16H18ClN3

Suppliers	Catalog Number
Apollo Scientific	OR5131

Database	Data ID
PubChem	9161530

M. W.

287.78722

CAS

Similarity

N/A

ID: 89502

4-[4-(2,3-dichlorophenyl)piperazin-1-yl]aniline

$$$$ Data

M. F.

C16H17Cl2N3

Suppliers	Catalog Number
Apollo Scientific	OR5132

Database	Data ID
PubChem	26966897

M. W.

322.23228

CAS

Similarity

N/A

ID: 89503

4-[4-(2-chlorophenyl)piperazin-1-yl]aniline

$$$$ Data

M. F.

C16H18ClN3

Suppliers	Catalog Number
Apollo Scientific	OR5133

Database	Data ID
PubChem	12590639

M. W.

287.78722

CAS

Similarity

N/A

ID: 89504

4-{4-[4-(propan-2-yl)phenyl]piperazin-1-yl}aniline

$$$$ Data

M. F.

C19H25N3

Suppliers	Catalog Number
Apollo Scientific	OR5134

Database	Data ID
PubChem	26966900

M. W.

295.4219

CAS

Similarity

N/A

ID: 89505

4-(4-propylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C13H21N3

Suppliers	Catalog Number
Apollo Scientific	OR5135

Database	Data ID
PubChem	9161541

M. W.

219.32594

CAS

Similarity

N/A

ID: 89506

4-(4-butylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C14H23N3

Suppliers	Catalog Number
Apollo Scientific	OR5136

Database	Data ID
PubChem	9161548

M. W.

233.35252

CAS

Similarity

N/A

ID: 89507

4-(4-aminophenyl)piperazine-1-carbaldehyde

$$$$ Data

M. F.

C11H15N3O

Suppliers	Catalog Number
Apollo Scientific	OR5137

Database	Data ID
PubChem	26966902

M. W.

205.2563

CAS

Similarity

N/A

ID: 89508

4-[4-(4-propylphenyl)piperazin-1-yl]aniline

$$$$ Data

M. F.

C19H25N3

Suppliers	Catalog Number
Apollo Scientific	OR5139

Database	Data ID
PubChem	26966904

M. W.

295.4219

CAS

Similarity

N/A

ID: 89509

4-[4-(3,4-dichlorophenyl)piperazin-1-yl]aniline

$$$$ Data

M. F.

C16H17Cl2N3

Suppliers	Catalog Number
Apollo Scientific	OR5140

Database	Data ID
PubChem	1820371

M. W.

322.23228

CAS

Similarity

N/A

ID: 89510

1-ethylpiperazine

$$$$ Data More

M. F.

C6H14N2

Suppliers	Catalog Number
Sigma Aldrich	415308
Alfa Aesar	L15539
Apollo Scientific	OR5141

Database	Data ID
PubChem	79196

M. W.

114.18876

CAS

5308-25-8

Similarity

N/A

ID: 89511

1,4-diethylpiperazine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Alfa Aesar	B24743
Apollo Scientific	OR5142
A&J Pharmtech	AJA-O9400

Database	Data ID
PubChem	80973

M. W.

142.24192

CAS

6483-50-7

Similarity

N/A

ID: 89512

1,4-dimethylpiperazine

$$$$ Data More

M. F.

C6H14N2

Suppliers	Catalog Number
Sigma Aldrich	D179302
MP Biomedicals	05213775
Alfa Aesar	B24419

Database	Data ID
PubChem	7818

M. W.

114.18876

CAS

106-58-1

Similarity

N/A

ID: 89513

1-benzyl-3-phenylpiperazine

$$$$ Data

M. F.

C17H20N2

Suppliers	Catalog Number
Alfa Aesar	H52415
Apollo Scientific	OR5145
Life Chemicals	F2147-0816

Database	Data ID
PubChem	17750440

M. W.

252.3541

CAS

5368-32-1

Similarity

N/A

ID: 89514

N-[(2S,3R,4S,6S)-2-hydroxy-6-(hydroxymethyl)-4-{[(1S,2S,3R,4R,5R)-2,3,4-trihydro...

$$$$ Data

M. F.

C15H27NO8

Suppliers	Catalog Number
Apollo Scientific	OR5150T

Database	Data ID
PubChem	71299547

M. W.

349.37678

CAS

24876-86-6

Similarity

N/A

ID: 89515

3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine

$$$$ Data More

M. F.

C10H24N4

Suppliers	Catalog Number
Sigma Aldrich	239488
MP Biomedicals	05221748
Alfa Aesar	L12508

Database	Data ID
PubChem	81629

M. W.

200.32436

CAS

7209-38-3

Similarity

N/A

ID: 89516

(2R,6S)-2,6-dimethylpiperazine

$$$$ Data

M. F.

C6H14N2

Suppliers	Catalog Number
Alfa Aesar	L15684
Apollo Scientific	OR5153
Bide Pharmatech	BD68501

Database	Data ID
PubChem	6950261

M. W.

114.18876

CAS

108-49-6

Similarity

N/A

ID: 89517

1,3-disodium 7-aminonaphthalene-1,3-disulfonate

$$$$ Data

M. F.

C10H7NNa2O6S2

Suppliers	Catalog Number
Apollo Scientific	OR5155

Database	Data ID
PubChem	44119564

M. W.

347.27522

CAS

Similarity

N/A

ID: 89518

N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4R,5S,6S)-3,4,5-trih...

$$$$ Data

M. F.

C14H25NO10

Suppliers	Catalog Number
Apollo Scientific	OR5155T
TRC	A151550

Database	Data ID
PubChem	71299548

M. W.

367.349

CAS

76211-71-7

Similarity

N/A

ID: 89519

2-chloro-4-methylbenzoic acid

$$$$ Data

M. F.

C8H7ClO2

Suppliers	Catalog Number
Apollo Scientific	OR5156
Chemik	CHB38294
Bide Pharmatech	BD73011

Database	Data ID
PubChem	2735755

M. W.

170.59298

CAS

7697-25-8

Similarity

N/A

ID: 89520

2,4-dinitrobenzonitrile

$$$$ Data

M. F.

C7H3N3O4

Suppliers	Catalog Number
Sigma Aldrich	527696
Apollo Scientific	OR5158

Database	Data ID
PubChem	554082

M. W.

193.11642

CAS

4110-33-2

Similarity

N/A

ID: 89521

2,4-dinitrobenzoic acid

$$$$ Data More

M. F.

C7H4N2O6

Suppliers	Catalog Number
Sigma Aldrich	137952 41910 45917
MP Biomedicals	05202734 02150960
Alfa Aesar	A14536

Database	Data ID
PubChem	11880

M. W.

212.11646

CAS

610-30-0

Similarity

N/A

ID: 89522

7-ethyl-1H-indole

$$$$ Data More

M. F.

C10H11N

Suppliers	Catalog Number
Sigma Aldrich	46086
Alfa Aesar	L14875
Apollo Scientific	OR5162

Database	Data ID
PubChem	2724711

M. W.

145.20104

CAS

22867-74-9

Similarity

N/A

ID: 89523

3,7,11,15-tetramethylhexadec-2-enoic acid

$$$$ Data

M. F.

C20H38O2

Suppliers	Catalog Number
Apollo Scientific	OR5165

Database	Data ID
PubChem	5312330

M. W.

310.51452

CAS

Similarity

N/A

ID: 89524

cyclohexylmethanamine

$$$$ Data More

M. F.

C7H15N

Suppliers	Catalog Number
Sigma Aldrich	101842 08454
Alfa Aesar	L06501
Apollo Scientific	OR5167

Database	Data ID
PubChem	76688

M. W.

113.2007

CAS

3218-02-8

Similarity

N/A

ID: 89525

6-ethoxy-1,3-benzothiazole-2-thiol

$$$$ Data More

M. F.

C9H9NOS2

Suppliers	Catalog Number
Sigma Aldrich	142174
Alfa Aesar	L04447
Apollo Scientific	OR5168

Database	Data ID
PubChem	719344

M. W.

211.30386

CAS

120-53-6

Similarity

N/A

ID: 89526

2-isocyanato-2-methylpropane

$$$$ Data More

M. F.

C5H9NO

Suppliers	Catalog Number
Sigma Aldrich	144452
Alfa Aesar	L13371
Apollo Scientific	OR5169

Database	Data ID
PubChem	62412

M. W.

99.13106

CAS

1609-86-5

Similarity

N/A

ID: 89527

5-(benzyloxy)-4-methylpentanoic acid

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Apollo Scientific	OR5170

Database	Data ID
PubChem	2737476

M. W.

222.28022

CAS

Similarity

N/A

ID: 89528

5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one

$$$$ Data

M. F.

C12H14O

Suppliers	Catalog Number
Sigma Aldrich	168971
MP Biomedicals	05202762
Apollo Scientific	OR5171

Database	Data ID
PubChem	83619

M. W.

174.23896

CAS

13621-25-5

Similarity

N/A

ID: 89529

(2S)-2-phenyloxirane

$$$$ Data More

M. F.

C8H8O

Suppliers	Catalog Number
Sigma Aldrich	726834 540102 78885
Alfa Aesar	B21245
Apollo Scientific	OR5172

Database	Data ID
PubChem	114946

M. W.

120.14852

CAS

20780-53-4

Similarity

N/A

ID: 89530

N-(4-cyano-2-nitrophenyl)acetamide

$$$$ Data

M. F.

C9H7N3O3

Suppliers	Catalog Number
Apollo Scientific	OR51724

Database	Data ID
PubChem	2735226

M. W.

205.17018

CAS

Similarity

N/A

ID: 89531

6-aminonaphthalene-2-carboxylic acid

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Sigma Aldrich	512370
Apollo Scientific	OR51725

Database	Data ID
PubChem	2733954

M. W.

187.19466

CAS

116668-47-4

Similarity

N/A

ID: 89532

1-(6-amino-2H-1,3-benzodioxol-5-yl)ethan-1-one

$$$$ Data More

M. F.

C9H9NO3

Suppliers	Catalog Number
Alfa Aesar	A16771
Apollo Scientific	OR5173
InterBioScreen	BB_NC-2009

Database	Data ID
PubChem	120000

M. W.

179.17266

CAS

28657-75-2

Similarity

N/A

ID: 89533

3-cyanobenzoyl chloride

$$$$ Data

M. F.

C8H4ClNO

Suppliers	Catalog Number
Sigma Aldrich	302538
Apollo Scientific	OR51730

Database	Data ID
PubChem	308483

M. W.

165.57646

CAS

1711-11-1

Similarity

N/A

ID: 89534

2,5-bis(thiophen-2-yl)thiophene

$$$$ Data More

M. F.

C12H8S3

Suppliers	Catalog Number
Sigma Aldrich	T5406 311073 86496
Alfa Aesar	A16748
Apollo Scientific	OR51731

Database	Data ID
Wikipedia	Terthiophene
PubChem	65067

M. W.

248.38692

CAS

1081-34-1

Similarity

N/A

ID: 89535

5-(4-phenylphenyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C14H11N3S

Suppliers	Catalog Number
Apollo Scientific	OR51735

Database	Data ID
PubChem	3734655

M. W.

253.32224

CAS

70057-66-8

Similarity

N/A

ID: 89536

2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethan-1-ol

$$$$ Data

M. F.

C11H19BN2O3

Suppliers	Catalog Number
Apollo Scientific	OR51738
Bide Pharmatech	BD220112
A&J Pharmtech	AJA-O2758

Database	Data ID
PubChem	45788855

M. W.

238.09116

CAS

1040377-08-9

Similarity

N/A

ID: 89537

N-butyl-4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

$$$$ Data

M. F.

C18H28BNO3

Suppliers	Catalog Number
Apollo Scientific	OR51742

Database	Data ID
PubChem	71300055

M. W.

317.23082

CAS

Similarity

N/A

ID: 89538

benzyl 6-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C14H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR51745

Database	Data ID
PubChem	20795982

M. W.

227.25852

CAS

Similarity

N/A

ID: 89539

1-propylpiperazine hydrochloride

$$$$ Data

M. F.

C7H17ClN2

Suppliers	Catalog Number
Apollo Scientific	OR51746

Database	Data ID
PubChem	3018287

M. W.

164.67628

CAS

71888-55-6

Similarity

N/A

ID: 89540

5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
ChemBridge	4033243
Apollo Scientific	OR51747
Life Chemicals	F2146-0068

Database	Data ID
PubChem	256462

M. W.

191.18666

CAS

1673-44-5

Similarity

N/A

ID: 89541

N-(furan-2-ylmethyl)-4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

$$$$ Data

M. F.

C19H24BNO4

Suppliers	Catalog Number
Apollo Scientific	OR51748

Database	Data ID
PubChem	71300056

M. W.

341.20916

CAS

Similarity

N/A

ID: 89542

tert-butyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

$$$$ Data

M. F.

C10H19NO4

Suppliers	Catalog Number
Apollo Scientific	OR51749

Database	Data ID
PubChem	12709320

M. W.

217.26216

CAS

61478-26-0

Similarity

N/A

ID: 89543

1-[2-(oxan-2-yloxy)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C16H27BN2O4

Suppliers	Catalog Number
Apollo Scientific	OR51750

Database	Data ID
PubChem	59341819

M. W.

322.20758

CAS

956907-34-9

Similarity

N/A

ID: 89544

4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine hydrochlor...

$$$$ Data

M. F.

C14H25BClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR51751

Database	Data ID
PubChem	66759182

M. W.

313.6312

CAS

1175273-62-7

Similarity

N/A

ID: 89545

3,4,5-trihydroxybenzoic acid

$$$$ Data More

M. F.

C7H6O5

Suppliers	Catalog Number
Sigma Aldrich	G7384 48630 91215 (more...)
BioBioPha	BBP01202
MP Biomedicals	02101750

Database	Data ID
Wikipedia	Gallic_acid
PubChem	370

M. W.

170.11954

CAS

208-96-8

Similarity

N/A

ID: 89546

N,N-dibutylformamide

$$$$ Data

M. F.

C9H19NO

Suppliers	Catalog Number
Sigma Aldrich	D46904 34700
Alfa Aesar	L12755
Apollo Scientific	OR51755

Database	Data ID
PubChem	12975

M. W.

157.25326

CAS

761-65-9

Similarity

N/A

ID: 89547

3-chloropyridine-2-carbaldehyde

$$$$ Data

M. F.

C6H4ClNO

Suppliers	Catalog Number
Apollo Scientific	OR51758
Bide Pharmatech	BD158016
A&J Pharmtech	AJA-O21479

Database	Data ID
PubChem	10749280

M. W.

141.55506

CAS

206181-90-0

Similarity

N/A

ID: 89548

1-oxo-1λ⁴-thiolan-1-ium-1-olate

$$$$ Data More

M. F.

C4H8O2S

Suppliers	Catalog Number
Sigma Aldrich	T22209 88965 86150 (more...)
MP Biomedicals	05218922
Alfa Aesar	A13466 H32505

Database	Data ID
Wikipedia	Sulfolane
PubChem	31347

M. W.

120.17012

CAS

126-33-0

Similarity

N/A

ID: 89549

6-methoxypyridine-2-carbaldehyde

$$$$ Data More

M. F.

C7H7NO2

Suppliers	Catalog Number
Sigma Aldrich	662933
Apollo Scientific	OR51762
Bide Pharmatech	BD4840

Database	Data ID
PubChem	12325392

M. W.

137.13598

CAS

54221-96-4

Similarity

N/A

ID: 89550

5-bromo-3-methylpyridine-2-carbaldehyde

$$$$ Data

M. F.

C7H6BrNO

Suppliers	Catalog Number
Apollo Scientific	OR51763

Database	Data ID
PubChem	12109864

M. W.

200.03264

CAS

376587-53-0

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