Chembase list of 866358 unique molecular structures

3-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl...

$$$$ Data

M. F.

C12H13N3O2S

Suppliers	Catalog Number
Matrix Scientific	012136

Database	Data ID
PubChem	2060237

M. W.

263.31552

CAS

Similarity

N/A

ID: 14602

2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)-3-methylbutanoic acid

$$$$ Data

M. F.

C13H17N3O2S

Suppliers	Catalog Number
Matrix Scientific	012137

Database	Data ID
PubChem	3151025

M. W.

279.35798

CAS

Similarity

N/A

ID: 14603

6-(cyclohexylcarbamoyl)-4-methylcyclohex-3-ene-1-carboxylic acid

$$$$ Data

M. F.

C15H23NO3

Suppliers	Catalog Number
Matrix Scientific	012138

Database	Data ID
PubChem	3151041

M. W.

265.34802

CAS

Similarity

N/A

ID: 14604

3-(2,3-dihydro-1H-isoindol-2-yl)benzoic acid

$$$$ Data

M. F.

C15H13NO2

Suppliers	Catalog Number
ChemBridge	5604831
Matrix Scientific	012139
InterBioScreen	BB_SC-0635

Database	Data ID
PubChem	937745

M. W.

239.26922

CAS

130373-81-8

Similarity

N/A

ID: 14605

4-(2,3-dihydro-1H-isoindol-2-yl)benzoic acid

$$$$ Data

M. F.

C15H13NO2

Suppliers	Catalog Number
ChemBridge	5616316
Matrix Scientific	012140
InterBioScreen	BB_SC-0636

Database	Data ID
PubChem	672190

M. W.

239.26922

CAS

329715-35-7

Similarity

N/A

ID: 14606

5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thiol

$$$$ Data

M. F.

C11H12N2O4S

Suppliers	Catalog Number
Matrix Scientific	012141
Life Chemicals	F2146-0020
Enamine	EN300-03174

Database	Data ID
PubChem	775110

M. W.

268.28898

CAS

23269-92-3

Similarity

N/A

ID: 14607

4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid

$$$$ Data

M. F.

C15H22N2O4

Suppliers	Catalog Number
Matrix Scientific	012142

Database	Data ID
PubChem	3151266

M. W.

294.34618

CAS

Similarity

N/A

ID: 14608

3-(morpholine-4-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

$$$$ Data

M. F.

C12H15NO5

Suppliers	Catalog Number
Matrix Scientific	012143

Database	Data ID
PubChem	3151273

M. W.

253.2512

CAS

Similarity

N/A

ID: 14609

2-[5-(2-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)aceta...

$$$$ Data

M. F.

C13H13N7O2

Suppliers	Catalog Number
Matrix Scientific	012144

Database	Data ID
PubChem	858723

M. W.

299.28802

CAS

436093-06-0

Similarity

N/A

ID: 14610

3-(3-hydroxy-6-oxo-1,6-dihydropyridazin-1-yl)propanoic acid

$$$$ Data

M. F.

C7H8N2O4

Suppliers	Catalog Number
Matrix Scientific	012145
InterBioScreen	BB_SC-1240

Database	Data ID
PubChem	543990

M. W.

184.14942

CAS

Similarity

N/A

ID: 14611

4,6-dihydroxy-2-methylpyrimidine-5-carbaldehyde

$$$$ Data

M. F.

C6H6N2O3

Suppliers	Catalog Number
Matrix Scientific	012146

Database	Data ID
PubChem	5438372

M. W.

154.12344

CAS

14160-85-1

Similarity

N/A

ID: 14612

2-chloro-N-{4-methoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexae...

$$$$ Data

M. F.

C15H12ClNO3

Suppliers	Catalog Number
Matrix Scientific	012147

Database	Data ID
PubChem	2345090

M. W.

289.71368

CAS

Similarity

N/A

ID: 14613

5-(1,3-benzothiazol-2-yl)furan-2-carbaldehyde

$$$$ Data

M. F.

C12H7NO2S

Suppliers	Catalog Number
Matrix Scientific	012148
InterBioScreen	BB_SC-1915
Enamine	EN300-10420

Database	Data ID
PubChem	727559

M. W.

229.25448

CAS

34653-56-0

Similarity

N/A

ID: 14614

N-(5-amino-2-methoxyphenyl)-2-(pyrrolidin-1-yl)acetamide

$$$$ Data

M. F.

C13H19N3O2

Suppliers	Catalog Number
Matrix Scientific	012149

Database	Data ID
PubChem	1132695

M. W.

249.30886

CAS

Similarity

N/A

ID: 14615

N-(5-amino-2-methoxyphenyl)-2-(piperidin-1-yl)acetamide

$$$$ Data

M. F.

C14H21N3O2

Suppliers	Catalog Number
Matrix Scientific	012150

Database	Data ID
PubChem	858402

M. W.

263.33544

CAS

436090-50-5

Similarity

N/A

ID: 14616

N-(5-amino-2-methoxyphenyl)-2-(morpholin-4-yl)acetamide

$$$$ Data

M. F.

C13H19N3O3

Suppliers	Catalog Number
Matrix Scientific	012151

Database	Data ID
PubChem	858403

M. W.

265.30826

CAS

Similarity

N/A

ID: 14617

4-(aminomethyl)-2,5-dimethylfuran-3-carboxylic acid hydrochloride

$$$$ Data

M. F.

C8H12ClNO3

Suppliers	Catalog Number
Matrix Scientific	012152

Database	Data ID
PubChem	45074884

M. W.

205.63878

CAS

Similarity

N/A

ID: 14618

N-(4-amino-2-methylphenyl)-2-(pyrrolidin-1-yl)acetamide

$$$$ Data

M. F.

C13H19N3O

Suppliers	Catalog Number
Matrix Scientific	012153

Database	Data ID
PubChem	858296

M. W.

233.30946

CAS

933735-22-9

Similarity

N/A

ID: 14619

N-(4-amino-2-methylphenyl)-2-(4-methylpiperidin-1-yl)acetamide

$$$$ Data

M. F.

C15H23N3O

Suppliers	Catalog Number
Matrix Scientific	012154

Database	Data ID
PubChem	858297

M. W.

261.36262

CAS

436090-56-1

Similarity

N/A

ID: 14620

2-(4-methylpiperazin-1-yl)aniline

$$$$ Data More

M. F.

C11H17N3

Suppliers	Catalog Number
ChemBridge	4010388
Matrix Scientific	012155
Maybridge	CC36014

Database	Data ID
PubChem	286547

M. W.

191.27278

CAS

180605-36-1

Similarity

N/A

ID: 14621

2-[(4-methylpiperazin-1-yl)sulfonyl]aniline

$$$$ Data

M. F.

C11H17N3O2S

Suppliers	Catalog Number
Matrix Scientific	012156

Database	Data ID
PubChem	1132815

M. W.

255.33658

CAS

Similarity

N/A

ID: 14622

4-(3-methylpiperidine-1-carbonyl)aniline

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
ChemBridge	4029919
Matrix Scientific	012157

Database	Data ID
PubChem	3197647

M. W.

218.29482

CAS

79868-21-6

Similarity

N/A

ID: 14623

4-(4-methylpiperidine-1-carbonyl)aniline

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Matrix Scientific	012158
Enamine	EN300-52011

Database	Data ID
PubChem	1132825

M. W.

218.29482

CAS

79868-20-5

Similarity

N/A

ID: 14624

3-amino-N,N-diethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C10H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	012159
Enamine	EN300-02112
A&J Pharmtech	AJA-O34290

Database	Data ID
PubChem	2963515

M. W.

228.31124

CAS

10372-41-5

Similarity

N/A

ID: 14625

3-[(4-methylpiperazin-1-yl)sulfonyl]aniline

$$$$ Data

M. F.

C11H17N3O2S

Suppliers	Catalog Number
Matrix Scientific	012160
InterBioScreen	BB_SC-8362
Enamine	EN300-54409

Database	Data ID
PubChem	3197648

M. W.

255.33658

CAS

436095-35-1

Similarity

N/A

ID: 14626

3-amino-N-cyclopentylbenzene-1-sulfonamide

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	012161

Database	Data ID
PubChem	3197649

M. W.

240.32194

CAS

436095-38-4

Similarity

N/A

ID: 14627

3-amino-N-(pyridin-3-ylmethyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H13N3O2S

Suppliers	Catalog Number
Matrix Scientific	012162

Database	Data ID
PubChem	3197650

M. W.

263.31552

CAS

Similarity

N/A

ID: 14628

4-amino-N-(thiophen-2-ylmethyl)benzamide

$$$$ Data

M. F.

C12H12N2OS

Suppliers	Catalog Number
Matrix Scientific	012163

Database	Data ID
PubChem	1132839

M. W.

232.30148

CAS

436095-49-7

Similarity

N/A

ID: 14629

1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

$$$$ Data

M. F.

C6H9N3OS

Suppliers	Catalog Number
Matrix Scientific	012164
Maybridge	SEW04134
Enamine	EN300-15234

Database	Data ID
PubChem	653344

M. W.

171.22016

CAS

257862-97-8

Similarity

N/A

ID: 14630

1-amino-3-(4-methylphenoxy)propan-2-ol hydrochloride

$$$$ Data

M. F.

C10H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	012165

Database	Data ID
PubChem	2835838

M. W.

217.69254

CAS

Similarity

N/A

ID: 14631

1-amino-3-(2-methylphenoxy)propan-2-ol hydrate hydrochloride

$$$$ Data

M. F.

C10H18ClNO3

Suppliers	Catalog Number
Matrix Scientific	012166

Database	Data ID
PubChem	6603123

M. W.

235.70782

CAS

Similarity

N/A

ID: 14632

1-amino-3-(2,6-dimethylphenoxy)propan-2-ol hydrate hydrochloride

$$$$ Data

M. F.

C11H20ClNO3

Suppliers	Catalog Number
Matrix Scientific	012167

Database	Data ID
PubChem	6603143

M. W.

249.7344

CAS

Similarity

N/A

ID: 14633

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

$$$$ Data More

M. F.

C7H7N5

Suppliers	Catalog Number
Alfa Aesar	H27311
Matrix Scientific	012168
Enamine	EN300-63875

Database	Data ID
PubChem	1079216

M. W.

161.16398

CAS

46047-18-1

Similarity

N/A

ID: 14634

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)aceta...

$$$$ Data

M. F.

C13H13N7O2

Suppliers	Catalog Number
Matrix Scientific	012170

Database	Data ID
PubChem	858292

M. W.

299.28802

CAS

436092-90-9

Similarity

N/A

ID: 14635

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N,N-diethylacetamide

$$$$ Data

M. F.

C13H18N6O

Suppliers	Catalog Number
Matrix Scientific	012171

Database	Data ID
PubChem	1132848

M. W.

274.32162

CAS

436092-91-0

Similarity

N/A

ID: 14636

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-1-(piperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C14H18N6O

Suppliers	Catalog Number
Matrix Scientific	012172

Database	Data ID
PubChem	1132849

M. W.

286.33232

CAS

436092-93-2

Similarity

N/A

ID: 14637

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-1-(pyrrolidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C13H16N6O

Suppliers	Catalog Number
Matrix Scientific	012173

Database	Data ID
PubChem	1132851

M. W.

272.30574

CAS

436092-94-3

Similarity

N/A

ID: 14638

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-tert-butylacetamide

$$$$ Data

M. F.

C13H18N6O

Suppliers	Catalog Number
Matrix Scientific	012174

Database	Data ID
PubChem	1132852

M. W.

274.32162

CAS

436092-97-6

Similarity

N/A

ID: 14639

2-[5-(4-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]-N-cyclopentylacetamide

$$$$ Data

M. F.

C14H18N6O

Suppliers	Catalog Number
Matrix Scientific	012175

Database	Data ID
PubChem	858291

M. W.

286.33232

CAS

436092-98-7

Similarity

N/A

ID: 14640

4-(4-methylpiperidin-1-yl)benzoic acid

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Matrix Scientific	012176
Enamine	EN300-92518

Database	Data ID
PubChem	654809

M. W.

219.27958

CAS

Similarity

N/A

ID: 14641

1-(3-aminopropoxy)-2-methylbenzene

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Matrix Scientific	012177
Enamine	EN300-70020

Database	Data ID
PubChem	3152106

M. W.

165.2322

CAS

50911-61-0

Similarity

N/A

ID: 14642

1-(3-aminopropoxy)-4-methylbenzene

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Matrix Scientific	012178
Enamine	EN300-59452

Database	Data ID
PubChem	3152107

M. W.

165.2322

CAS

50911-62-1

Similarity

N/A

ID: 14643

1-(3-aminopropoxy)-2-methoxybenzene

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Matrix Scientific	012179
Enamine	EN300-69499

Database	Data ID
PubChem	3152108

M. W.

181.2316

CAS

3245-88-3

Similarity

N/A

ID: 14644

1-(3-aminopropoxy)-4-methoxybenzene

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Matrix Scientific	012180
Enamine	EN300-54271

Database	Data ID
PubChem	3152109

M. W.

181.2316

CAS

100841-00-7

Similarity

N/A

ID: 14645

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

$$$$ Data

M. F.

C10H10ClNO3

Suppliers	Catalog Number
Matrix Scientific	012181
Key Organics	JS-030C
Apollo Scientific	OR13149

Database	Data ID
PubChem	3152116

M. W.

227.6443

CAS

42477-07-6

Similarity

N/A

ID: 14646

2-amino-[1,3]thiazolo[4,5-f]quinoxaline-7,8-diol

$$$$ Data

M. F.

C9H6N4O2S

Suppliers	Catalog Number
Matrix Scientific	012182

Database	Data ID
PubChem	1079347

M. W.

234.23454

CAS

Similarity

N/A

ID: 14647

2-[5-(2-aminophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

$$$$ Data

M. F.

C9H10N6O

Suppliers	Catalog Number
Matrix Scientific	012183
InterBioScreen	BB_SC-8854

Database	Data ID
PubChem	858172

M. W.

218.2153

CAS

Similarity

N/A

ID: 14648

N-[4-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide

$$$$ Data

M. F.

C9H9N3O3S2

Suppliers	Catalog Number
Matrix Scientific	012184

Database	Data ID
PubChem	1132853

M. W.

271.31606

CAS

Similarity

N/A

ID: 14649

N-[3-(methylamino)propyl]pyridine-2-carboxamide

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
Matrix Scientific	012185

Database	Data ID
PubChem	1845802

M. W.

193.2456

CAS

Similarity

N/A

ID: 14650

(2Z)-3-chlorobut-2-en-1-amine hydrochloride

$$$$ Data

M. F.

C4H9Cl2N

Suppliers	Catalog Number
Matrix Scientific	012186

Database	Data ID
PubChem	44890758

M. W.

142.02696

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