Chembase list of 866358 unique molecular structures

4-phenyl-3-(pyridin-3-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C14H12N4

Suppliers	Catalog Number
Matrix Scientific	030667

Database	Data ID
PubChem	17606075

M. W.

236.27188

CAS

Similarity

N/A

ID: 28102

5-(chloromethyl)-2-(methoxymethyl)-3-(4-methoxyphenyl)-4H,7H-pyrazolo[1,5-a]pyri...

$$$$ Data

M. F.

C16H16ClN3O3

Suppliers	Catalog Number
Matrix Scientific	030668

Database	Data ID
PubChem	16766291

M. W.

333.76954

CAS

Similarity

N/A

ID: 28103

5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

$$$$ Data More

M. F.

C6H7N5

Suppliers	Catalog Number
ChemBridge	6089826
Matrix Scientific	030669
Life Chemicals	F2150-0042

Database	Data ID
PubChem	169505

M. W.

149.15328

CAS

33376-96-4

Similarity

N/A

ID: 28104

7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C14H12N4O2

Suppliers	Catalog Number
Matrix Scientific	030670

Database	Data ID
PubChem	28307618

M. W.

268.27068

CAS

Similarity

N/A

ID: 28105

5-(aminomethyl)-2-methyl-3-phenyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one

$$$$ Data

M. F.

C14H14N4O

Suppliers	Catalog Number
Matrix Scientific	030671

Database	Data ID
PubChem	28307620

M. W.

254.28716

CAS

Similarity

N/A

ID: 28106

5-amino-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C4H5N3O3

Suppliers	Catalog Number
Matrix Scientific	030672

Database	Data ID
PubChem	28307622

M. W.

143.1008

CAS

Similarity

N/A

ID: 28107

1-[4-hydroxy-2-(trifluoromethyl)pyridin-3-yl]ethan-1-one

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	030674

Database	Data ID
PubChem	639503

M. W.

205.1339496

CAS

Similarity

N/A

ID: 28108

4-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H4F3NO3

Suppliers	Catalog Number
Matrix Scientific	030675

Database	Data ID
PubChem	19854224

M. W.

207.1067696

CAS

Similarity

N/A

ID: 28109

tert-butyl 3-(2-phenylacetyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C18H25NO3

Suppliers	Catalog Number
Matrix Scientific	030676

Database	Data ID
PubChem	46736083

M. W.

303.396

CAS

Similarity

N/A

ID: 28110

2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-3-yls...

$$$$ Data

M. F.

C10H7N3O2S2

Suppliers	Catalog Number
Matrix Scientific	030677
Life Chemicals	F0307-0305

Database	Data ID
PubChem	2063836

M. W.

265.31148

CAS

114722-63-3

Similarity

N/A

ID: 28111

2-methylbutanoic acid; 6-methyl-1H-1,3-benzodiazole-2-thiol

$$$$ Data

M. F.

C13H18N2O2S

Suppliers	Catalog Number
Matrix Scientific	030678

Database	Data ID
PubChem	2772421

M. W.

266.35922

CAS

Similarity

N/A

ID: 28112

2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-3-yls...

$$$$ Data

M. F.

C12H11N3O2S2

Suppliers	Catalog Number
Matrix Scientific	030679

Database	Data ID
PubChem	2772427

M. W.

293.36464

CAS

Similarity

N/A

ID: 28113

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C17H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	030680

Database	Data ID
PubChem	738801

M. W.

310.37026

CAS

Similarity

N/A

ID: 28114

2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C18H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	030681

Database	Data ID
PubChem	2825031

M. W.

324.39684

CAS

Similarity

N/A

ID: 28115

3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C18H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	030682

Database	Data ID
PubChem	882774

M. W.

324.39684

CAS

Similarity

N/A

ID: 28116

2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C6H8N4O2S

Suppliers	Catalog Number
ChemBridge	6549621
Matrix Scientific	030683
InterBioScreen	BB_SC-1465

Database	Data ID
PubChem	241013

M. W.

200.21832

CAS

6638-40-0

Similarity

N/A

ID: 28117

2-[2-(benzylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetic acid

$$$$ Data

M. F.

C16H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	030684

Database	Data ID
PubChem	810847

M. W.

298.35956

CAS

Similarity

N/A

ID: 28118

2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-3-yls...

$$$$ Data

M. F.

C11H9N3O2S2

Suppliers	Catalog Number
Matrix Scientific	030685

Database	Data ID
PubChem	2772437

M. W.

279.33806

CAS

Similarity

N/A

ID: 28119

2-[(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C11H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	030687

Database	Data ID
PubChem	251475

M. W.

236.29018

CAS

7150-54-1

Similarity

N/A

ID: 28120

2-({7-ethyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen...

$$$$ Data

M. F.

C13H14N4O2S

Suppliers	Catalog Number
Matrix Scientific	030688

Database	Data ID
PubChem	2772452

M. W.

290.34086

CAS

Similarity

N/A

ID: 28121

2-{[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C12H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	030689

Database	Data ID
PubChem	2744224

M. W.

250.31676

CAS

Similarity

N/A

ID: 28122

2-(quinazolin-4-ylsulfanyl)propanoic acid

$$$$ Data

M. F.

C11H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	030690

Database	Data ID
PubChem	2772457

M. W.

234.2743

CAS

Similarity

N/A

ID: 28123

2-[(6-amino-3-benzyl-3H-purin-8-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C14H13N5O2S

Suppliers	Catalog Number
Matrix Scientific	030691

Database	Data ID
PubChem	971244

M. W.

315.35032

CAS

Similarity

N/A

ID: 28124

2-{[7-(2-phenoxyethyl)-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8...

$$$$ Data

M. F.

C18H16N4O3S

Suppliers	Catalog Number
Matrix Scientific	030692

Database	Data ID
PubChem	2772484

M. W.

368.40964

CAS

Similarity

N/A

ID: 28125

2-[(6-amino-9-benzyl-9H-purin-8-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C14H13N5O2S

Suppliers	Catalog Number
Matrix Scientific	030693

Database	Data ID
PubChem	2772491

M. W.

315.35032

CAS

Similarity

N/A

ID: 28126

3-[(6-amino-9-benzyl-9H-purin-8-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C15H15N5O2S

Suppliers	Catalog Number
Matrix Scientific	030694

Database	Data ID
PubChem	1491976

M. W.

329.3769

CAS

Similarity

N/A

ID: 28127

2-{[6-amino-9-(2-phenoxyethyl)-9H-purin-8-yl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C16H17N5O3S

Suppliers	Catalog Number
Matrix Scientific	030695

Database	Data ID
PubChem	2772493

M. W.

359.40288

CAS

Similarity

N/A

ID: 28128

2-[(6-amino-9-benzyl-9H-purin-8-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C15H15N5O2S

Suppliers	Catalog Number
Matrix Scientific	030696

Database	Data ID
PubChem	2772501

M. W.

329.3769

CAS

Similarity

N/A

ID: 28129

2-{[1-(carboxymethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C11H10N2O4S

Suppliers	Catalog Number
Matrix Scientific	030697

Database	Data ID
PubChem	2772522

M. W.

266.2731

CAS

Similarity

N/A

ID: 28130

3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid

$$$$ Data

M. F.

C10H9NO2S2

Suppliers	Catalog Number
Matrix Scientific	030698

Database	Data ID
PubChem	224561

M. W.

239.31396

CAS

Similarity

N/A

ID: 28131

3-[(1-benzyl-1H-1,3-benzodiazol-2-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C17H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	030699

Database	Data ID
PubChem	776881

M. W.

312.38614

CAS

Similarity

N/A

ID: 28132

2-(2-{4-[1-(carboxymethyl)-1H-1,3-benzodiazol-2-yl]butyl}-1H-1,3-benzodiazol-1-y...

$$$$ Data

M. F.

C22H22N4O4

Suppliers	Catalog Number
Matrix Scientific	030700

Database	Data ID
PubChem	2772535

M. W.

406.43448

CAS

445416-61-5

Similarity

N/A

ID: 28133

3-({7-methyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentae...

$$$$ Data

M. F.

C12H12N4O2S

Suppliers	Catalog Number
Matrix Scientific	030701

Database	Data ID
PubChem	2772537

M. W.

276.31428

CAS

Similarity

N/A

ID: 28134

2-({7-methyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentae...

$$$$ Data

M. F.

C12H12N4O2S

Suppliers	Catalog Number
Matrix Scientific	030702

Database	Data ID
PubChem	2772538

M. W.

276.31428

CAS

Similarity

N/A

ID: 28135

2-({7-methyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentae...

$$$$ Data

M. F.

C11H10N4O2S

Suppliers	Catalog Number
Matrix Scientific	030703

Database	Data ID
PubChem	712642

M. W.

262.2877

CAS

Similarity

N/A

ID: 28136

2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C10H10N4O2S

Suppliers	Catalog Number
Matrix Scientific	030704
Enamine	EN300-111069

Database	Data ID
PubChem	975451

M. W.

250.277

CAS

Similarity

N/A

ID: 28137

2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C10H10N4O2S

Suppliers	Catalog Number
Matrix Scientific	030705

Database	Data ID
PubChem	2772552

M. W.

250.277

CAS

Similarity

N/A

ID: 28138

3-{[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C13H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	030706

Database	Data ID
PubChem	2772564

M. W.

264.34334

CAS

Similarity

N/A

ID: 28139

2-[2-(2-methylpropyl)-1H-1,3-benzodiazol-1-yl]acetic acid

$$$$ Data

M. F.

C13H16N2O2

Suppliers	Catalog Number
Matrix Scientific	030707
InterBioScreen	BB_SC-10535

Database	Data ID
PubChem	1266499

M. W.

232.27834

CAS

Similarity

N/A

ID: 28140

3-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C18H18N2O3S

Suppliers	Catalog Number
Matrix Scientific	030708

Database	Data ID
PubChem	794607

M. W.

342.41212

CAS

Similarity

N/A

ID: 28141

3-(carboxymethyl)-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C11H9NO4

Suppliers	Catalog Number
Matrix Scientific	030709

Database	Data ID
PubChem	672547

M. W.

219.19346

CAS

Similarity

N/A

ID: 28142

2-({7-phenyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentae...

$$$$ Data

M. F.

C16H12N4O2S

Suppliers	Catalog Number
Matrix Scientific	030710

Database	Data ID
PubChem	2772582

M. W.

324.35708

CAS

Similarity

N/A

ID: 28143

3-(carboxymethyl)-1H-indole-2,5-dicarboxylic acid

$$$$ Data

M. F.

C12H9NO6

Suppliers	Catalog Number
Matrix Scientific	030711

Database	Data ID
PubChem	1512459

M. W.

263.20296

CAS

Similarity

N/A

ID: 28144

2-({7-benzyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentae...

$$$$ Data

M. F.

C17H14N4O2S

Suppliers	Catalog Number
Matrix Scientific	030712

Database	Data ID
PubChem	1457716

M. W.

338.38366

CAS

Similarity

N/A

ID: 28145

3-(quinazolin-4-ylsulfanyl)propanoic acid

$$$$ Data

M. F.

C11H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	030713

Database	Data ID
PubChem	723893

M. W.

234.2743

CAS

Similarity

N/A

ID: 28146

2-({4-[(carboxymethyl)sulfanyl]quinazolin-2-yl}sulfanyl)acetic acid

$$$$ Data

M. F.

C12H10N2O4S2

Suppliers	Catalog Number
Matrix Scientific	030714

Database	Data ID
PubChem	2772600

M. W.

310.3488

CAS

Similarity

N/A

ID: 28147

2-{[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C17H16N2O3S

Suppliers	Catalog Number
Matrix Scientific	030715

Database	Data ID
PubChem	803003

M. W.

328.38554

CAS

Similarity

N/A

ID: 28148

2-{2-[(2-phenoxyethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid

$$$$ Data

M. F.

C17H16N2O3S

Suppliers	Catalog Number
Matrix Scientific	030716

Database	Data ID
PubChem	2772705

M. W.

328.38554

CAS

Similarity

N/A

ID: 28149

2-[2-(cyclohexylsulfanyl)-1H-1,3-benzodiazol-1-yl]acetic acid

$$$$ Data

M. F.

C15H18N2O2S

Suppliers	Catalog Number
ChemBridge	6945193
Matrix Scientific	030717

Database	Data ID
PubChem	793004

M. W.

290.38062

CAS

331964-12-6

Similarity

N/A

ID: 28150

9-benzyl-9H-purin-6-amine

$$$$ Data

M. F.

C12H11N5

Suppliers	Catalog Number
Matrix Scientific	030718
TRC	B224450

Database	Data ID
PubChem	20262

M. W.

225.24924

CAS

4261-14-7

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