Chembase list of 866358 unique molecular structures

ethyl [(2,4-dichlorophenyl)carbamoyl]formate

$$$$ Data

M. F.

C10H9Cl2NO3

Suppliers	Catalog Number
Apollo Scientific	OR25009

Database	Data ID
PubChem	347452

M. W.

262.08936

CAS

Similarity

N/A

ID: 82302

trimethyl(2-oxoethyl)azanium chloride

$$$$ Data

M. F.

C5H12ClNO

Suppliers	Catalog Number
Sigma Aldrich	B3650
Apollo Scientific	OR2501
TRC	B325000

Database	Data ID
PubChem	2735510

M. W.

137.60788

CAS

7758-31-8

Similarity

N/A

ID: 82303

3-(4-methylphenyl)-1-(pentamethylphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C21H24O

Suppliers	Catalog Number
Apollo Scientific	OR25010

Database	Data ID
PubChem	5708946

M. W.

292.41466

CAS

Similarity

N/A

ID: 82304

ethyl {[3-(methylsulfanyl)phenyl]carbamoyl}formate

$$$$ Data

M. F.

C11H13NO3S

Suppliers	Catalog Number
Apollo Scientific	OR25012

Database	Data ID
PubChem	2778350

M. W.

239.29082

CAS

Similarity

N/A

ID: 82305

ethyl 6-(bromomethyl)-4-(2-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-ca...

$$$$ Data

M. F.

C14H14BrClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR25013

Database	Data ID
PubChem	2778352

M. W.

373.62956

CAS

Similarity

N/A

ID: 82306

1-[2-(benzenesulfonyl)ethyl]pyrrolidine

$$$$ Data

M. F.

C12H17NO2S

Suppliers	Catalog Number
Apollo Scientific	OR25014

Database	Data ID
PubChem	2778353

M. W.

239.33388

CAS

Similarity

N/A

ID: 82307

2-chloro-N-(1,3-dimethyl-1H-pyrazol-5-yl)acetamide

$$$$ Data

M. F.

C7H10ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR25015
Enamine	EN300-24686

Database	Data ID
PubChem	2778354

M. W.

187.6268

CAS

Similarity

N/A

ID: 82308

[(3-cyanophenyl)methyl]triphenylphosphanium bromide

$$$$ Data

M. F.

C26H21BrNP

Suppliers	Catalog Number
Apollo Scientific	OR25016

Database	Data ID
PubChem	2778355

M. W.

458.329401

CAS

Similarity

N/A

ID: 82309

N-(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)-2-chloroacetamide

$$$$ Data

M. F.

C7H9BrClN3O

Suppliers	Catalog Number
Apollo Scientific	OR25018

Database	Data ID
PubChem	2778358

M. W.

266.52286

CAS

Similarity

N/A

ID: 82310

N-(3-methyl-1,2-oxazol-5-yl)acetamide

$$$$ Data

M. F.

C6H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR25019

Database	Data ID
PubChem	289987

M. W.

140.13992

CAS

Similarity

N/A

ID: 82311

2-chloro-N-(3-methyl-1,2-oxazol-5-yl)acetamide

$$$$ Data

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR25020
Enamine	EN300-24698

Database	Data ID
PubChem	2778360

M. W.

174.58498

CAS

69000-39-1

Similarity

N/A

ID: 82312

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-chloroacetamide

$$$$ Data

M. F.

C6H6BrClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR25021

Database	Data ID
PubChem	2778362

M. W.

253.48104

CAS

Similarity

N/A

ID: 82313

ethyl 1-tert-butyl-4,5-dioxopyrrolidine-3-carboxylate

$$$$ Data

M. F.

C11H17NO4

Suppliers	Catalog Number
Apollo Scientific	OR25022

Database	Data ID
PubChem	219269

M. W.

227.25698

CAS

5336-48-1

Similarity

N/A

ID: 82314

1-(2-chloroethanesulfonyl)-4-methylbenzene

$$$$ Data

M. F.

C9H11ClO2S

Suppliers	Catalog Number
Alfa Aesar	L05256
Apollo Scientific	OR25023

Database	Data ID
PubChem	188162

M. W.

218.70044

CAS

22381-53-9

Similarity

N/A

ID: 82315

1,3-diphenyl-1H-pyrazole-5-diazonium chloride

$$$$ Data

M. F.

C15H11ClN4

Suppliers	Catalog Number
Apollo Scientific	OR25024

Database	Data ID
PubChem	2778365

M. W.

282.72764

CAS

Similarity

N/A

ID: 82316

2-chloro-N-(4-chloro-3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide

$$$$ Data

M. F.

C12H11Cl2N3O

Suppliers	Catalog Number
Apollo Scientific	OR25025

Database	Data ID
PubChem	2778367

M. W.

284.14124

CAS

Similarity

N/A

ID: 82317

2-methylquinoline-3,4-dicarboxylic acid

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
Apollo Scientific	OR25027

Database	Data ID
PubChem	686387

M. W.

231.20416

CAS

88344-65-4

Similarity

N/A

ID: 82318

4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione

$$$$ Data

M. F.

C12H8N2O2

Suppliers	Catalog Number
Maybridge	KM00253
Apollo Scientific	OR25028

Database	Data ID
PubChem	611339

M. W.

212.20412

CAS

27295-64-3

Similarity

N/A

ID: 82319

2-chloro-N-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)acetamide

$$$$ Data

M. F.

C14H14ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR25029
Enamine	EN300-29695

Database	Data ID
PubChem	2778369

M. W.

275.73346

CAS

649701-41-7

Similarity

N/A

ID: 82320

N-(2-ethylhexyl)-1-3-(6-{N-[3-(2-ethylhexyl)carbamimidamidomethanimidoyl]amino}h...

$$$$ Data

M. F.

C26H58Cl2N10

Suppliers	Catalog Number
Selleck Chemicals	S4302
Sigma Aldrich	A8986
Apollo Scientific	OR2503

Database	Data ID
PubChem	102678

M. W.

581.71172

CAS

22573-93-9

Similarity

N/A

ID: 82321

N-[1-(pyridin-2-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Alfa Aesar	H52232
Apollo Scientific	OR25030

Database	Data ID
PubChem	5367286

M. W.

136.15122

CAS

1758-54-9

Similarity

N/A

ID: 82322

N-(4-bromo-3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)-2-chloroacetamide

$$$$ Data

M. F.

C14H13BrClN3O

Suppliers	Catalog Number
Apollo Scientific	OR25033

Database	Data ID
PubChem	2778371

M. W.

354.62952

CAS

Similarity

N/A

ID: 82323

N-[1-(thiophen-2-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C6H7NOS

Suppliers	Catalog Number
Apollo Scientific	OR25034

Database	Data ID
PubChem	5324551

M. W.

141.19088

CAS

Similarity

N/A

ID: 82324

2-chloro-N-(3-methyl-4-nitro-1,2-oxazol-5-yl)acetamide

$$$$ Data

M. F.

C6H6ClN3O4

Suppliers	Catalog Number
Apollo Scientific	OR25036

Database	Data ID
PubChem	2778373

M. W.

219.58254

CAS

Similarity

N/A

ID: 82325

2-[(4-chlorophenyl)sulfanyl]acetonitrile

$$$$ Data

M. F.

C8H6ClNS

Suppliers	Catalog Number
Alfa Aesar	A12319
Apollo Scientific	OR25038

Database	Data ID
PubChem	2778374

M. W.

183.65794

CAS

18527-19-0

Similarity

N/A

ID: 82326

3-amino-2-methylquinoline-4-carboxylic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Maybridge	KM00428
Apollo Scientific	OR25039

Database	Data ID
PubChem	2778375

M. W.

202.2093

CAS

71881-80-6

Similarity

N/A

ID: 82327

methyl 4-methoxythiophene-3-carboxylate

$$$$ Data More

M. F.

C7H8O3S

Suppliers	Catalog Number
Maybridge	KM00444
Apollo Scientific	OR25040
Bide Pharmatech	BD5023

Database	Data ID
PubChem	2778377

M. W.

172.20162

CAS

65369-22-4

Similarity

N/A

ID: 82328

2-(4-chlorobenzenesulfonyl)-3-ethoxyprop-2-enenitrile

$$$$ Data

M. F.

C11H10ClNO3S

Suppliers	Catalog Number
Maybridge	KM00449
Apollo Scientific	OR25042

Database	Data ID
PubChem	1810869

M. W.

271.72

CAS

32083-27-5

Similarity

N/A

ID: 82329

5-chloro-4-methoxythiophene-3-carboxylic acid

$$$$ Data

M. F.

C6H5ClO3S

Suppliers	Catalog Number
Maybridge	KM00452
Apollo Scientific	OR25043

Database	Data ID
PubChem	2778382

M. W.

192.6201

CAS

133659-14-0

Similarity

N/A

ID: 82330

5-chloro-4-methoxythiophene-3-carbonyl chloride

$$$$ Data

M. F.

C6H4Cl2O2S

Suppliers	Catalog Number
Apollo Scientific	OR25044

Database	Data ID
PubChem	2778384

M. W.

211.06576

CAS

175137-49-2

Similarity

N/A

ID: 82331

2-(benzenesulfonyl)-3-ethoxyprop-2-enenitrile

$$$$ Data

M. F.

C11H11NO3S

Suppliers	Catalog Number
Apollo Scientific	OR25045

Database	Data ID
PubChem	2778385

M. W.

237.27494

CAS

32083-50-4

Similarity

N/A

ID: 82332

N-[3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]-2-chloroacetamide

$$$$ Data

M. F.

C15H18ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR25046

Database	Data ID
PubChem	2778387

M. W.

291.77592

CAS

Similarity

N/A

ID: 82333

2-(4-chlorobenzenesulfonyl)-3-(thiophen-2-yl)prop-2-enenitrile

$$$$ Data

M. F.

C13H8ClNO2S2

Suppliers	Catalog Number
Apollo Scientific	OR25048

Database	Data ID
PubChem	1669244

M. W.

309.79112

CAS

Similarity

N/A

ID: 82334

N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chloroacetamide

$$$$ Data

M. F.

C15H17BrClN3O

Suppliers	Catalog Number
Apollo Scientific	OR25049

Database	Data ID
PubChem	2778390

M. W.

370.67198

CAS

Similarity

N/A

ID: 82335

1-methyl-5-(pyridin-2-yl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Apollo Scientific	OR2505
TRC	C725050

Database	Data ID
PubChem	1227

M. W.

176.21508

CAS

147732-31-8

Similarity

N/A

ID: 82336

2-bromo-N-[4-bromo-3-(4-tert-butylphenyl)-1H-pyrazol-5-yl]acetamide

$$$$ Data

M. F.

C15H17Br2N3O

Suppliers	Catalog Number
Apollo Scientific	OR25050

Database	Data ID
PubChem	2778391

M. W.

415.12298

CAS

Similarity

N/A

ID: 82337

(methylsulfanyl)methanimidamide hydroiodide

$$$$ Data

M. F.

C2H7IN2S

Suppliers	Catalog Number
Maybridge	KM00619
Apollo Scientific	OR25052

Database	Data ID
PubChem	197812

M. W.

218.05985

CAS

4338-95-8

Similarity

N/A

ID: 82338

5-bromo-4-methoxythiophene-3-carbonyl chloride

$$$$ Data

M. F.

C6H4BrClO2S

Suppliers	Catalog Number
Apollo Scientific	OR25053

Database	Data ID
PubChem	2778394

M. W.

255.51676

CAS

162848-22-8

Similarity

N/A

ID: 82339

morpholine-4-carboximidamide hydroiodide

$$$$ Data

M. F.

C5H12IN3O

Suppliers	Catalog Number
Alfa Aesar	H33215
Maybridge	KM00640
Apollo Scientific	OR25054

Database	Data ID
PubChem	2778396

M. W.

257.07275

CAS

102392-87-0

Similarity

N/A

ID: 82340

piperidine-1-carboximidamide hydroiodide

$$$$ Data

M. F.

C6H14IN3

Suppliers	Catalog Number
Maybridge	KM00642
Apollo Scientific	OR25055

Database	Data ID
PubChem	2778397

M. W.

255.09993

CAS

102392-91-6

Similarity

N/A

ID: 82341

3-{3-[(4-chlorobenzenesulfonyl)methyl]phenyl}-5-(trichloromethyl)-1,2,4-oxadiazo...

$$$$ Data

M. F.

C16H10Cl4N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR25056

Database	Data ID
PubChem	2778399

M. W.

452.1392

CAS

Similarity

N/A

ID: 82342

3-{3-[(4-chlorobenzenesulfonyl)methyl]phenyl}-5-(dichloromethyl)-1,2,4-oxadiazol...

$$$$ Data

M. F.

C16H11Cl3N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR25057

Database	Data ID
PubChem	2778401

M. W.

417.69414

CAS

Similarity

N/A

ID: 82343

2-chloro-N-[4-(1,3-dithiolan-2-yl)phenyl]acetamide

$$$$ Data

M. F.

C11H12ClNOS2

Suppliers	Catalog Number
Apollo Scientific	OR25058

Database	Data ID
PubChem	2778402

M. W.

273.80208

CAS

Similarity

N/A

ID: 82344

4-(1,3-dithiolan-2-yl)aniline

$$$$ Data

M. F.

C9H11NS2

Suppliers	Catalog Number
Apollo Scientific	OR25060
Enamine	EN300-12901

Database	Data ID
PubChem	2778405

M. W.

197.32034

CAS

94838-73-0

Similarity

N/A

ID: 82345

ethyl 1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl ethoxy(sulfanylidene)phosph...

$$$$ Data

M. F.

C13H20N3O3PS

Suppliers	Catalog Number
Apollo Scientific	OR25061

Database	Data ID
PubChem	600970

M. W.

329.354961

CAS

Similarity

N/A

ID: 82346

ethyl 4-(methoxymethyl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl ethoxy(sulfa...

$$$$ Data

M. F.

C14H22N3O4PS

Suppliers	Catalog Number
Apollo Scientific	OR25062

Database	Data ID
PubChem	2778407

M. W.

359.380941

CAS

Similarity

N/A

ID: 82347

2-(2-chloroethyl)-3-hydroxy-3,4-dihydro-2H-1,3-benzoxazin-4-one

$$$$ Data

M. F.

C10H10ClNO3

Suppliers	Catalog Number
Maybridge	KM00883
Apollo Scientific	OR25063

Database	Data ID
PubChem	2778408

M. W.

227.6443

CAS

25206-44-4

Similarity

N/A

ID: 82348

2-(2-chloroethyl)-4-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl N-phenylcarbamate

$$$$ Data

M. F.

C17H15ClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR25064

Database	Data ID
PubChem	2778409

M. W.

346.765

CAS

Similarity

N/A

ID: 82349

2-(2-chloroethyl)-4-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl N-(4-chlorophenyl)car...

$$$$ Data

M. F.

C17H14Cl2N2O4

Suppliers	Catalog Number
Apollo Scientific	OR25065

Database	Data ID
PubChem	2778410

M. W.

381.21006

CAS

Similarity

N/A

ID: 82350

2-(2-chloroethyl)-4-oxo-3,4-dihydro-2H-1,3-benzoxazin-3-yl N-(propan-2-yl)carbam...

$$$$ Data

M. F.

C14H17ClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR25066

Database	Data ID
PubChem	2778412

M. W.

312.74878

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