Chembase list of 866358 unique molecular structures

4,6-dibromo-2,2-difluoro-2H-1,3-benzodioxol-5-amine

$$$$ Data

M. F.

C7H3Br2F2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD229342

Database	Data ID
PubChem	53216227

M. W.

330.9090264

CAS

1037763-48-6

Similarity

N/A

ID: 290402

2,6-dibromo-4-methylpyridin-3-amine

$$$$ Data

M. F.

C6H6Br2N2

Suppliers	Catalog Number
Bide Pharmatech	BD229343

Database	Data ID
PubChem	14418048

M. W.

265.93324

CAS

126354-83-4

Similarity

N/A

ID: 290403

(5-amino-2,3-difluorophenyl)boronic acid

$$$$ Data

M. F.

C6H6BF2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD229346

Database	Data ID
PubChem	46739415

M. W.

172.9251464

CAS

1150114-58-1

Similarity

N/A

ID: 290404

5-(2,3-difluorophenyl)pyridin-2-amine

$$$$ Data

M. F.

C11H8F2N2

Suppliers	Catalog Number
ChemBridge	4031111
Bide Pharmatech	BD229347

Database	Data ID
PubChem	29893131

M. W.

206.1914264

CAS

875166-91-9

Similarity

N/A

ID: 290405

2,6-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

$$$$ Data

M. F.

C14H22BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD229348

Database	Data ID
PubChem	56737724

M. W.

247.14098

CAS

1004761-68-5

Similarity

N/A

ID: 290406

{1-[(tert-butoxy)carbonyl]-5-(methoxycarbonyl)-1H-pyrrol-2-yl}boronic acid

$$$$ Data

M. F.

C11H16BNO6

Suppliers	Catalog Number
Bide Pharmatech	BD229349

Database	Data ID
PubChem	46739319

M. W.

269.05884

CAS

1150114-43-4

Similarity

N/A

ID: 290407

(4-bromo-5-chlorothiophen-2-yl)boronic acid

$$$$ Data

M. F.

C4H3BBrClO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229352

Database	Data ID
PubChem	46739520

M. W.

241.29842

CAS

1150114-72-9

Similarity

N/A

ID: 290408

5-bromo-1-[(4-methoxyphenyl)methyl]-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C13H12BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD229354

Database	Data ID
PubChem	46739399

M. W.

310.14328

CAS

1133116-25-2

Similarity

N/A

ID: 290409

2-(6-bromonaphthalen-2-yl)-5-propyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C15H13BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD229356

Database	Data ID
PubChem	46739358

M. W.

317.18052

CAS

1133116-07-0

Similarity

N/A

ID: 290410

tert-butyl (2S)-2-amino-5-carbamimidamidopentanoate dihydrochloride

$$$$ Data

M. F.

C10H24Cl2N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD22936

Database	Data ID
PubChem	66575041

M. W.

303.22916

CAS

87459-72-1

Similarity

N/A

ID: 290411

3-(2-bromoacetyl)-5-chlorothiophene-2-sulfonamide

$$$$ Data

M. F.

C6H5BrClNO3S2

Suppliers	Catalog Number
Bide Pharmatech	BD229360
A&J Pharmtech	AJA-O21618

Database	Data ID
PubChem	9808822

M. W.

318.5958

CAS

160982-11-6

Similarity

N/A

ID: 290412

2-(6-bromo-1H-indazol-3-yl)acetic acid

$$$$ Data

M. F.

C9H7BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229364
A&J Pharmtech	AJA-O20778

Database	Data ID
PubChem	54759242

M. W.

255.06808

CAS

944904-66-9

Similarity

N/A

ID: 290413

benzyl N-(pyrrolidin-3-yl)carbamate hydrochloride

$$$$ Data

M. F.

C12H17ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229365

Database	Data ID
PubChem	23024309

M. W.

256.72858

CAS

553672-38-1

Similarity

N/A

ID: 290414

2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD229367
A&J Pharmtech	AJA-O33205

Database	Data ID
PubChem	140814

M. W.

146.1891

CAS

21211-65-4

Similarity

N/A

ID: 290415

ethyl 4-chloro-6,8-difluoroquinoline-3-carboxylate

$$$$ Data

M. F.

C12H8ClF2NO2

Suppliers	Catalog Number
Alfa Aesar	H50503
Bide Pharmatech	BD229369

Database	Data ID
PubChem	1479089

M. W.

271.6472264

CAS

150258-20-1

Similarity

N/A

ID: 290416

(2,2-dibromoethenyl)benzene

$$$$ Data

M. F.

C8H6Br2

Suppliers	Catalog Number
Bide Pharmatech	BD229370

Database	Data ID
PubChem	161726

M. W.

261.94124

CAS

7436-90-0

Similarity

N/A

ID: 290417

(2S)-2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid

$$$$ Data

M. F.

C16H16O4

Suppliers	Catalog Number
Bide Pharmatech	BD229371

Database	Data ID
PubChem	15380898

M. W.

272.29584

CAS

178306-52-0

Similarity

N/A

ID: 290418

2-[4-(carboxymethyl)phenoxymethyl]benzoic acid

$$$$ Data

M. F.

C16H14O5

Suppliers	Catalog Number
Bide Pharmatech	BD229373

Database	Data ID
PubChem	12292309

M. W.

286.27936

CAS

55453-89-9

Similarity

N/A

ID: 290419

5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-2H,4H,5H,6H,7H,7aH-thieno[3,2-c]...

$$$$ Data

M. F.

C18H18FNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229374

Database	Data ID
PubChem	11416277

M. W.

331.4044232

CAS

150322-38-6

Similarity

N/A

ID: 290420

ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C14H12N2O3S

Suppliers	Catalog Number
Bide Pharmatech	BD229375

Database	Data ID
PubChem	71304245

M. W.

288.32168

CAS

161798-02-3

Similarity

N/A

ID: 290421

methyl 3-amino-2-(aminomethyl)propanoate

$$$$ Data

M. F.

C5H12N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229377

Database	Data ID
PubChem	22251386

M. W.

132.16098

CAS

159029-33-1

Similarity

N/A

ID: 290422

3-fluoro-4-methoxypyridine

$$$$ Data

M. F.

C6H6FNO

Suppliers	Catalog Number
Bide Pharmatech	BD229378
A&J Pharmtech	AJA-O36887

Database	Data ID
PubChem	57336639

M. W.

127.1163432

CAS

1060805-03-9

Similarity

N/A

ID: 290423

2-amino-5-chloro-N,3-dimethylbenzamide

$$$$ Data

M. F.

C9H11ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD229379

Database	Data ID
PubChem	25068251

M. W.

198.64944

CAS

890707-28-5

Similarity

N/A

ID: 290424

3-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1H-indole

$$$$ Data

M. F.

C16H19NO

Suppliers	Catalog Number
Bide Pharmatech	BD229380

Database	Data ID
PubChem	24756409

M. W.

241.32816

CAS

895152-66-6

Similarity

N/A

ID: 290425

3-N-benzylpyridine-3,4-diamine

$$$$ Data

M. F.

C12H13N3

Suppliers	Catalog Number
Bide Pharmatech	BD229383

Database	Data ID
PubChem	12542814

M. W.

199.25172

CAS

75115-28-5

Similarity

N/A

ID: 290426

2,2-dimethyl-4-(propan-2-yl)-2H-1,3-benzodioxole

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Bide Pharmatech	BD229384

Database	Data ID
PubChem	19710760

M. W.

192.25424

CAS

201166-22-5

Similarity

N/A

ID: 290427

ethyl 2,2-difluoro-3-hydroxypentanoate

$$$$ Data

M. F.

C7H12F2O3

Suppliers	Catalog Number
Bide Pharmatech	BD229386

Database	Data ID
PubChem	59863825

M. W.

182.1651864

CAS

1092693-68-9

Similarity

N/A

ID: 290428

(1S,2S,6R,8S)-2,9,9-trimethyl-4-(2-methylpropyl)-3,5-dioxa-4-boratricyclo[6.1.1....

$$$$ Data

M. F.

C14H25BO2

Suppliers	Catalog Number
Bide Pharmatech	BD229387

Database	Data ID
PubChem	12842239

M. W.

236.1581

CAS

84110-34-9

Similarity

N/A

ID: 290429

1-(3,4-dihydro-2H-1,4-thiazin-5-yl)ethan-1-one

$$$$ Data

M. F.

C6H9NOS

Suppliers	Catalog Number
Bide Pharmatech	BD229388

Database	Data ID
PubChem	526853

M. W.

143.20676

CAS

164524-93-0

Similarity

N/A

ID: 290430

2-chloro-5-methyl-4-nitropyridine

$$$$ Data

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229389

Database	Data ID
PubChem	13419588

M. W.

172.5691

CAS

97944-45-1

Similarity

N/A

ID: 290431

3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole

$$$$ Data

M. F.

C14H15BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD229392

Database	Data ID
PubChem	867106

M. W.

307.1857

CAS

443106-68-1

Similarity

N/A

ID: 290432

3-(4-bromophenyl)-5-(dichloromethyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C9H5BrCl2N2O

Suppliers	Catalog Number
Bide Pharmatech	BD229393

Database	Data ID
PubChem	46739371

M. W.

307.9588

CAS

1133116-19-4

Similarity

N/A

ID: 290433

2-ethyl-4-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole

$$$$ Data

M. F.

C12H20BNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD229465

Database	Data ID
PubChem	46739816

M. W.

253.1687

CAS

1218789-94-6

Similarity

N/A

ID: 290434

4-fluoro-2-(methylsulfanyl)-1,3-benzothiazole

$$$$ Data

M. F.

C8H6FNS2

Suppliers	Catalog Number
Bide Pharmatech	BD229466

Database	Data ID
PubChem	19391751

M. W.

199.2683432

CAS

154327-25-0

Similarity

N/A

ID: 290435

2-(propan-2-yl)-1,3-thiazole

$$$$ Data

M. F.

C6H9NS

Suppliers	Catalog Number
Bide Pharmatech	BD229467

Database	Data ID
PubChem	85054

M. W.

127.20736

CAS

15679-10-4

Similarity

N/A

ID: 290436

methyl 2-amino-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C11H9ClN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229472

Database	Data ID
PubChem	46738871

M. W.

268.71936

CAS

1065074-40-9

Similarity

N/A

ID: 290437

methyl 2-amino-4-(4-chlorophenyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C11H9ClN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229474

Database	Data ID
PubChem	46738994

M. W.

268.71936

CAS

1065074-65-8

Similarity

N/A

ID: 290438

methyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C11H10N2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229478

Database	Data ID
PubChem	34056169

M. W.

234.2743

CAS

893652-36-3

Similarity

N/A

ID: 290439

1-(4-bromophenyl)piperidin-4-one

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD229480

Database	Data ID
PubChem	24692148

M. W.

254.12308

CAS

154913-23-2

Similarity

N/A

ID: 290440

benzyl N-[1-(4-bromophenyl)cyclopropyl]carbamate

$$$$ Data

M. F.

C17H16BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD229482

Database	Data ID
PubChem	46739608

M. W.

346.21844

CAS

1187386-06-6

Similarity

N/A

ID: 290441

propan-2-yl 4-(4-bromophenyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C14H19BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229484

Database	Data ID
PubChem	53216212

M. W.

327.21686

CAS

1226808-58-7

Similarity

N/A

ID: 290442

1-(4-bromophenyl)-4-methanesulfonylpiperazine

$$$$ Data

M. F.

C11H15BrN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229485

Database	Data ID
PubChem	21919384

M. W.

319.218

CAS

357647-98-4

Similarity

N/A

ID: 290443

1-(4-bromophenyl)-4-(ethanesulfonyl)piperazine

$$$$ Data

M. F.

C12H17BrN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229486

Database	Data ID
PubChem	53216213

M. W.

333.24458

CAS

1221658-67-8

Similarity

N/A

ID: 290444

2-methylpropyl 4-(4-bromophenyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C15H21BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD229487

Database	Data ID
PubChem	53216214

M. W.

341.24344

CAS

1226808-71-4

Similarity

N/A

ID: 290445

4-(4-bromophenyl)-N,N-dimethylpiperazine-1-sulfonamide

$$$$ Data

M. F.

C12H18BrN3O2S

Suppliers	Catalog Number
Bide Pharmatech	BD229488

Database	Data ID
PubChem	53216215

M. W.

348.25922

CAS

1226808-59-8

Similarity

N/A

ID: 290446

4-(2-bromophenyl)morpholine

$$$$ Data

M. F.

C10H12BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD229489

Database	Data ID
PubChem	5325729

M. W.

242.11238

CAS

87698-82-6

Similarity

N/A

ID: 290447

N-[1-(4-bromophenyl)cyclopropyl]acetamide

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD229490

Database	Data ID
PubChem	47265694

M. W.

254.12308

CAS

1330750-29-2

Similarity

N/A

ID: 290448

2-(4-methoxyphenyl)-2-methylpropan-1-amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Bide Pharmatech	BD229492

Database	Data ID
PubChem	3581364

M. W.

179.25878

CAS

51558-25-9

Similarity

N/A

ID: 290449

tert-butyl N-(2-fluoro-4-iodophenyl)-N-[(2-fluoro-4-iodophenyl)carbamoyl]carbama...

$$$$ Data

M. F.

C18H16F2I2N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD229493

Database	Data ID
PubChem	46738810

M. W.

600.1369864

CAS

1033201-49-8

Similarity

N/A

ID: 290450

methyl 1-[2-nitro-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

$$$$ Data

M. F.

C12H10F3NO4

Suppliers	Catalog Number
Bide Pharmatech	BD229498

Database	Data ID
PubChem	46738657

M. W.

289.2073096

CAS

951885-67-9

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