Chembase list of 866358 unique molecular structures

5-(3-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C14H10ClN3S

Suppliers	Catalog Number
Apollo Scientific	OR14446
Enamine	EN300-110559

Database	Data ID
PubChem	692215

M. W.

287.7673

CAS

Similarity

N/A

ID: 77252

ethyl thiomorpholine-3-carboxylate

$$$$ Data

M. F.

C7H13NO2S

Suppliers	Catalog Number
Apollo Scientific	OR1445
Bide Pharmatech	BD3908
A&J Pharmtech	AJA-O15655

Database	Data ID
PubChem	13604869

M. W.

175.24862

CAS

58729-31-0

Similarity

N/A

ID: 77253

4-butyl-5-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H15N3S

Suppliers	Catalog Number
Apollo Scientific	OR14451

Database	Data ID
PubChem	2219372

M. W.

233.3326

CAS

Similarity

N/A

ID: 77254

5-(4-chlorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C12H14ClN3S

Suppliers	Catalog Number
Apollo Scientific	OR14454

Database	Data ID
PubChem	951877

M. W.

267.77766

CAS

Similarity

N/A

ID: 77255

5-(4-ethoxyphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H15N3OS

Suppliers	Catalog Number
Apollo Scientific	OR14458

Database	Data ID
PubChem	740361

M. W.

297.3748

CAS

Similarity

N/A

ID: 77256

4-benzyl-5-[3-(2,4-dichlorophenoxy)propyl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C18H17Cl2N3OS

Suppliers	Catalog Number
Apollo Scientific	OR14464

Database	Data ID
PubChem	26369654

M. W.

394.31808

CAS

Similarity

N/A

ID: 77257

2-[(4-chlorophenyl)methyl]-5-methyl-1,3-thiazol-4-ol

$$$$ Data

M. F.

C11H10ClNOS

Suppliers	Catalog Number
Apollo Scientific	OR14465

Database	Data ID
PubChem	670640

M. W.

239.7212

CAS

Similarity

N/A

ID: 77258

3-N-(4-chlorophenyl)-3H-1,2,4-triazole-3,5-diamine

$$$$ Data

M. F.

C8H8ClN5

Suppliers	Catalog Number
Apollo Scientific	OR14466

Database	Data ID
PubChem	22299100

M. W.

209.63562

CAS

Similarity

N/A

ID: 77259

1-carbamimidamido-N-(3,4-dimethylphenyl)methanimidamide hydrochloride

$$$$ Data

M. F.

C10H16ClN5

Suppliers	Catalog Number
Apollo Scientific	OR14467

Database	Data ID
PubChem	18950009

M. W.

241.72054

CAS

Similarity

N/A

ID: 77260

2-(prop-2-en-1-ylsulfanyl)benzoic acid

$$$$ Data

M. F.

C10H10O2S

Suppliers	Catalog Number
Apollo Scientific	OR14468

Database	Data ID
PubChem	264696

M. W.

194.2502

CAS

Similarity

N/A

ID: 77261

4-(4-chlorophenyl)-4-oxo-2-(pyrrolidin-1-yl)butanoic acid

$$$$ Data

M. F.

C14H16ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR14472

Database	Data ID
PubChem	3071816

M. W.

281.73474

CAS

Similarity

N/A

ID: 77262

{[4-(3-chlorophenyl)piperazin-1-yl](methylsulfanyl)methylidene}(cyano)amine

$$$$ Data

M. F.

C13H15ClN4S

Suppliers	Catalog Number
Apollo Scientific	OR14474

Database	Data ID
PubChem	1482467

M. W.

294.803

CAS

Similarity

N/A

ID: 77263

ethyl 3,5-dichloro-4-ethoxybenzoate

$$$$ Data

M. F.

C11H12Cl2O3

Suppliers	Catalog Number
Apollo Scientific	OR14476

Database	Data ID
PubChem	23528070

M. W.

263.11718

CAS

Similarity

N/A

ID: 77264

2-[(4-aminophenyl)sulfanyl]-N-(4-bromophenyl)acetamide

$$$$ Data

M. F.

C14H13BrN2OS

Suppliers	Catalog Number
Apollo Scientific	OR14478

Database	Data ID
PubChem	3330652

M. W.

337.23482

CAS

Similarity

N/A

ID: 77265

2-[(4-aminophenyl)sulfanyl]-N-(4-chlorophenyl)acetamide

$$$$ Data

M. F.

C14H13ClN2OS

Suppliers	Catalog Number
Apollo Scientific	OR14479

Database	Data ID
PubChem	3657746

M. W.

292.78382

CAS

Similarity

N/A

ID: 77266

2-[(4-aminophenyl)sulfanyl]-N-(4-methoxyphenyl)acetamide

$$$$ Data

M. F.

C15H16N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR14480

Database	Data ID
PubChem	3846730

M. W.

288.36474

CAS

Similarity

N/A

ID: 77267

3-(4-ethylphenyl)prop-2-enoic acid

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Apollo Scientific	OR14482
Enamine	EN300-13521

Database	Data ID
PubChem	1482753

M. W.

176.21178

CAS

28784-98-7

Similarity

N/A

ID: 77268

ethyl 2-(thiophen-2-yl)acetate

$$$$ Data More

M. F.

C8H10O2S

Suppliers	Catalog Number
Sigma Aldrich	257648
MP Biomedicals	05212420
Alfa Aesar	A15896

Database	Data ID
PubChem	93657

M. W.

170.2288

CAS

57382-97-5

Similarity

N/A

ID: 77269

furan-2-sulfonyl chloride

$$$$ Data

M. F.

C4H3ClO3S

Suppliers	Catalog Number
Maybridge	CC02003
Apollo Scientific	OR14486

Database	Data ID
PubChem	2795072

M. W.

166.58282

CAS

52665-48-2

Similarity

N/A

ID: 77270

1-(1-benzofuran-5-yl)-2-bromoethan-1-one

$$$$ Data

M. F.

C10H7BrO2

Suppliers	Catalog Number
Maybridge	CC07105
Apollo Scientific	OR14487

Database	Data ID
PubChem	2795178

M. W.

239.06538

CAS

844891-02-7

Similarity

N/A

ID: 77271

(2-methylquinolin-6-yl)methanol

$$$$ Data More

M. F.

C11H11NO

Suppliers	Catalog Number
Maybridge	CC28409
Apollo Scientific	OR14489
Bide Pharmatech	BD44430

Database	Data ID
PubChem	2795481

M. W.

173.21114

CAS

108166-02-5

Similarity

N/A

ID: 77272

ethyl 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Maybridge	CC34823
Apollo Scientific	OR1449

Database	Data ID
PubChem	7127809

M. W.

232.23528

CAS

850375-01-8

Similarity

N/A

ID: 77273

tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate

$$$$ Data

M. F.

C16H24N2O3

Suppliers	Catalog Number
Maybridge	CC30009
Apollo Scientific	OR14491

Database	Data ID
PubChem	2795510

M. W.

292.37336

CAS

158985-37-6

Similarity

N/A

ID: 77274

4-methylthiophene-2-carbonyl chloride

$$$$ Data

M. F.

C6H5ClOS

Suppliers	Catalog Number
Sigma Aldrich	652040
Apollo Scientific	OR14492
Life Chemicals	F2158-1127

Database	Data ID
PubChem	2795525

M. W.

160.6213

CAS

32990-47-9

Similarity

N/A

ID: 77275

(5-bromo-1-benzofuran-2-yl)methanamine

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Maybridge	CC31213
Apollo Scientific	OR14495

Database	Data ID
PubChem	2795538

M. W.

226.06992

CAS

165736-51-6

Similarity

N/A

ID: 77276

1-(5-bromo-1-benzothiophen-3-yl)ethan-1-one

$$$$ Data

M. F.

C10H7BrOS

Suppliers	Catalog Number
Apollo Scientific	OR14496

Database	Data ID
PubChem	617836

M. W.

255.13098

CAS

1423-63-8

Similarity

N/A

ID: 77277

2,3-dimethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Maybridge	MO00792
Apollo Scientific	OR14497

Database	Data ID
PubChem	2794621

M. W.

234.2081

CAS

5825-71-8

Similarity

N/A

ID: 77278

ethyl 5-(furan-2-yl)-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C10H9NO4

Suppliers	Catalog Number
Maybridge	CC34923
Apollo Scientific	OR1450

Database	Data ID
PubChem	7127810

M. W.

207.18276

CAS

33545-40-3

Similarity

N/A

ID: 77279

1-{furo[3,2-c]pyridin-4-yl}-1,4-diazepane

$$$$ Data

M. F.

C12H15N3O

Suppliers	Catalog Number
Apollo Scientific	OR14500

Database	Data ID
PubChem	2794809

M. W.

217.267

CAS

845885-87-2

Similarity

N/A

ID: 77280

3,4-dihydro-2H-1-benzopyran-2-ylmethanol

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Maybridge	MO07319
Apollo Scientific	OR14501
A&J Pharmtech	AJA-O6501

Database	Data ID
PubChem	2794816

M. W.

164.20108

CAS

83278-86-8

Similarity

N/A

ID: 77281

but-2-yn-1-ol

$$$$ Data More

M. F.

C4H6O

Suppliers	Catalog Number
Sigma Aldrich	244341 19179
MP Biomedicals	05209612
Alfa Aesar	A15709

Database	Data ID
PubChem	12991

M. W.

70.08984

CAS

764-01-2

Similarity

N/A

ID: 77282

2-methylbut-1-ene

$$$$ Data

M. F.

C5H10

Suppliers	Catalog Number
Sigma Aldrich	257486 66035 66030
Alfa Aesar	H27230
Apollo Scientific	OR14507

Database	Data ID
PubChem	11240

M. W.

70.1329

CAS

563-46-2

Similarity

N/A

ID: 77283

2-methoxybutane

$$$$ Data

M. F.

C5H12O

Suppliers	Catalog Number
Sigma Aldrich	424463
Alfa Aesar	H53427
Apollo Scientific	OR14508

Database	Data ID
PubChem	23238

M. W.

88.14818

CAS

6795-87-5

Similarity

N/A

ID: 77284

3-(prop-2-yn-1-yloxy)prop-1-yne

$$$$ Data

M. F.

C6H6O

Suppliers	Catalog Number
Sigma Aldrich	416967
Apollo Scientific	OR14509

Database	Data ID
PubChem	23349

M. W.

94.11124

CAS

6921-27-3

Similarity

N/A

ID: 77285

ethyl 5-(furan-2-yl)-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR1451

Database	Data ID
PubChem	7127811

M. W.

206.198

CAS

34020-22-9

Similarity

N/A

ID: 77286

ethyl but-2-ynoate

$$$$ Data More

M. F.

C6H8O2

Suppliers	Catalog Number
Sigma Aldrich	425117 19204
Alfa Aesar	B25370
Apollo Scientific	OR14510

Database	Data ID
PubChem	78043

M. W.

112.12652

CAS

4341-76-8

Similarity

N/A

ID: 77287

5-chloropent-1-yne

$$$$ Data More

M. F.

C5H7Cl

Suppliers	Catalog Number
Sigma Aldrich	244376 25795
MP Biomedicals	05206217
Alfa Aesar	L02835

Database	Data ID
PubChem	84308

M. W.

102.56208

CAS

14267-92-6

Similarity

N/A

ID: 77288

6-chlorohex-1-yne

$$$$ Data

M. F.

C6H9Cl

Suppliers	Catalog Number
Sigma Aldrich	469777
Apollo Scientific	OR14512

Database	Data ID
PubChem	272001

M. W.

116.58866

CAS

10297-06-0

Similarity

N/A

ID: 77289

11-chloroundec-1-ene

$$$$ Data

M. F.

C11H21Cl

Suppliers	Catalog Number
Sigma Aldrich	593117
Apollo Scientific	OR14513

Database	Data ID
PubChem	543805

M. W.

188.73744

CAS

872-17-3

Similarity

N/A

ID: 77290

[(2S)-1-methylpyrrolidin-2-yl]methanol

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
Sigma Aldrich	302767 68890
Apollo Scientific	OR14515
Enamine	EN300-95661

Database	Data ID
PubChem	643492

M. W.

115.17352

CAS

34381-71-0

Similarity

N/A

ID: 77291

(4R)-4-(propan-2-yl)-1,3-thiazolidine-2-thione

$$$$ Data

M. F.

C6H11NS2

Suppliers	Catalog Number
Sigma Aldrich	05329
Apollo Scientific	OR14517
Bide Pharmatech	BD211125

Database	Data ID
PubChem	13922954

M. W.

161.28824

CAS

110199-16-1

Similarity

N/A

ID: 77292

(4S)-4-(propan-2-yl)-1,3-thiazolidine-2-thione

$$$$ Data

M. F.

C6H11NS2

Suppliers	Catalog Number
Sigma Aldrich	39933
Apollo Scientific	OR14518

Database	Data ID
PubChem	11321340

M. W.

161.28824

CAS

76186-04-4

Similarity

N/A

ID: 77293

(4S)-4-phenyl-1,3-thiazolidine-2-thione

$$$$ Data

M. F.

C9H9NS2

Suppliers	Catalog Number
Sigma Aldrich	39911
Apollo Scientific	OR14519
A&J Pharmtech	AJA-O6176

Database	Data ID
PubChem	11333042

M. W.

195.30446

CAS

185137-29-5

Similarity

N/A

ID: 77294

(4R)-4-phenyl-1,3-thiazolidine-2-thione

$$$$ Data

M. F.

C9H9NS2

Suppliers	Catalog Number
Sigma Aldrich	05802
Apollo Scientific	OR14520

Database	Data ID
PubChem	11521249

M. W.

195.30446

CAS

110199-18-3

Similarity

N/A

ID: 77295

(4S)-4-benzyl-1,3-thiazolidine-2-thione

$$$$ Data

M. F.

C10H11NS2

Suppliers	Catalog Number
Sigma Aldrich	06357
Apollo Scientific	OR14521
Bide Pharmatech	BD32264

Database	Data ID
PubChem	11458470

M. W.

209.33104

CAS

171877-39-7

Similarity

N/A

ID: 77296

(4R)-4-benzyl-1,3-thiazolidine-2-thione

$$$$ Data More

M. F.

C10H11NS2

Suppliers	Catalog Number
Sigma Aldrich	42787
Apollo Scientific	OR14522
Bide Pharmatech	BD30155

Database	Data ID
PubChem	9543574

M. W.

209.33104

CAS

110199-17-2

Similarity

N/A

ID: 77297

(4R)-4-(propan-2-yl)-1,3-oxazolidine-2-thione

$$$$ Data

M. F.

C6H11NOS

Suppliers	Catalog Number
Sigma Aldrich	08914
Apollo Scientific	OR14523

Database	Data ID
PubChem	16211136

M. W.

145.22264

CAS

1217463-35-8

Similarity

N/A

ID: 77298

(4S)-4-(propan-2-yl)-1,3-oxazolidine-2-thione

$$$$ Data

M. F.

C6H11NOS

Suppliers	Catalog Number
Sigma Aldrich	345407
Apollo Scientific	OR14524

Database	Data ID
PubChem	7271926

M. W.

145.22264

CAS

104499-08-3

Similarity

N/A

ID: 77299

(4S)-4-phenyl-1,3-oxazolidine-2-thione

$$$$ Data

M. F.

C9H9NOS

Suppliers	Catalog Number
Sigma Aldrich	08913
Apollo Scientific	OR14525

Database	Data ID
PubChem	11286808

M. W.

179.23886

CAS

190970-57-1

Similarity

N/A

ID: 77300

(4R)-4-phenyl-1,3-oxazolidine-2-thione

$$$$ Data

M. F.

C9H9NOS

Suppliers	Catalog Number
Sigma Aldrich	00762
Apollo Scientific	OR14526
A&J Pharmtech	AJA-O5583

Database	Data ID
PubChem	10845078

M. W.

179.23886

CAS

171877-37-5

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