Chembase list of 866358 unique molecular structures

methyl 2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Apollo Scientific	OR40371

Database	Data ID
PubChem	51341995

M. W.

221.20934

CAS

Similarity

N/A

ID: 88352

7-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR40372
A&J Pharmtech	AJA-O21098

Database	Data ID
PubChem	13665494

M. W.

178.1879

CAS

105807-79-2

Similarity

N/A

ID: 88353

5-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR40373

Database	Data ID
PubChem	51341996

M. W.

178.1879

CAS

Similarity

N/A

ID: 88354

1-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR40374

Database	Data ID
PubChem	51341997

M. W.

203.23712

CAS

945-49-3

Similarity

N/A

ID: 88355

4-(thiophen-3-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C7H6N2S2

Suppliers	Catalog Number
Apollo Scientific	OR40375

Database	Data ID
PubChem	13637406

M. W.

182.26594

CAS

Similarity

N/A

ID: 88356

(pyren-1-yl)boronic acid

$$$$ Data More

M. F.

C16H11BO2

Suppliers	Catalog Number
Sigma Aldrich	542873
Apollo Scientific	OR40378
Bide Pharmatech	BD60359

Database	Data ID
PubChem	5084102

M. W.

246.06834

CAS

164461-18-1

Similarity

N/A

ID: 88357

6-methyl-3,5-dinitro-8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexae...

$$$$ Data

M. F.

C13H8N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR40387

Database	Data ID
PubChem	71300049

M. W.

288.27862

CAS

Similarity

N/A

ID: 88358

2,3-diphenylquinoxaline

$$$$ Data

M. F.

C20H14N2

Suppliers	Catalog Number
MP Biomedicals	05206275
Alfa Aesar	B20100
Apollo Scientific	OR40388

Database	Data ID
PubChem	74311

M. W.

282.33856

CAS

1684-14-6

Similarity

N/A

ID: 88359

hexane-1-thiol

$$$$ Data More

M. F.

C6H14S

Suppliers	Catalog Number
Sigma Aldrich	W384208 234192 52870
MP Biomedicals	05215532
Alfa Aesar	L09659

Database	Data ID
PubChem	8106

M. W.

118.24036

CAS

111-31-9

Similarity

N/A

ID: 88360

2-[bromo(phenyl)methyl]-4,6-dimethoxypyrimidine

$$$$ Data

M. F.

C13H13BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR4039

Database	Data ID
PubChem	44119529

M. W.

309.15852

CAS

Similarity

N/A

ID: 88361

1-N,1-N-dimethylbenzene-1,3-diamine dihydrochloride

$$$$ Data More

M. F.

C8H14Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	219223 07765
MP Biomedicals	02157838 05211436
Apollo Scientific	OR40391

Database	Data ID
PubChem	77124

M. W.

209.11616

CAS

3575-32-4

Similarity

N/A

ID: 88362

7-bromo-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C9H7BrO

Suppliers	Catalog Number
Apollo Scientific	OR40392
Bide Pharmatech	BD38492
A&J Pharmtech	AJA-O1389

Database	Data ID
PubChem	14515298

M. W.

211.05528

CAS

125114-77-4

Similarity

N/A

ID: 88363

2-methoxyacetyl chloride

$$$$ Data More

M. F.

C3H5ClO2

Suppliers	Catalog Number
Sigma Aldrich	M9653 64975
MP Biomedicals	05221491
Alfa Aesar	L03210

Database	Data ID
PubChem	96623

M. W.

108.5236

CAS

38870-89-2

Similarity

N/A

ID: 88364

1-(2-iodophenyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C10H9IO2

Suppliers	Catalog Number
Apollo Scientific	OR40395
A&J Pharmtech	AJA-O13273

Database	Data ID
PubChem	20026190

M. W.

288.08173

CAS

124276-93-3

Similarity

N/A

ID: 88365

[4-(phenylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H12BNO3

Suppliers	Catalog Number
Alfa Aesar	H53159
Apollo Scientific	OR4040
A&J Pharmtech	AJA-O32022

Database	Data ID
PubChem	11096747

M. W.

241.05028

CAS

330793-45-8

Similarity

N/A

ID: 88366

3-bromo-5-methoxybenzaldehyde

$$$$ Data

M. F.

C8H7BrO2

Suppliers	Catalog Number
Apollo Scientific	OR40400

Database	Data ID
PubChem	10608698

M. W.

215.04398

CAS

262450-65-7

Similarity

N/A

ID: 88367

3-bromo-5-methoxyaniline

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Apollo Scientific	OR40401
Enamine	EN300-67112
Bide Pharmatech	BD222123

Database	Data ID
PubChem	14998828

M. W.

202.04852

CAS

16618-68-1

Similarity

N/A

ID: 88368

phenylphosphonoyl dichloride

$$$$ Data More

M. F.

C6H5Cl2OP

Suppliers	Catalog Number
Sigma Aldrich	389560 36242
MP Biomedicals	05212985
Alfa Aesar	A13777

Database	Data ID
PubChem	69990

M. W.

194.983061

CAS

824-72-6

Similarity

N/A

ID: 88369

3-azabicyclo[3.1.0]hexane hydrochloride

$$$$ Data

M. F.

C5H10ClN

Suppliers	Catalog Number
Apollo Scientific	OR40404
Enamine	EN300-45217
A&J Pharmtech	AJA-O5129

Database	Data ID
PubChem	22335289

M. W.

119.5926

CAS

73799-64-1

Similarity

N/A

ID: 88370

(2-amino-1,3-thiazol-5-yl)methanol

$$$$ Data

M. F.

C4H6N2OS

Suppliers	Catalog Number
Apollo Scientific	OR40405
A&J Pharmtech	AJA-O30639

Database	Data ID
PubChem	11217273

M. W.

130.16824

CAS

131184-73-1

Similarity

N/A

ID: 88371

3-methylpyridine-2-carboxamide

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR40408

Database	Data ID
PubChem	16641023

M. W.

136.15122

CAS

937648-82-3

Similarity

N/A

ID: 88372

1-bromo-3-iodo-5-nitrobenzene

$$$$ Data

M. F.

C6H3BrINO2

Suppliers	Catalog Number
Apollo Scientific	OR40409
A&J Pharmtech	AJA-O10175

Database	Data ID
PubChem	45480387

M. W.

327.90199

CAS

861601-15-2

Similarity

N/A

ID: 88373

methyl 3-(4,6-dimethoxypyrimidin-2-yl)propanoate

$$$$ Data

M. F.

C10H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR4041

Database	Data ID
PubChem	4252883

M. W.

226.22916

CAS

Similarity

N/A

ID: 88374

potassium oxalic acid dihydrate hydrogen oxalate

$$$$ Data

M. F.

C4H7KO10

Suppliers	Catalog Number
Sigma Aldrich	60594 60592 60589 (more...)
Alfa Aesar	A14933
Apollo Scientific	OR40410

Database	Data ID
PubChem	23664780

M. W.

254.19068

CAS

6100-20-5

Similarity

N/A

ID: 88375

(5-chloro-2-nitrophenyl)methanol

$$$$ Data

M. F.

C7H6ClNO3

Suppliers	Catalog Number
Sigma Aldrich	187402
Apollo Scientific	OR40411
Bide Pharmatech	BD4610

Database	Data ID
PubChem	556066

M. W.

187.58044

CAS

73033-58-6

Similarity

N/A

ID: 88376

bis[3-(diphenylphosphanyl)cyclopenta-2,4-dien-1-yl]iron; dichloromethane; dichlo...

$$$$ Data

M. F.

C35H30Cl4FeP2Pd

Suppliers	Catalog Number
Apollo Scientific	OR40417

Database	Data ID
PubChem	51341998

M. W.

816.637222

CAS

95464-05-4

Similarity

N/A

ID: 88377

3-(hydroxymethyl)cyclohexan-1-one

$$$$ Data

M. F.

C7H12O2

Suppliers	Catalog Number
Apollo Scientific	OR40418

Database	Data ID
PubChem	12201678

M. W.

128.16898

CAS

21996-61-2

Similarity

N/A

ID: 88378

2-(hydroxymethyl)cyclohexan-1-one

$$$$ Data

M. F.

C7H12O2

Suppliers	Catalog Number
Apollo Scientific	OR40419

Database	Data ID
PubChem	21406

M. W.

128.16898

CAS

5331-08-8

Similarity

N/A

ID: 88379

methyl 4-(4,6-dimethoxypyrimidin-2-yl)benzoate

$$$$ Data

M. F.

C14H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR4042

Database	Data ID
PubChem	4049869

M. W.

274.27196

CAS

Similarity

N/A

ID: 88380

1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C11H19BN2O2

Suppliers	Catalog Number
Maybridge	MAY00074
Apollo Scientific	OR40420

Database	Data ID
PubChem	42647313

M. W.

222.09176

CAS

1036991-40-8

Similarity

N/A

ID: 88381

ethyl 7-bromoimidazo[1,2-a]pyridine-2-carboxylate

$$$$ Data

M. F.

C10H9BrN2O2

Suppliers	Catalog Number
Alfa Aesar	H35899
Apollo Scientific	OR40424

Database	Data ID
PubChem	51063904

M. W.

269.09466

CAS

Similarity

N/A

ID: 88382

2-bromo-3-methylphenol

$$$$ Data More

M. F.

C7H7BrO

Suppliers	Catalog Number
Apollo Scientific	OR40426
Enamine	EN300-105060
Bide Pharmatech	BD71641

Database	Data ID
PubChem	265090

M. W.

187.03388

CAS

22061-78-5

Similarity

N/A

ID: 88383

2-chloro-5-(dichloromethyl)pyridine

$$$$ Data

M. F.

C6H4Cl3N

Suppliers	Catalog Number
Apollo Scientific	OR40427

Database	Data ID
PubChem	594879

M. W.

196.46166

CAS

72637-18-4

Similarity

N/A

ID: 88384

2-hydroxy-3,5-bis(propan-2-yl)benzoic acid

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Sigma Aldrich	135690
Alfa Aesar	A15845
Apollo Scientific	OR40429

Database	Data ID
PubChem	30543

M. W.

222.28022

CAS

2215-21-6

Similarity

N/A

ID: 88385

4-(bromomethyl)-3-iodobenzonitrile

$$$$ Data

M. F.

C8H5BrIN

Suppliers	Catalog Number
Apollo Scientific	OR40430

Database	Data ID
PubChem	22476095

M. W.

321.94047

CAS

182287-63-4

Similarity

N/A

ID: 88386

4-chlorobut-2-yn-1-ol

$$$$ Data

M. F.

C4H5ClO

Suppliers	Catalog Number
Sigma Aldrich	728233
Alfa Aesar	L20159
Apollo Scientific	OR40432

Database	Data ID
PubChem	202775

M. W.

104.5349

CAS

13280-07-4

Similarity

N/A

ID: 88387

5-chloropyridine-2,3-diamine

$$$$ Data More

M. F.

C5H6ClN3

Suppliers	Catalog Number
Sigma Aldrich	714623
Alfa Aesar	L19526
Apollo Scientific	OR40433

Database	Data ID
PubChem	1268254

M. W.

143.57424

CAS

25710-20-7

Similarity

N/A

ID: 88388

3,3-dimethyl-1-(4-methylphenyl)butan-1-one

$$$$ Data

M. F.

C13H18O

Suppliers	Catalog Number
Apollo Scientific	OR40434

Database	Data ID
PubChem	17860656

M. W.

190.28142

CAS

681215-86-1

Similarity

N/A

ID: 88389

2-ethoxypyridine

$$$$ Data More

M. F.

C7H9NO

Suppliers	Catalog Number
MP Biomedicals	05210749
Alfa Aesar	L05649
Apollo Scientific	OR40436

Database	Data ID
PubChem	84499

M. W.

123.15246

CAS

14529-53-4

Similarity

N/A

ID: 88390

3-benzylbenzene-1,2-diol

$$$$ Data

M. F.

C13H12O2

Suppliers	Catalog Number
Apollo Scientific	OR40437

Database	Data ID
PubChem	21679669

M. W.

200.23318

CAS

70764-01-1

Similarity

N/A

ID: 88391

(4-methylpyridin-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H11ClN2

Suppliers	Catalog Number
Apollo Scientific	OR40440

Database	Data ID
PubChem	51341999

M. W.

158.62864

CAS

Similarity

N/A

ID: 88392

4-(3-hydroxybutyl)-2-methoxyphenol

$$$$ Data

M. F.

C11H16O3

Suppliers	Catalog Number
Apollo Scientific	OR40441

Database	Data ID
PubChem	3016110

M. W.

196.24294

CAS

39728-80-8

Similarity

N/A

ID: 88393

ethyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate

$$$$ Data

M. F.

C12H11ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR40443
InterBioScreen	BB_SC-0651
Enamine	EN300-110882

Database	Data ID
PubChem	619485

M. W.

250.68094

CAS

938182-43-5

Similarity

N/A

ID: 88394

3-methyl-7-nitro-1,2-benzoxazol-6-ol

$$$$ Data

M. F.

C8H6N2O4

Suppliers	Catalog Number
Apollo Scientific	OR40444

Database	Data ID
PubChem	14006598

M. W.

194.14424

CAS

112429-42-2

Similarity

N/A

ID: 88395

2-(chloromethyl)-1-methyl-1H-imidazole hydrochloride

$$$$ Data

M. F.

C5H8Cl2N2

Suppliers	Catalog Number
Maybridge	CC20874
Apollo Scientific	OR40445
Enamine	EN300-13275

Database	Data ID
PubChem	2795406

M. W.

167.03642

CAS

78667-04-6

Similarity

N/A

ID: 88396

ditrichloromethyl carbonate

$$$$ Data More

M. F.

C3Cl6O3

Suppliers	Catalog Number
Sigma Aldrich	15217 330752
Alfa Aesar	A14932
Apollo Scientific	OR40448

Database	Data ID
Wikipedia	Triphosgene
PubChem	94429

M. W.

296.7483

CAS

32315-10-9

Similarity

N/A

ID: 88397

triphenylsulfanium chloride

$$$$ Data

M. F.

C18H15ClS

Suppliers	Catalog Number
Sigma Aldrich	93135
MP Biomedicals	05219577
Apollo Scientific	OR40449

Database	Data ID
PubChem	61343

M. W.

298.8297

CAS

109037-76-5

Similarity

N/A

ID: 88398

2-methoxy-4-nitrophenol

$$$$ Data More

M. F.

C7H7NO4

Suppliers	Catalog Number
Sigma Aldrich	326828
Apollo Scientific	OR40450
TRC	N495960

Database	Data ID
PubChem	76738

M. W.

169.13478

CAS

3251-56-7

Similarity

N/A

ID: 88399

3-bromo-4-nitropyridin-1-ium-1-olate

$$$$ Data More

M. F.

C5H3BrN2O3

Suppliers	Catalog Number
Alfa Aesar	L19524
Apollo Scientific	OR40457
Bide Pharmatech	BD32211

Database	Data ID
PubChem	548521

M. W.

218.99292

CAS

1678-49-5

Similarity

N/A

ID: 88400

2-ethenyloxirane

$$$$ Data

M. F.

C4H6O

Suppliers	Catalog Number
Sigma Aldrich	127574 95013
Alfa Aesar	L00238
Apollo Scientific	OR40458

Database	Data ID
PubChem	13586

M. W.

70.08984

CAS

930-22-3

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