Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C8H7NO2S

Suppliers	Catalog Number
Sigma Aldrich	184357
MP Biomedicals	05211800
Alfa Aesar	A15427

Database	Data ID
PubChem	82077

M. W.

181.21168

CAS

7605-28-9

Similarity

N/A

ID: 73902

piperazine-2-carboxylic acid dihydrochloride

$$$$ Data More

M. F.

C5H12Cl2N2O2

Suppliers	Catalog Number
Sigma Aldrich	P1710 484903
Alfa Aesar	H27101
Maybridge	AC13366

Database	Data ID
PubChem	2723757

M. W.

203.06698

CAS

133525-05-0

Similarity

N/A

ID: 73903

tert-butyl 2-(piperazin-1-yl)acetate dihydrochloride

$$$$ Data

M. F.

C10H22Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR0238

Database	Data ID
PubChem	2757325

M. W.

273.19988

CAS

Similarity

N/A

ID: 73904

4-(piperazine-1-carbonyl)morpholine

$$$$ Data

M. F.

C9H17N3O2

Suppliers	Catalog Number
Apollo Scientific	OR0241
Life Chemicals	F1757-0249

Database	Data ID
PubChem	700139

M. W.

199.25018

CAS

98834-08-3

Similarity

N/A

ID: 73905

2-(piperazin-1-yl)-N-(pyridin-2-yl)acetamide dihydrate trihydrochloride

$$$$ Data

M. F.

C11H23Cl3N4O3

Suppliers	Catalog Number
Apollo Scientific	OR0242

Database	Data ID
PubChem	2737188

M. W.

365.68432

CAS

Similarity

N/A

ID: 73906

2-(piperazin-1-yl)-N-(pyridin-3-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C11H18Cl2N4O

Suppliers	Catalog Number
Apollo Scientific	OR0243

Database	Data ID
PubChem	2760442

M. W.

293.19282

CAS

Similarity

N/A

ID: 73907

N-(2-phenylethyl)-2-(piperazin-1-yl)acetamide hydrochloride

$$$$ Data

M. F.

C14H22ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR0244

Database	Data ID
PubChem	17221278

M. W.

283.79698

CAS

Similarity

N/A

ID: 73908

N-benzyl-2-(piperazin-1-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C13H21Cl2N3O

Suppliers	Catalog Number
Apollo Scientific	OR0245

Database	Data ID
PubChem	2756654

M. W.

306.23134

CAS

827614-58-4

Similarity

N/A

ID: 73909

N-phenyl-2-(piperazin-1-yl)acetamide dihydrochloride

$$$$ Data

M. F.

C12H19Cl2N3O

Suppliers	Catalog Number
Apollo Scientific	OR0247

Database	Data ID
PubChem	2760397

M. W.

292.20476

CAS

Similarity

N/A

ID: 73910

3-chloro-2-(propan-2-ylsulfanyl)aniline

$$$$ Data

M. F.

C9H12ClNS

Suppliers	Catalog Number
Apollo Scientific	OR0248
Enamine	EN300-84872

Database	Data ID
PubChem	2735747

M. W.

201.71628

CAS

Similarity

N/A

ID: 73911

4-chloro-2-isocyanato-1-methoxybenzene

$$$$ Data

M. F.

C8H6ClNO2

Suppliers	Catalog Number
Sigma Aldrich	478237
Alfa Aesar	B22395
Apollo Scientific	OR0249

Database	Data ID
PubChem	144009

M. W.

183.59174

CAS

55440-54-5

Similarity

N/A

ID: 73912

N-(4-chloro-2-methylphenyl)acetamide

$$$$ Data

M. F.

C9H10ClNO

Suppliers	Catalog Number
Alfa Aesar	B22371
Apollo Scientific	OR0250
A&J Pharmtech	AJA-O15927

Database	Data ID
PubChem	78877

M. W.

183.6348

CAS

5202-86-8

Similarity

N/A

ID: 73913

(3-chloro-4-methylphenyl)methanamine

$$$$ Data More

M. F.

C8H10ClN

Suppliers	Catalog Number
Maybridge	TL00917
Apollo Scientific	OR0253
Chemik	CHB58121

Database	Data ID
PubChem	106225

M. W.

155.6247

CAS

67952-93-6

Similarity

N/A

ID: 73914

4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole

$$$$ Data

M. F.

C11H8Cl3NO

Suppliers	Catalog Number
Maybridge	SPB07543
Apollo Scientific	OR0255

Database	Data ID
PubChem	2735759

M. W.

276.54632

CAS

303225-22-1

Similarity

N/A

ID: 73915

2-(chloromethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole

$$$$ Data More

M. F.

C10H9ClN2O

Suppliers	Catalog Number
Maybridge	RF02900
Apollo Scientific	OR0257
Enamine	EN300-22011

Database	Data ID
PubChem	736973

M. W.

208.64426

CAS

287197-95-9

Similarity

N/A

ID: 73916

1-chloro-2-isocyanato-3-methylbenzene

$$$$ Data

M. F.

C8H6ClNO

Suppliers	Catalog Number
Sigma Aldrich	445479
Alfa Aesar	L11645
Apollo Scientific	OR0261

Database	Data ID
PubChem	268123

M. W.

167.59234

CAS

40398-01-4

Similarity

N/A

ID: 73917

2-chloro-5-nitrobenzamide

$$$$ Data More

M. F.

C7H5ClN2O3

Suppliers	Catalog Number
Alfa Aesar	B20835
Maybridge	TL00837
Apollo Scientific	OR0265

Database	Data ID
PubChem	286562

M. W.

200.5792

CAS

16588-15-1

Similarity

N/A

ID: 73918

4-chloro-3-nitrobenzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C6H3Cl2NO4S

Suppliers	Catalog Number
Sigma Aldrich	C59408
Alfa Aesar	B21632
Maybridge	KM08399

Database	Data ID
PubChem	7323

M. W.

256.06332

CAS

97-08-5

Similarity

N/A

ID: 73919

1-(5-chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

$$$$ Data

M. F.

C17H15ClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR0267

Database	Data ID
PubChem	2735778

M. W.

346.765

CAS

Similarity

N/A

ID: 73920

1-chloro-4-isocyanato-2-nitrobenzene

$$$$ Data More

M. F.

C7H3ClN2O3

Suppliers	Catalog Number
Sigma Aldrich	478377
Alfa Aesar	L11087
Maybridge	SB01901

Database	Data ID
PubChem	142448

M. W.

198.56332

CAS

40397-96-4

Similarity

N/A

ID: 73921

7-chloro-4-nitro-5-(piperidin-1-yl)-2,1,3-benzoxadiazole

$$$$ Data

M. F.

C11H11ClN4O3

Suppliers	Catalog Number
Apollo Scientific	OR0269

Database	Data ID
PubChem	2735780

M. W.

282.68304

CAS

Similarity

N/A

ID: 73922

2-(4-chlorophenoxy)ethanimidamide hydrochloride

$$$$ Data

M. F.

C8H10Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR0272

Database	Data ID
PubChem	13430824

M. W.

221.0838

CAS

59104-19-7

Similarity

N/A

ID: 73923

2-(4-chlorophenoxy)-3-nitropyridine

$$$$ Data

M. F.

C11H7ClN2O3

Suppliers	Catalog Number
Maybridge	BTB09538
Apollo Scientific	OR0273

Database	Data ID
PubChem	2735789

M. W.

250.63788

CAS

76893-45-3

Similarity

N/A

ID: 73924

5-chloro-3-phenyl-2,1-benzoxazole

$$$$ Data More

M. F.

C13H8ClNO

Suppliers	Catalog Number
Sigma Aldrich	642657
Alfa Aesar	B23130
Apollo Scientific	OR0274

Database	Data ID
PubChem	347291

M. W.

229.66172

CAS

719-64-2

Similarity

N/A

ID: 73925

1-benzofuran-2-carbohydrazide

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR0275
Enamine	EN300-99981

Database	Data ID
PubChem	468646

M. W.

176.17202

CAS

Similarity

N/A

ID: 73926

5-(5-bromo-1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C16H10BrN3OS

Suppliers	Catalog Number
Apollo Scientific	OR0276

Database	Data ID
PubChem	40424594

M. W.

372.2391

CAS

Similarity

N/A

ID: 73927

3-(4-bromophenoxy)propanenitrile

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Apollo Scientific	OR0277
Enamine	EN300-59401

Database	Data ID
PubChem	7020697

M. W.

226.06992

CAS

Similarity

N/A

ID: 73928

5-(4-chlorophenyl)-2-(1,3-dioxolan-2-yl)furan-3-carboxylic acid

$$$$ Data

M. F.

C14H11ClO5

Suppliers	Catalog Number
Apollo Scientific	OR0278

Database	Data ID
PubChem	2735793

M. W.

294.68714

CAS

Similarity

N/A

ID: 73929

(1s,4s)-4-(4-chlorophenyl)cyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C13H15ClO2

Suppliers	Catalog Number
Apollo Scientific	OR0279

Database	Data ID
PubChem	2735792

M. W.

238.71

CAS

95233-37-7

Similarity

N/A

ID: 73930

2-chloro-2-phenyl-2,3-dihydro-1H-indene-1,3-dione

$$$$ Data

M. F.

C15H9ClO2

Suppliers	Catalog Number
Apollo Scientific	OR0281

Database	Data ID
PubChem	350195

M. W.

256.68376

CAS

Similarity

N/A

ID: 73931

2-(4-chlorophenyl)-2,3-dihydro-1H-indene-1,3-dione

$$$$ Data

M. F.

C15H9ClO2

Suppliers	Catalog Number
Alfa Aesar	B25201
Apollo Scientific	OR0282

Database	Data ID
PubChem	70846

M. W.

256.68376

CAS

1146-99-2

Similarity

N/A

ID: 73932

1-chloro-2-isocyanatobenzene

$$$$ Data More

M. F.

C7H4ClNO

Suppliers	Catalog Number
Sigma Aldrich	251941
MP Biomedicals	05204263
Maybridge	SB01818

Database	Data ID
PubChem	76833

M. W.

153.56576

CAS

3320-83-0

Similarity

N/A

ID: 73933

6-chloro-3-phenylpyridazin-4-ol

$$$$ Data

M. F.

C10H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR0289

Database	Data ID
PubChem	92316

M. W.

206.62838

CAS

Similarity

N/A

ID: 73934

5-chloro-6-phenylpyridazin-3-ol

$$$$ Data

M. F.

C10H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR0290
Life Chemicals	F1967-0467

Database	Data ID
PubChem	2735803

M. W.

206.62838

CAS

51660-08-3

Similarity

N/A

ID: 73935

6-[(4-chlorophenyl)sulfanyl]pyridine-3-carbonitrile

$$$$ Data

M. F.

C12H7ClN2S

Suppliers	Catalog Number
Apollo Scientific	OR0293

Database	Data ID
PubChem	2735809

M. W.

246.71538

CAS

Similarity

N/A

ID: 73936

6-chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

$$$$ Data More

M. F.

C11H7ClN4

Suppliers	Catalog Number
Apollo Scientific	OR0294
Life Chemicals	F1967-0573
InterBioScreen	BB_SC-9877

Database	Data ID
PubChem	911462

M. W.

230.65308

CAS

7190-80-9

Similarity

N/A

ID: 73937

2-chloro-5-propylpyrimidine

$$$$ Data

M. F.

C7H9ClN2

Suppliers	Catalog Number
Alfa Aesar	H27409
Maybridge	RJC02409
Apollo Scientific	OR0295

Database	Data ID
PubChem	2735784

M. W.

156.61276

CAS

219555-98-3

Similarity

N/A

ID: 73938

5-(6-chloropyridin-3-yl)-4-methyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C8H7ClN4S

Suppliers	Catalog Number
Apollo Scientific	OR0297

Database	Data ID
PubChem	2735817

M. W.

226.68598

CAS

Similarity

N/A

ID: 73939

3-chloro-2,5-dihydro-1$l^{6}-thiophene-1,1-dione

$$$$ Data

M. F.

C4H5ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR0299
Life Chemicals	F1294-0007
Enamine	EN300-86112

Database	Data ID
PubChem	1241423

M. W.

152.5993

CAS

7311-87-7

Similarity

N/A

ID: 73940

N-(4-aminobutyl)naphthalene-2-sulfonamide hydrochloride

$$$$ Data More

M. F.

C14H19ClN2O2S

Suppliers	Catalog Number
Sigma Aldrich	A3168
MP Biomedicals	02159691
Apollo Scientific	OR0300T

Database	Data ID
PubChem	9839864

M. W.

314.83086

CAS

89108-46-3

Similarity

N/A

ID: 73941

1,3-dichloro-2-(2-nitroethenyl)benzene

$$$$ Data More

M. F.

C8H5Cl2NO2

Suppliers	Catalog Number
Sigma Aldrich	642142
Alfa Aesar	A10110
Maybridge	S01398

Database	Data ID
PubChem	5369223

M. W.

218.0368

CAS

22482-43-5

Similarity

N/A

ID: 73942

(E)-N-[(2E)-3-phenylprop-2-en-1-ylidene]hydroxylamine

$$$$ Data More

M. F.

C9H9NO

Suppliers	Catalog Number
Alfa Aesar	L05026
Maybridge	BTB09548
Apollo Scientific	OR0305

Database	Data ID
PubChem	9561350

M. W.

147.17386

CAS

13372-81-1

Similarity

N/A

ID: 73943

3-(methanesulfonylsulfanyl)propanamide

$$$$ Data

M. F.

C4H9NO3S2

Suppliers	Catalog Number
Apollo Scientific	OR0305T
TRC	A603050

Database	Data ID
PubChem	2735294

M. W.

183.24916

CAS

351422-28-1

Similarity

N/A

ID: 73944

6-cyclohexyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
Apollo Scientific	OR0307

Database	Data ID
PubChem	2735844

M. W.

235.30542

CAS

290313-19-8

Similarity

N/A

ID: 73945

2-cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Maybridge	BTB13703
Apollo Scientific	OR0308

Database	Data ID
PubChem	2775833

M. W.

221.29546

CAS

189640-37-7

Similarity

N/A

ID: 73946

4-cyano-1H-imidazole-5-carboxamide

$$$$ Data

M. F.

C5H4N4O

Suppliers	Catalog Number
Alfa Aesar	B22535
Maybridge	TL00895
Apollo Scientific	OR0309

Database	Data ID
PubChem	270862

M. W.

136.11146

CAS

5372-23-6

Similarity

N/A

ID: 73947

5-methyl-2-phenylfuran-3-carbonitrile

$$$$ Data

M. F.

C12H9NO

Suppliers	Catalog Number
Apollo Scientific	OR0310

Database	Data ID
PubChem	790969

M. W.

183.20596

CAS

Similarity

N/A

ID: 73948

2-(1H-indol-1-yl)benzonitrile

$$$$ Data

M. F.

C15H10N2

Suppliers	Catalog Number
Apollo Scientific	OR0312

Database	Data ID
PubChem	2735871

M. W.

218.2533

CAS

Similarity

N/A

ID: 73949

2-isocyanatobenzonitrile

$$$$ Data

M. F.

C8H4N2O

Suppliers	Catalog Number
Maybridge	BTB13667
Apollo Scientific	OR0313

Database	Data ID
PubChem	2735873

M. W.

144.13016

CAS

42066-86-4

Similarity

N/A

ID: 73950

3-(piperazin-1-yl)pyrazine-2-carbonitrile

$$$$ Data

M. F.

C9H11N5

Suppliers	Catalog Number
Apollo Scientific	OR0314

Database	Data ID
PubChem	2760441

M. W.

189.21714

CAS

306935-30-8

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