Chembase list of 866358 unique molecular structures

methyl (7R)-6-(prop-2-en-1-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexa...

$$$$ Data

M. F.

C19H22N2O2

Suppliers	Catalog Number
Matrix Scientific	057853

Database	Data ID
PubChem	46912075

M. W.

310.39018

CAS

72821-79-5

Similarity

N/A

ID: 53102

5-chloro-2,3-dihydro-1H-isoindol-1-one

$$$$ Data

M. F.

C8H6ClNO

Suppliers	Catalog Number
Matrix Scientific	057856
Bide Pharmatech	BD103627
A&J Pharmtech	AJA-O6640

Database	Data ID
PubChem	19788108

M. W.

167.59234

CAS

74572-29-5

Similarity

N/A

ID: 53103

1-(5-bromo-1H-indol-7-yl)ethan-1-one

$$$$ Data

M. F.

C10H8BrNO

Suppliers	Catalog Number
Matrix Scientific	057857

Database	Data ID
PubChem	49757992

M. W.

238.08062

CAS

Similarity

N/A

ID: 53104

2-methyl-5-phenyl-1H-indole-7-carboxamide

$$$$ Data

M. F.

C16H14N2O

Suppliers	Catalog Number
Matrix Scientific	057858

Database	Data ID
PubChem	16214850

M. W.

250.29516

CAS

943607-57-6

Similarity

N/A

ID: 53105

5-phenyl-2-(trifluoromethyl)-1H-indole-7-carboxamide

$$$$ Data

M. F.

C16H11F3N2O

Suppliers	Catalog Number
Matrix Scientific	057859

Database	Data ID
PubChem	49757993

M. W.

304.2665496

CAS

1211597-10-2

Similarity

N/A

ID: 53106

methyl 5-phenyl-1H-indole-7-carboxylate

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
Matrix Scientific	057860

Database	Data ID
PubChem	49757994

M. W.

251.27992

CAS

860624-96-0

Similarity

N/A

ID: 53107

2-cyclopropyl-5-phenyl-1H-indole-7-carboxamide

$$$$ Data

M. F.

C18H16N2O

Suppliers	Catalog Number
Matrix Scientific	057861

Database	Data ID
PubChem	49757995

M. W.

276.33244

CAS

1211592-88-9

Similarity

N/A

ID: 53108

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide

$$$$ Data

M. F.

C15H19BN2O3

Suppliers	Catalog Number
Matrix Scientific	057863

Database	Data ID
PubChem	49757997

M. W.

286.13396

CAS

Similarity

N/A

ID: 53109

4-hydroxy-1H-indole-7-carboxamide

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Matrix Scientific	057864

Database	Data ID
PubChem	49757998

M. W.

176.17202

CAS

1211594-40-9

Similarity

N/A

ID: 53110

4-phenyl-1H-indole-7-carboxamide

$$$$ Data

M. F.

C15H12N2O

Suppliers	Catalog Number
Matrix Scientific	057865

Database	Data ID
PubChem	49757999

M. W.

236.26858

CAS

Similarity

N/A

ID: 53111

(5-phenyl-1H-indol-7-yl)methanol

$$$$ Data

M. F.

C15H13NO

Suppliers	Catalog Number
Matrix Scientific	057866

Database	Data ID
PubChem	49758000

M. W.

223.26982

CAS

Similarity

N/A

ID: 53112

4-(benzyloxy)-1H-indole-7-carboxamide

$$$$ Data

M. F.

C16H14N2O2

Suppliers	Catalog Number
Matrix Scientific	057867

Database	Data ID
PubChem	49758001

M. W.

266.29456

CAS

Similarity

N/A

ID: 53113

4-ethoxy-1H-indole-7-carboxamide

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Matrix Scientific	057868

Database	Data ID
PubChem	49758002

M. W.

204.22518

CAS

Similarity

N/A

ID: 53114

1H-pyrrole-2-carbonitrile

$$$$ Data More

M. F.

C5H4N2

Suppliers	Catalog Number
Sigma Aldrich	668311
Alfa Aesar	L15330
Matrix Scientific	057869

Database	Data ID
PubChem	138277

M. W.

92.09866

CAS

4513-94-4

Similarity

N/A

ID: 53115

5-(1H-pyrrol-2-yl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C5H5N5

Suppliers	Catalog Number
Matrix Scientific	057870

Database	Data ID
PubChem	49758003

M. W.

135.1267

CAS

31602-66-1

Similarity

N/A

ID: 53116

methyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H8N2O4

Suppliers	Catalog Number
Matrix Scientific	057871
Bide Pharmatech	BD214631

Database	Data ID
PubChem	2759930

M. W.

184.14942

CAS

13138-76-6

Similarity

N/A

ID: 53117

1-methyl-4-{[(propan-2-yloxy)carbonyl]amino}-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C10H14N2O4

Suppliers	Catalog Number
Matrix Scientific	057872

Database	Data ID
PubChem	49758004

M. W.

226.22916

CAS

77716-11-1

Similarity

N/A

ID: 53118

methyl 4-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C12H18N2O4

Suppliers	Catalog Number
Matrix Scientific	057873

Database	Data ID
PubChem	11345817

M. W.

254.28232

CAS

126092-96-4

Similarity

N/A

ID: 53119

2,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethan-1-one

$$$$ Data

M. F.

C7H5Cl3N2O3

Suppliers	Catalog Number
Matrix Scientific	057876
Chemik	CHHZ19200
Bide Pharmatech	BD4344

Database	Data ID
PubChem	2759966

M. W.

271.4852

CAS

120122-47-6

Similarity

N/A

ID: 53120

1-methyl-1H-pyrrole-2-carboxylic acid

$$$$ Data More

M. F.

C6H7NO2

Suppliers	Catalog Number
Sigma Aldrich	153141 69105
ChemBridge	3020106
Alfa Aesar	L05906

Database	Data ID
PubChem	81453

M. W.

125.12528

CAS

6973-60-0

Similarity

N/A

ID: 53121

1H,4H,5H,6H-cyclopenta[b]pyrrol-5-one

$$$$ Data

M. F.

C7H7NO

Suppliers	Catalog Number
Matrix Scientific	057878

Database	Data ID
PubChem	12034892

M. W.

121.13658

CAS

313663-81-9

Similarity

N/A

ID: 53122

4,5,6,7-tetrahydro-1H-indol-5-one

$$$$ Data

M. F.

C8H9NO

Suppliers	Catalog Number
Matrix Scientific	057879
A&J Pharmtech	AJA-O12683

Database	Data ID
PubChem	21823464

M. W.

135.16316

CAS

35419-02-4

Similarity

N/A

ID: 53123

methyl 5-chloro-1H-indole-6-carboxylate

$$$$ Data

M. F.

C10H8ClNO2

Suppliers	Catalog Number
Matrix Scientific	057880

Database	Data ID
PubChem	49758005

M. W.

209.62902

CAS

1245643-61-1

Similarity

N/A

ID: 53124

methyl 5-bromo-1H-indole-6-carboxylate

$$$$ Data

M. F.

C10H8BrNO2

Suppliers	Catalog Number
Matrix Scientific	057881

Database	Data ID
PubChem	49758006

M. W.

254.08002

CAS

1227267-28-8

Similarity

N/A

ID: 53125

6-bromo-2-phenyl-1H-indole

$$$$ Data

M. F.

C14H10BrN

Suppliers	Catalog Number
Matrix Scientific	057882

Database	Data ID
PubChem	10423352

M. W.

272.1399

CAS

77185-71-8

Similarity

N/A

ID: 53126

ethyl 4-methyl-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Matrix Scientific	057885
Bide Pharmatech	BD227437

Database	Data ID
PubChem	14676600

M. W.

155.15126

CAS

38061-69-7

Similarity

N/A

ID: 53127

6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride

$$$$ Data More

M. F.

C12H14ClFN2O

Suppliers	Catalog Number
Matrix Scientific	057886
Apollo Scientific	PC6042
InterBioScreen	BB_SC-4607

Database	Data ID
PubChem	11334359

M. W.

256.7037632

CAS

84163-13-3

Similarity

N/A

ID: 53128

ethyl 3-methyl-1,2-oxazole-5-carboxylate

$$$$ Data More

M. F.

C7H9NO3

Suppliers	Catalog Number
Matrix Scientific	057887
InterBioScreen	BB_SC-9173
Enamine	EN300-106041

Database	Data ID
PubChem	10329487

M. W.

155.15126

CAS

63366-79-0

Similarity

N/A

ID: 53129

3-methyl-1,2-oxazole-5-carbaldehyde

$$$$ Data

M. F.

C5H5NO2

Suppliers	Catalog Number
ChemBridge	4034847
Matrix Scientific	057888
Maybridge	CC27004

Database	Data ID
PubChem	10582758

M. W.

111.0987

CAS

70753-36-5

Similarity

N/A

ID: 53130

5-methylpyrazin-2-amine

$$$$ Data More

M. F.

C5H7N3

Suppliers	Catalog Number
Matrix Scientific	057890
Maybridge	MO08458
Apollo Scientific	OR16560

Database	Data ID
PubChem	313215

M. W.

109.12918

CAS

5521-58-4

Similarity

N/A

ID: 53131

3-bromo-5-methylpyrazin-2-amine

$$$$ Data

M. F.

C5H6BrN3

Suppliers	Catalog Number
Matrix Scientific	057892
Bide Pharmatech	BD69843

Database	Data ID
PubChem	9899043

M. W.

188.02524

CAS

74290-65-6

Similarity

N/A

ID: 53132

5-aminopyrazine-2-carboxylic acid

$$$$ Data

M. F.

C5H5N3O2

Suppliers	Catalog Number
Matrix Scientific	057894
Bide Pharmatech	BD20661

Database	Data ID
PubChem	21897334

M. W.

139.1121

CAS

40155-43-9

Similarity

N/A

ID: 53133

5-aminopyrazine-2-carbonitrile

$$$$ Data More

M. F.

C5H4N4

Suppliers	Catalog Number
Matrix Scientific	057895
Apollo Scientific	OR18000
Enamine	EN300-101119

Database	Data ID
PubChem	13925294

M. W.

120.11206

CAS

113305-94-5

Similarity

N/A

ID: 53134

2-chloropyrimidine-5-sulfonyl chloride

$$$$ Data

M. F.

C4H2Cl2N2O2S

Suppliers	Catalog Number
Matrix Scientific	057898
A&J Pharmtech	AJA-O14829

Database	Data ID
PubChem	43244366

M. W.

213.04188

CAS

98026-88-1

Similarity

N/A

ID: 53135

2,4,6-trichloro-5-nitropyrimidine

$$$$ Data

M. F.

C4Cl3N3O2

Suppliers	Catalog Number
Matrix Scientific	057899
Bide Pharmatech	BD66211
A&J Pharmtech	AJA-O12460

Database	Data ID
PubChem	4297843

M. W.

228.4207

CAS

4359-87-9

Similarity

N/A

ID: 53136

5-fluoropyrimidine

$$$$ Data

M. F.

C4H3FN2

Suppliers	Catalog Number
Matrix Scientific	057900
Apollo Scientific	PC1549
Bide Pharmatech	BD22141

Database	Data ID
PubChem	69605

M. W.

98.0784232

CAS

675-21-8

Similarity

N/A

ID: 53137

4-({7-hydroxy-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzonitrile

$$$$ Data

M. F.

C14H12N4O

Suppliers	Catalog Number
Matrix Scientific	057901

Database	Data ID
PubChem	164116

M. W.

252.27128

CAS

105365-76-2

Similarity

N/A

ID: 53138

4-chloro-5H,6H,7H-cyclopenta[d]pyrimidine

$$$$ Data

M. F.

C7H7ClN2

Suppliers	Catalog Number
Matrix Scientific	057902
Enamine	EN300-65622

Database	Data ID
PubChem	13312449

M. W.

154.59688

CAS

83942-13-6

Similarity

N/A

ID: 53139

3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Matrix Scientific	057903
Bide Pharmatech	BD214530

Database	Data ID
PubChem	231638

M. W.

136.15122

CAS

5661-01-8

Similarity

N/A

ID: 53140

3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

$$$$ Data More

M. F.

C6H5N3O

Suppliers	Catalog Number
Sigma Aldrich	731935
Matrix Scientific	057904
Apollo Scientific	OR17055

Database	Data ID
PubChem	96194

M. W.

135.1234

CAS

3680-71-5

Similarity

N/A

ID: 53141

7H-pyrrolo[2,3-d]pyrimidin-4-amine

$$$$ Data More

M. F.

C6H6N4

Suppliers	Catalog Number
Sigma Aldrich	722332
Matrix Scientific	057905
Apollo Scientific	OR17059

Database	Data ID
PubChem	5359620

M. W.

134.13864

CAS

1500-85-2

Similarity

N/A

ID: 53142

4,5-dichloro-6-ethylpyrimidine

$$$$ Data

M. F.

C6H6Cl2N2

Suppliers	Catalog Number
Matrix Scientific	057908
Bide Pharmatech	BD160017
A&J Pharmtech	AJA-O37931

Database	Data ID
PubChem	11137668

M. W.

177.03124

CAS

115617-41-9

Similarity

N/A

ID: 53143

4,6-dichloro-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data More

M. F.

C5H2Cl2N4

Suppliers	Catalog Number
Matrix Scientific	057909
TRC	D435865
Enamine	EN300-61106

Database	Data ID
PubChem	12066449

M. W.

189.00218

CAS

42754-96-1

Similarity

N/A

ID: 53144

6-chloro-4-N-methylpyrimidine-2,4,5-triamine

$$$$ Data

M. F.

C5H8ClN5

Suppliers	Catalog Number
Matrix Scientific	057910

Database	Data ID
PubChem	11286737

M. W.

173.60352

CAS

330433-43-7

Similarity

N/A

ID: 53145

4-chloro-6-methyl-5-nitropyrimidin-2-amine

$$$$ Data

M. F.

C5H5ClN4O2

Suppliers	Catalog Number
Matrix Scientific	057911

Database	Data ID
PubChem	252188

M. W.

188.5718

CAS

13162-24-8

Similarity

N/A

ID: 53146

2-amino-6-methyl-5-nitro-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C5H6N4O3

Suppliers	Catalog Number
Matrix Scientific	057912
Enamine	EN300-101348
A&J Pharmtech	AJA-O4999

Database	Data ID
PubChem	252219

M. W.

170.12614

CAS

4214-85-1

Similarity

N/A

ID: 53147

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

$$$$ Data More

M. F.

C10H16BN3O2

Suppliers	Catalog Number
Alfa Aesar	H54451
Matrix Scientific	057913
Maybridge	MAY00031

Database	Data ID
PubChem	17750212

M. W.

221.06394

CAS

402960-38-7

Similarity

N/A

ID: 53148

5-bromo-4-methylpyrimidine

$$$$ Data

M. F.

C5H5BrN2

Suppliers	Catalog Number
Matrix Scientific	057914
Bide Pharmatech	BD149845
A&J Pharmtech	AJA-O21510

Database	Data ID
PubChem	12461863

M. W.

173.0106

CAS

1439-09-4

Similarity

N/A

ID: 53149

3-(2-chloroethyl)-2-methyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C11H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	057915
InterBioScreen	BB_SC-4611
TRC	C366155

Database	Data ID
PubChem	2763079

M. W.

226.7026

CAS

63234-80-0

Similarity

N/A

ID: 53150

6-methoxy-2-(trifluoromethyl)pyrimidin-4-amine

$$$$ Data

M. F.

C6H6F3N3O

Suppliers	Catalog Number
Matrix Scientific	057916

Database	Data ID
PubChem	606209

M. W.

193.1265496

CAS

16097-49-7

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