Chembase list of 866358 unique molecular structures

1-[(3-fluorophenyl)methyl]-1H-pyrazol-3-amine

$$$$ Data

M. F.

C10H10FN3

Suppliers	Catalog Number
ChemBridge	3002866
Matrix Scientific	020073

Database	Data ID
PubChem	6483868

M. W.

191.2049032

CAS

957480-06-7

Similarity

N/A

ID: 18002

4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C12H14N2OS

Suppliers	Catalog Number
Matrix Scientific	020074

Database	Data ID
PubChem	4205579

M. W.

234.31736

CAS

Similarity

N/A

ID: 18003

2-[2-(diethylamino)ethoxy]benzaldehyde

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
Matrix Scientific	020075
Key Organics	9P-011

Database	Data ID
PubChem	2764516

M. W.

221.29546

CAS

14573-92-3

Similarity

N/A

ID: 18004

4-(3-methoxyphenyl)aniline

$$$$ Data

M. F.

C13H13NO

Suppliers	Catalog Number
ChemBridge	4005744
Matrix Scientific	020076
A&J Pharmtech	AJA-O5969

Database	Data ID
PubChem	2759561

M. W.

199.24842

CAS

207287-79-4

Similarity

N/A

ID: 18005

ethyl 2-carbamimidoylacetate hydrochloride

$$$$ Data

M. F.

C5H11ClN2O2

Suppliers	Catalog Number
Matrix Scientific	020077
Bide Pharmatech	BD84064
A&J Pharmtech	AJA-O221

Database	Data ID
PubChem	15555354

M. W.

166.60604

CAS

50551-10-5

Similarity

N/A

ID: 18006

2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C9H9N3O2S

Suppliers	Catalog Number
Matrix Scientific	020079

Database	Data ID
PubChem	1498250

M. W.

223.25166

CAS

Similarity

N/A

ID: 18007

2H,3H-thieno[3,4-b][1,4]dioxine-5-carboxylic acid

$$$$ Data

M. F.

C7H6O4S

Suppliers	Catalog Number
ChemBridge	4003105
Matrix Scientific	020080
Maybridge	CC47801

Database	Data ID
PubChem	6483880

M. W.

186.18514

CAS

260063-21-6

Similarity

N/A

ID: 18008

3-(prop-2-en-1-yloxy)benzoic acid

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
ChemBridge	4003590
Matrix Scientific	020081

Database	Data ID
PubChem	6483884

M. W.

178.1846

CAS

103203-83-4

Similarity

N/A

ID: 18009

4-[2-(dimethylamino)ethoxy]benzaldehyde

$$$$ Data More

M. F.

C11H15NO2

Suppliers	Catalog Number
ChemBridge	4003884
Matrix Scientific	020082
Maybridge	CC51504

Database	Data ID
PubChem	84823

M. W.

193.2423

CAS

15182-92-0

Similarity

N/A

ID: 18010

5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine dihydrobromide

$$$$ Data

M. F.

C7H13Br2N3S

Suppliers	Catalog Number
Matrix Scientific	020083

Database	Data ID
PubChem	23135477

M. W.

331.07122

CAS

Similarity

N/A

ID: 18011

2-(3-cyclopropanecarbonyl-1H-indol-1-yl)acetic acid

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
ChemBridge	7862790
Matrix Scientific	020084

Database	Data ID
PubChem	972750

M. W.

243.25792

CAS

708295-12-9

Similarity

N/A

ID: 18012

1-(4-aminophenoxy)-3-(1H-imidazol-1-yl)propan-2-ol

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
ChemBridge	7917903
Matrix Scientific	020085

Database	Data ID
PubChem	6488209

M. W.

233.2664

CAS

878668-47-4

Similarity

N/A

ID: 18013

1-(3-aminophenoxy)-3-(1H-1,3-benzodiazol-1-yl)propan-2-ol

$$$$ Data

M. F.

C16H17N3O2

Suppliers	Catalog Number
Matrix Scientific	020086

Database	Data ID
PubChem	6488210

M. W.

283.32508

CAS

Similarity

N/A

ID: 18014

3-[(dimethylamino)methyl]benzoic acid

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
ChemBridge	4014707
Matrix Scientific	020089
Enamine	EN300-50358

Database	Data ID
PubChem	6484070

M. W.

179.21572

CAS

155412-73-0

Similarity

N/A

ID: 18015

[1-(3-aminopropyl)pyrrolidin-2-yl]methanol

$$$$ Data

M. F.

C8H18N2O

Suppliers	Catalog Number
Matrix Scientific	020090

Database	Data ID
PubChem	6488894

M. W.

158.24132

CAS

Similarity

N/A

ID: 18016

1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride

$$$$ Data

M. F.

C10H9ClN2O4S

Suppliers	Catalog Number
ChemBridge	4035860
Matrix Scientific	020091

Database	Data ID
PubChem	6488896

M. W.

288.70746

CAS

773877-44-4

Similarity

N/A

ID: 18017

3-(5-fluoro-1H-1,3-benzodiazol-2-yl)propan-1-amine

$$$$ Data

M. F.

C10H12FN3

Suppliers	Catalog Number
ChemBridge	4002550
Matrix Scientific	020092
Apollo Scientific	PC3303

Database	Data ID
PubChem	6484112

M. W.

193.2207832

CAS

883541-03-5

Similarity

N/A

ID: 18018

2-(4-chlorophenyl)-2-(dimethylamino)acetic acid

$$$$ Data

M. F.

C10H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	020093
Enamine	EN300-111083

Database	Data ID
PubChem	242172

M. W.

213.66078

CAS

Similarity

N/A

ID: 18019

(5-chloro-1H-1,3-benzodiazol-2-yl)methanamine

$$$$ Data

M. F.

C8H8ClN3

Suppliers	Catalog Number
ChemBridge	4002682
Matrix Scientific	020094
A&J Pharmtech	AJA-O11597 AJA-O23822

Database	Data ID
PubChem	6484117

M. W.

181.62222

CAS

273399-95-4

Similarity

N/A

ID: 18020

1-ethyl-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C4H8N4

Suppliers	Catalog Number
ChemBridge	4002753
Matrix Scientific	020095

Database	Data ID
PubChem	142619

M. W.

112.13312

CAS

42786-04-9

Similarity

N/A

ID: 18021

3-(1H-pyrazol-4-yl)propan-1-amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
Matrix Scientific	020096

Database	Data ID
PubChem	152327

M. W.

125.17164

CAS

21056-78-0

Similarity

N/A

ID: 18022

1-(pyridin-2-ylmethyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Matrix Scientific	020097

Database	Data ID
PubChem	3791494

M. W.

186.2099

CAS

383135-91-9

Similarity

N/A

ID: 18023

2-chloro-5,6-dimethylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
ChemBridge	4003369
Matrix Scientific	020098
TRC	C365425

Database	Data ID
PubChem	6484125

M. W.

185.60762

CAS

120003-75-0

Similarity

N/A

ID: 18024

1-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C13H17NO3

Suppliers	Catalog Number
Matrix Scientific	020099

Database	Data ID
PubChem	3928673

M. W.

235.27898

CAS

Similarity

N/A

ID: 18025

5-ethyl-1,2-dimethyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	020101

Database	Data ID
PubChem	6484174

M. W.

201.2643

CAS

Similarity

N/A

ID: 18026

2-(piperazin-1-yl)cyclohexan-1-ol

$$$$ Data

M. F.

C10H20N2O

Suppliers	Catalog Number
ChemBridge	4010894
Matrix Scientific	020102

Database	Data ID
PubChem	6484175

M. W.

184.2786

CAS

759402-42-1

Similarity

N/A

ID: 18027

[3-(pyrrolidin-1-ylmethyl)phenyl]methanamine

$$$$ Data More

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	4011233
Matrix Scientific	020103
Maybridge	CC55713

Database	Data ID
PubChem	4712478

M. W.

190.28472

CAS

91271-78-2

Similarity

N/A

ID: 18028

[3-(morpholin-4-ylmethyl)phenyl]methanamine

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Matrix Scientific	020104
Maybridge	CC40113
Enamine	EN300-43766

Database	Data ID
PubChem	6484182

M. W.

206.28412

CAS

91271-83-9

Similarity

N/A

ID: 18029

4-(morpholin-4-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C10H19N3O2

Suppliers	Catalog Number
Matrix Scientific	020106

Database	Data ID
PubChem	3016833

M. W.

213.27676

CAS

Similarity

N/A

ID: 18030

1-propyl-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C5H10N4

Suppliers	Catalog Number
Sigma Aldrich	CBR00376
ChemBridge	4013412
Matrix Scientific	020107

Database	Data ID
PubChem	143566

M. W.

126.1597

CAS

58661-95-3

Similarity

N/A

ID: 18031

dimethyl-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C4H8N4

Suppliers	Catalog Number
ChemBridge	4013413
Matrix Scientific	020108

Database	Data ID
PubChem	307976

M. W.

112.13312

CAS

34776-19-7

Similarity

N/A

ID: 18032

{3-[(dimethylamino)methyl]phenyl}methanamine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
ChemBridge	4014714
Matrix Scientific	020109

Database	Data ID
PubChem	16228070

M. W.

164.24744

CAS

246258-97-9

Similarity

N/A

ID: 18033

2-cyclopentylethan-1-amine

$$$$ Data More

M. F.

C7H15N

Suppliers	Catalog Number
ChemBridge	4087871 4015075
Matrix Scientific	020110
Enamine	EN300-30612

Database	Data ID
PubChem	5305650

M. W.

113.2007

CAS

5763-55-3

Similarity

N/A

ID: 18034

5-(4-methoxyphenyl)-4-methylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C13H12O3S

Suppliers	Catalog Number
Matrix Scientific	020111

Database	Data ID
PubChem	6489059

M. W.

248.29758

CAS

Similarity

N/A

ID: 18035

3-[(4-chlorophenyl)methanesulfonyl]propanoic acid

$$$$ Data

M. F.

C10H11ClO4S

Suppliers	Catalog Number
Matrix Scientific	020112

Database	Data ID
PubChem	3311676

M. W.

262.70994

CAS

Similarity

N/A

ID: 18036

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)acetamide

$$$$ Data More

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
ChemBridge	7274965
Matrix Scientific	020113
Life Chemicals	F0917-7556

Database	Data ID
PubChem	566661

M. W.

174.58498

CAS

59826-53-8

Similarity

N/A

ID: 18037

2-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanoic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	020114

Database	Data ID
PubChem	3381852

M. W.

235.23592

CAS

Similarity

N/A

ID: 18038

(5-methyl-1H-1,3-benzodiazol-2-yl)methanamine

$$$$ Data More

M. F.

C9H11N3

Suppliers	Catalog Number
ChemBridge	4005003
Matrix Scientific	020115
Enamine	EN300-95855

Database	Data ID
PubChem	924742

M. W.

161.20374

CAS

115087-90-6

Similarity

N/A

ID: 18039

5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid

$$$$ Data

M. F.

C10H11N3O3

Suppliers	Catalog Number
ChemBridge	3005285
Matrix Scientific	020116
Enamine	EN300-83731

Database	Data ID
PubChem	6484393

M. W.

221.21264

CAS

957487-32-0

Similarity

N/A

ID: 18040

5-amino-N,N,2-trimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C9H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	020117
Enamine	EN300-02143

Database	Data ID
PubChem	235529

M. W.

214.28466

CAS

Similarity

N/A

ID: 18041

5-ethyl-4-methylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C8H10O2S

Suppliers	Catalog Number
Matrix Scientific	020118
Enamine	EN300-07617

Database	Data ID
PubChem	3854263

M. W.

170.2288

CAS

Similarity

N/A

ID: 18042

5-methoxy-1,3-dimethyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Matrix Scientific	020119
Key Organics	7T-0295
Enamine	EN300-63794

Database	Data ID
PubChem	2764304

M. W.

154.1665

CAS

26990-71-6

Similarity

N/A

ID: 18043

4-[2-(piperazin-1-yl)ethyl]morpholine

$$$$ Data More

M. F.

C10H21N3O

Suppliers	Catalog Number
Alfa Aesar	H50688
Matrix Scientific	020120
Apollo Scientific	OR6912

Database	Data ID
PubChem	2734640

M. W.

199.29324

CAS

4892-89-1

Similarity

N/A

ID: 18044

1-[4-(4-chlorophenoxy)butyl]piperazine

$$$$ Data

M. F.

C14H21ClN2O

Suppliers	Catalog Number
Matrix Scientific	020121

Database	Data ID
PubChem	2194945

M. W.

268.78234

CAS

Similarity

N/A

ID: 18045

2-{1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetic acid

$$$$ Data

M. F.

C13H15FN2O3

Suppliers	Catalog Number
ChemBridge	49871451
Matrix Scientific	020123
Life Chemicals	F3034-0034

Database	Data ID
PubChem	2996914

M. W.

266.2682032

CAS

17768-36-4

Similarity

N/A

ID: 18046

4H,5H,6H,7H,8H,9H-cycloocta[d][1,3]thiazol-2-amine

$$$$ Data

M. F.

C9H14N2S

Suppliers	Catalog Number
ChemBridge	4028740
Matrix Scientific	020124
Enamine	EN300-53903

Database	Data ID
PubChem	3833816

M. W.

182.28586

CAS

27461-00-3

Similarity

N/A

ID: 18047

3-(propan-2-yloxy)aniline

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Sigma Aldrich	570621
Matrix Scientific	020125

Database	Data ID
PubChem	573220

M. W.

151.20562

CAS

41406-00-2

Similarity

N/A

ID: 18048

3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid

$$$$ Data

M. F.

C11H12O4

Suppliers	Catalog Number
Matrix Scientific	020126
Enamine	EN300-24291

Database	Data ID
PubChem	6484713

M. W.

208.21058

CAS

14939-92-5

Similarity

N/A

ID: 18049

3-(4-benzylpiperidin-1-yl)propanoic acid

$$$$ Data

M. F.

C15H21NO2

Suppliers	Catalog Number
Matrix Scientific	020127

Database	Data ID
PubChem	6494457

M. W.

247.33274

CAS

Similarity

N/A

ID: 18050

5-methyl-1H-1,3-benzodiazole-2-carbaldehyde hydrochloride

$$$$ Data

M. F.

C9H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	020129

Database	Data ID
PubChem	45075173

M. W.

196.63356

CAS

1185304-18-0

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