Chembase list of 866358 unique molecular structures

3-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Matrix Scientific	037973

Database	Data ID
PubChem	4067971

M. W.

202.2093

CAS

Similarity

N/A

ID: 35202

5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Matrix Scientific	037974

Database	Data ID
PubChem	852906

M. W.

245.2738

CAS

Similarity

N/A

ID: 35203

3-[3-(ethoxycarbonyl)-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid

$$$$ Data

M. F.

C18H21NO5

Suppliers	Catalog Number
Matrix Scientific	037975

Database	Data ID
PubChem	15890408

M. W.

331.36304

CAS

Similarity

N/A

ID: 35204

3-[3-(ethoxycarbonyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-1-yl]propanoic acid

$$$$ Data

M. F.

C18H21NO4

Suppliers	Catalog Number
Matrix Scientific	037976

Database	Data ID
PubChem	15877247

M. W.

315.36364

CAS

Similarity

N/A

ID: 35205

1-[2-(2-chlorophenoxy)ethyl]-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C17H14ClNO2

Suppliers	Catalog Number
ChemBridge	6370328
Matrix Scientific	037977

Database	Data ID
PubChem	594211

M. W.

299.75156

CAS

340318-80-1

Similarity

N/A

ID: 35206

1-(2-methoxyethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C16H19NO3

Suppliers	Catalog Number
Matrix Scientific	037978

Database	Data ID
PubChem	18552723

M. W.

273.32696

CAS

Similarity

N/A

ID: 35207

1-(2-methoxyethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C15H17NO3

Suppliers	Catalog Number
Matrix Scientific	037979

Database	Data ID
PubChem	9549756

M. W.

259.30038

CAS

Similarity

N/A

ID: 35208

2-[3-(ethoxycarbonyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrol-1-yl]acetic acid

$$$$ Data

M. F.

C17H19NO4

Suppliers	Catalog Number
Matrix Scientific	037980

Database	Data ID
PubChem	25219627

M. W.

301.33706

CAS

Similarity

N/A

ID: 35209

1-(3-methoxypropyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C16H19NO3

Suppliers	Catalog Number
Matrix Scientific	037981

Database	Data ID
PubChem	25219628

M. W.

273.32696

CAS

Similarity

N/A

ID: 35210

3-amino-3-(3-hydroxyphenyl)propanoic acid

$$$$ Data More

M. F.

C9H11NO3

Suppliers	Catalog Number
Matrix Scientific	037982
Key Organics	8R-0664
Apollo Scientific	OR13244

Database	Data ID
PubChem	2764411

M. W.

181.18854

CAS

102872-33-3

Similarity

N/A

ID: 35211

7-methoxy-4H,5H-naphtho[1,2-b]thiophene-2-carboxylic acid

$$$$ Data

M. F.

C14H12O3S

Suppliers	Catalog Number
Matrix Scientific	037983
Enamine	EN300-09793

Database	Data ID
PubChem	3691174

M. W.

260.30828

CAS

78554-65-1

Similarity

N/A

ID: 35212

(3-isothiocyanatopropyl)dimethylamine

$$$$ Data

M. F.

C6H12N2S

Suppliers	Catalog Number
Matrix Scientific	037984
Enamine	EN300-11924

Database	Data ID
PubChem	141351

M. W.

144.23788

CAS

27421-70-1

Similarity

N/A

ID: 35213

7-hydroxy-4-methyl-2-oxo-2H-chromene-8-carbaldehyde

$$$$ Data

M. F.

C11H8O4

Suppliers	Catalog Number
Selleck Chemicals	S7272
Matrix Scientific	037985

Database	Data ID
PubChem	12934390

M. W.

204.17882

CAS

14003-96-4

Similarity

N/A

ID: 35214

4-(2-chloroethyl)-3,5-dimethyl-1,2-oxazole

$$$$ Data

M. F.

C7H10ClNO

Suppliers	Catalog Number
Matrix Scientific	037986
InterBioScreen	BB_SC-3142
Enamine	EN300-103130

Database	Data ID
PubChem	911582

M. W.

159.6134

CAS

Similarity

N/A

ID: 35215

4-nitro-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C2H2N4O3

Suppliers	Catalog Number
ChemBridge	3020255
Matrix Scientific	037987

Database	Data ID
PubChem	543119

M. W.

130.06228

CAS

66328-69-6

Similarity

N/A

ID: 35216

5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-amine

$$$$ Data

M. F.

C9H8BrN3S

Suppliers	Catalog Number
Matrix Scientific	037988

Database	Data ID
PubChem	839873

M. W.

270.14892

CAS

Similarity

N/A

ID: 35217

2-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]acetic acid

$$$$ Data

M. F.

C15H13N3O3

Suppliers	Catalog Number
Matrix Scientific	037989
Apollo Scientific	OR13467

Database	Data ID
PubChem	675533

M. W.

283.28202

CAS

Similarity

N/A

ID: 35218

1-benzyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Matrix Scientific	037990

Database	Data ID
PubChem	3617722

M. W.

212.29024

CAS

Similarity

N/A

ID: 35219

3-(2,5-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Matrix Scientific	037991

Database	Data ID
PubChem	12189264

M. W.

232.23528

CAS

Similarity

N/A

ID: 35220

2-amino-3-hydroxy-3-phenylpropanoic acid

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
MP Biomedicals	02101000
Matrix Scientific	037992
InterBioScreen	STOCK1N-49151

Database	Data ID
PubChem	94134

M. W.

181.18854

CAS

7695-56-9

Similarity

N/A

ID: 35221

3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Matrix Scientific	037994
Enamine	EN300-44182

Database	Data ID
PubChem	6483841

M. W.

202.2093

CAS

Similarity

N/A

ID: 35222

4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole

$$$$ Data

M. F.

C7H11ClN2

Suppliers	Catalog Number
Matrix Scientific	037995
Apollo Scientific	OR7066
InterBioScreen	BB_SC-2697

Database	Data ID
PubChem	911572

M. W.

158.62864

CAS

79379-05-8

Similarity

N/A

ID: 35223

2-(dimethyl-1,2-oxazol-4-yl)ethane-1-thiol

$$$$ Data

M. F.

C7H11NOS

Suppliers	Catalog Number
ChemBridge	4016588
Matrix Scientific	037996

Database	Data ID
PubChem	25219629

M. W.

157.23334

CAS

915923-05-6

Similarity

N/A

ID: 35224

2-(dimethyl-1,2-oxazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C7H11NO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00078
ChemBridge	4016587
Matrix Scientific	037997

Database	Data ID
PubChem	12762346

M. W.

141.16774

CAS

83467-34-9

Similarity

N/A

ID: 35225

5-phenyl-6H-1,3,4-thiadiazin-2-amine

$$$$ Data

M. F.

C9H9N3S

Suppliers	Catalog Number
Matrix Scientific	037998
Enamine	EN300-11324

Database	Data ID
PubChem	667837

M. W.

191.25286

CAS

58954-39-5

Similarity

N/A

ID: 35226

5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine

$$$$ Data

M. F.

C10H11N3S

Suppliers	Catalog Number
Matrix Scientific	037999

Database	Data ID
PubChem	4269747

M. W.

205.27944

CAS

Similarity

N/A

ID: 35227

2-[3-(ethoxycarbonyl)-2,4-dimethyl-5-phenyl-1H-pyrrol-1-yl]acetic acid

$$$$ Data

M. F.

C17H19NO4

Suppliers	Catalog Number
Matrix Scientific	038000

Database	Data ID
PubChem	15877241

M. W.

301.33706

CAS

Similarity

N/A

ID: 35228

1,2,4-trimethyl-5-phenyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Matrix Scientific	038001

Database	Data ID
PubChem	852907

M. W.

229.2744

CAS

Similarity

N/A

ID: 35229

1-(3-ethoxypropyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C17H21NO3

Suppliers	Catalog Number
Matrix Scientific	038002

Database	Data ID
PubChem	25219630

M. W.

287.35354

CAS

Similarity

N/A

ID: 35230

5-(4-methoxyphenyl)-1-(3-methoxypropyl)-2-methyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C17H21NO4

Suppliers	Catalog Number
Matrix Scientific	038003

Database	Data ID
PubChem	25219631

M. W.

303.35294

CAS

Similarity

N/A

ID: 35231

5-thia-2,7-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),6,8,10-te...

$$$$ Data

M. F.

C9H6N2OS

Suppliers	Catalog Number
Sigma Aldrich	534242
Matrix Scientific	038004

Database	Data ID
PubChem	234934

M. W.

190.22174

CAS

3042-01-1

Similarity

N/A

ID: 35232

2-[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]acetic acid

$$$$ Data More

M. F.

C10H6O4

Suppliers	Catalog Number
ChemBridge	5116485
Matrix Scientific	038005
Maybridge	KM06895

Database	Data ID
PubChem	736767

M. W.

190.15224

CAS

125213-45-8

Similarity

N/A

ID: 35233

5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazole-2-thiol

$$$$ Data

M. F.

C7H8N4OS

Suppliers	Catalog Number
Matrix Scientific	038006

Database	Data ID
PubChem	7017740

M. W.

196.22962

CAS

Similarity

N/A

ID: 35234

5-[1-(3-methyl-1H-pyrazol-1-yl)ethyl]-1,3,4-oxadiazole-2-thiol

$$$$ Data

M. F.

C8H10N4OS

Suppliers	Catalog Number
Matrix Scientific	038007

Database	Data ID
PubChem	17020343

M. W.

210.2562

CAS

Similarity

N/A

ID: 35235

5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole-2-thiol

$$$$ Data

M. F.

C7H8N4OS

Suppliers	Catalog Number
Matrix Scientific	038008

Database	Data ID
PubChem	2747504

M. W.

196.22962

CAS

Similarity

N/A

ID: 35236

2-[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid

$$$$ Data

M. F.

C16H16FNO4

Suppliers	Catalog Number
Matrix Scientific	038009

Database	Data ID
PubChem	5311558

M. W.

305.3009432

CAS

Similarity

N/A

ID: 35237

2-[5-(bromomethyl)-2-ethoxyphenyl]-2H-1,2,3-benzotriazole

$$$$ Data

M. F.

C15H14BrN3O

Suppliers	Catalog Number
Matrix Scientific	038010

Database	Data ID
PubChem	25219632

M. W.

332.19516

CAS

Similarity

N/A

ID: 35238

2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)acetic acid

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
Matrix Scientific	038011

Database	Data ID
PubChem	15877240

M. W.

257.2845

CAS

Similarity

N/A

ID: 35239

3-[3-acetyl-5-(4-methoxyphenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid

$$$$ Data

M. F.

C17H19NO4

Suppliers	Catalog Number
Matrix Scientific	038012

Database	Data ID
PubChem	25219633

M. W.

301.33706

CAS

Similarity

N/A

ID: 35240

3-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid

$$$$ Data

M. F.

C16H16FNO3

Suppliers	Catalog Number
Matrix Scientific	038013

Database	Data ID
PubChem	25219634

M. W.

289.3015432

CAS

Similarity

N/A

ID: 35241

3-[3-(ethoxycarbonyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]propanoic acid

$$$$ Data

M. F.

C17H18FNO4

Suppliers	Catalog Number
Matrix Scientific	038014

Database	Data ID
PubChem	25219635

M. W.

319.3275232

CAS

Similarity

N/A

ID: 35242

2-(adamantan-1-yl)ethan-1-amine

$$$$ Data

M. F.

C12H21N

Suppliers	Catalog Number
ChemBridge	4100380
Matrix Scientific	038015

Database	Data ID
PubChem	64245

M. W.

179.30184

CAS

26482-53-1

Similarity

N/A

ID: 35243

1-(3-aminopropoxy)adamantane

$$$$ Data

M. F.

C13H23NO

Suppliers	Catalog Number
Matrix Scientific	038016

Database	Data ID
PubChem	303816

M. W.

209.32782

CAS

21624-07-7

Similarity

N/A

ID: 35244

2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]acetic acid

$$$$ Data

M. F.

C15H14FNO3

Suppliers	Catalog Number
Matrix Scientific	038017

Database	Data ID
PubChem	25219636

M. W.

275.2749632

CAS

Similarity

N/A

ID: 35245

ethyl 3-amino-5,6-dimethoxy-1H-indole-2-carboxylate

$$$$ Data

M. F.

C13H16N2O4

Suppliers	Catalog Number
Matrix Scientific	038018
InterBioScreen	BB_SC-4038

Database	Data ID
PubChem	942254

M. W.

264.27714

CAS

Similarity

N/A

ID: 35246

5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazine

$$$$ Data

M. F.

C9H8N6

Suppliers	Catalog Number
Matrix Scientific	038019
Apollo Scientific	OR13492
InterBioScreen	BB_SC-0085

Database	Data ID
PubChem	5750482

M. W.

200.20002

CAS

Similarity

N/A

ID: 35247

3-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)propanoic acid

$$$$ Data

M. F.

C16H17NO3

Suppliers	Catalog Number
Matrix Scientific	038020

Database	Data ID
PubChem	15877244

M. W.

271.31108

CAS

Similarity

N/A

ID: 35248

1-(4-methyl-3-nitro-1H-pyrazol-1-yl)butan-2-one

$$$$ Data

M. F.

C8H11N3O3

Suppliers	Catalog Number
Matrix Scientific	038021

Database	Data ID
PubChem	25219637

M. W.

197.19124

CAS

Similarity

N/A

ID: 35249

2-{[(tert-butoxy)carbonyl]amino}-3-{[(4-methylphenyl)methyl]sulfanyl}propanoic a...

$$$$ Data

M. F.

C16H23NO4S

Suppliers	Catalog Number
Matrix Scientific	038022

Database	Data ID
PubChem	333433

M. W.

325.42312

CAS

61925-78-8

Similarity

N/A

ID: 35250

bicyclo[2.2.1]hept-5-en-2-ylmethanamine

$$$$ Data

M. F.

C8H13N

Suppliers	Catalog Number
Matrix Scientific	038023
InterBioScreen	BB_SC-4750
Bide Pharmatech	BD23233

Database	Data ID
PubChem	247182

M. W.

123.19552

CAS

95-10-3

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