Chembase list of 866358 unique molecular structures

2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]acetic acid

$$$$ Data

M. F.

C11H8FNO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5121

Database	Data ID
PubChem	17571655

M. W.

237.2501232

CAS

Similarity

N/A

ID: 122752

(4R)-2-[3-(difluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

$$$$ Data

M. F.

C11H11F2NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5123

Database	Data ID
PubChem	17571656

M. W.

275.2717464

CAS

Similarity

N/A

ID: 122753

(4R)-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

$$$$ Data

M. F.

C11H12FNO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5124

Database	Data ID
PubChem	17571657

M. W.

257.2812832

CAS

Similarity

N/A

ID: 122754

trimethyl-1H-pyrazole-4-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C6H10Cl2N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5126

Database	Data ID
PubChem	51051877

M. W.

245.1268

CAS

Similarity

N/A

ID: 122755

5,7-dimethyl-2-(thiophen-2-yl)-1,3-diazatricyclo[3.3.1.1³,⁷

$$$$ Data

M. F.

C14H21N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5127

Database	Data ID
PubChem	17602949

M. W.

263.40164

CAS

Similarity

N/A

ID: 122756

3-{2,5,7-trimethyl-1,3-diazatricyclo[3.3.1.1³,⁷]decan-2-yl...

$$$$ Data

M. F.

C17H25N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5128

Database	Data ID
PubChem	17598282

M. W.

271.4005

CAS

Similarity

N/A

ID: 122757

(2-phenylethyl)(2,2,2-trifluoroethyl)amine

$$$$ Data

M. F.

C10H12F3N

Suppliers	Catalog Number
InterBioScreen	BB_SC-5134

Database	Data ID
PubChem	13555607

M. W.

203.2041896

CAS

Similarity

N/A

ID: 122758

[2-(3,4-dimethoxyphenyl)ethyl](2,2,2-trifluoroethyl)amine

$$$$ Data

M. F.

C12H16F3NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5135

Database	Data ID
PubChem	12572873

M. W.

263.2561496

CAS

Similarity

N/A

ID: 122759

4-methyl-2-(phenylamino)pyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C12H11N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5145

Database	Data ID
PubChem	16653153

M. W.

229.23464

CAS

Similarity

N/A

ID: 122760

1-{13-methyl-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2,4,...

$$$$ Data

M. F.

C13H11N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5146

Database	Data ID
PubChem	16641386

M. W.

225.24594

CAS

Similarity

N/A

ID: 122761

ethyl 2-carbamimidamido-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C8H12N4O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5147

Database	Data ID
PubChem	16641405

M. W.

228.27148

CAS

Similarity

N/A

ID: 122762

2-(quinolin-8-yloxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C15H10N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5149

Database	Data ID
PubChem	42481049

M. W.

266.2515

CAS

Similarity

N/A

ID: 122763

2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid

$$$$ Data

M. F.

C6H6N2O4

Suppliers	Catalog Number
ChemBridge	4000130
InterBioScreen	BB_SC-5150
Enamine	EN300-11202

Database	Data ID
PubChem	229302

M. W.

170.12284

CAS

10158-72-2

Similarity

N/A

ID: 122764

6-(4-methoxyphenyl)-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C12H10N2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5152

Database	Data ID
PubChem	9079372

M. W.

246.2188

CAS

Similarity

N/A

ID: 122765

2-oxo-1,2,5,6,7,8-hexahydroquinazoline-4-carboxylic acid

$$$$ Data

M. F.

C9H10N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5154

Database	Data ID
PubChem	3013978

M. W.

194.1873

CAS

Similarity

N/A

ID: 122766

2-(4-chlorobenzenesulfonyl)-2-(furan-2-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C12H13Cl2NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5161

Database	Data ID
PubChem	22694242

M. W.

322.20752

CAS

Similarity

N/A

ID: 122767

2-(4-aminophenyl)-1λ⁶,2-thiazolidine-1,1-dione

$$$$ Data

M. F.

C9H12N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5162
Enamine	EN300-26168
Bide Pharmatech	BD231114

Database	Data ID
PubChem	11816685

M. W.

212.26878

CAS

90556-91-5

Similarity

N/A

ID: 122768

2-chloro-4-(1,1-dioxo-1λ⁶,2-thiazinan-2-yl)benzoic acid

$$$$ Data

M. F.

C11H12ClNO4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5163

Database	Data ID
PubChem	16642521

M. W.

289.73528

CAS

Similarity

N/A

ID: 122769

4-(2,5-dioxopyrrolidin-1-yl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H8ClNO4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5165

Database	Data ID
PubChem	12571324

M. W.

273.69282

CAS

Similarity

N/A

ID: 122770

5-(2,5-dioxopyrrolidin-1-yl)-2-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C11H10ClNO5S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5166

Database	Data ID
PubChem	16642656

M. W.

303.7188

CAS

Similarity

N/A

ID: 122771

5-(2,6-dioxopiperidin-1-yl)-2-methoxybenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C12H12ClNO5S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5167

Database	Data ID
PubChem	16642662

M. W.

317.74538

CAS

Similarity

N/A

ID: 122772

2-(2-imino-2,3-dihydro-1,3-thiazol-3-yl)acetic acid

$$$$ Data

M. F.

C5H6N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5170
Enamine	EN300-07365

Database	Data ID
PubChem	676412

M. W.

158.17834

CAS

23576-80-9

Similarity

N/A

ID: 122773

2-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid

$$$$ Data

M. F.

C8H6F3NO3

Suppliers	Catalog Number
ChemBridge	6241179
InterBioScreen	BB_SC-5176
Enamine	EN300-00862

Database	Data ID
PubChem	702585

M. W.

221.1333496

CAS

308294-33-9

Similarity

N/A

ID: 122774

2-[(furan-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H19N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5178

Database	Data ID
PubChem	17601064

M. W.

237.29816

CAS

Similarity

N/A

ID: 122775

N-benzyl-2-(methylamino)acetamide

$$$$ Data

M. F.

C10H14N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5179
Enamine	EN300-81792

Database	Data ID
PubChem	9815393

M. W.

178.23096

CAS

Similarity

N/A

ID: 122776

2-[(2-methoxyethyl)amino]acetonitrile

$$$$ Data

M. F.

C5H10N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5180

Database	Data ID
PubChem	21872496

M. W.

114.1457

CAS

Similarity

N/A

ID: 122777

4-(2-methyl-1,3-thiazol-4-yl)aniline dihydrochloride

$$$$ Data

M. F.

C10H12Cl2N2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5183
Enamine	EN300-14535

Database	Data ID
PubChem	16339639

M. W.

263.18668

CAS

25021-49-2

Similarity

N/A

ID: 122778

methyl 3-(3-aminopropanamido)benzoate hydrochloride

$$$$ Data

M. F.

C11H15ClN2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5186

Database	Data ID
PubChem	45371080

M. W.

258.7014

CAS

Similarity

N/A

ID: 122779

methyl 4-(3-aminopropanamido)benzoate hydrochloride

$$$$ Data

M. F.

C11H15ClN2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5187

Database	Data ID
PubChem	45370290

M. W.

258.7014

CAS

Similarity

N/A

ID: 122780

2-(propan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol

$$$$ Data

M. F.

C12H12N4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5188

Database	Data ID
PubChem	16653110

M. W.

244.31548

CAS

Similarity

N/A

ID: 122781

2-(methoxymethyl)-[1,2,4]triazolo[1,5-c]quinazoline-5-thiol

$$$$ Data

M. F.

C11H10N4OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-5196

Database	Data ID
PubChem	16653112

M. W.

246.2883

CAS

Similarity

N/A

ID: 122782

(2S)-2-({5-ethyl-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-7-yl}formamido)-4-(m...

$$$$ Data

M. F.

C18H20N2O6S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5197 STOCK1N-72074

Database	Data ID
PubChem	8022640

M. W.

392.4262

CAS

Similarity

N/A

ID: 122783

4-oxo-4-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}butanoic acid

$$$$ Data

M. F.

C18H26N2O6

Suppliers	Catalog Number
InterBioScreen	BB_SC-5201

Database	Data ID
PubChem	28284339

M. W.

366.40884

CAS

Similarity

N/A

ID: 122784

5-oxo-5-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}pentanoic acid

$$$$ Data

M. F.

C19H28N2O6

Suppliers	Catalog Number
InterBioScreen	BB_SC-5202

Database	Data ID
PubChem	28284341

M. W.

380.43542

CAS

Similarity

N/A

ID: 122785

2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]acetic acid

$$$$ Data

M. F.

C11H7Cl2NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5203

Database	Data ID
PubChem	42481060

M. W.

288.14978

CAS

Similarity

N/A

ID: 122786

2-{2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl}acetic acid

$$$$ Data

M. F.

C12H8F3NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5205

Database	Data ID
PubChem	42481062

M. W.

303.2570296

CAS

Similarity

N/A

ID: 122787

4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C12H8F3NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5206

Database	Data ID
PubChem	10685825

M. W.

303.2570296

CAS

Similarity

N/A

ID: 122788

1-methyl-3-(methylamino)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C6H8N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5207

Database	Data ID
PubChem	4512325

M. W.

140.13992

CAS

Similarity

N/A

ID: 122789

3-(5-amino-3-phenyl-1H-pyrazol-1-yl)-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C13H15N3O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5208

Database	Data ID
PubChem	16770050

M. W.

277.3421

CAS

Similarity

N/A

ID: 122790

1-methyl-2-(2-phenylethyl)-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C16H19Cl2N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5213

Database	Data ID
PubChem	45370150

M. W.

324.24816

CAS

Similarity

N/A

ID: 122791

1-(3-chlorophenyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C11H8ClNO

Suppliers	Catalog Number
ChemBridge	4302048
InterBioScreen	BB_SC-5216

Database	Data ID
PubChem	3710040

M. W.

205.64032

CAS

86454-33-3

Similarity

N/A

ID: 122792

1-[2-(methylsulfanyl)phenyl]-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C12H11NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-5217

Database	Data ID
PubChem	4297575

M. W.

217.28684

CAS

Similarity

N/A

ID: 122793

1-(2-methoxyethyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
ChemBridge	4030933
InterBioScreen	BB_SC-5218 STOCK1N-72136

Database	Data ID
PubChem	17621005

M. W.

153.17844

CAS

573720-38-4

Similarity

N/A

ID: 122794

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

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
ChemBridge	4028428
InterBioScreen	BB_SC-5219 STOCK1N-72096

Database	Data ID
PubChem	17605424

M. W.

179.21572

CAS

932186-29-3

Similarity

N/A

ID: 122795

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

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
ChemBridge	4027331
InterBioScreen	BB_SC-5220 STOCK1N-71857

Database	Data ID
PubChem	529880

M. W.

175.18396

CAS

13788-32-4

Similarity

N/A

ID: 122796

(4-chlorophenyl)hydrazine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5223

Database	Data ID
PubChem	70624

M. W.

142.58618

CAS

Similarity

N/A

ID: 122797

5-amino-2-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenol

$$$$ Data

M. F.

C12H9N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5225

Database	Data ID
PubChem	5423123

M. W.

227.21876

CAS

Similarity

N/A

ID: 122798

5-chloro-2,1,3-benzoxadiazol-4-amine

$$$$ Data

M. F.

C6H4ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5226

Database	Data ID
PubChem	42481074

M. W.

169.56846

CAS

Similarity

N/A

ID: 122799

7-chloro-2,1,3-benzoxadiazol-4-amine

$$$$ Data

M. F.

C6H4ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5227

Database	Data ID
PubChem	21875167

M. W.

169.56846

CAS

Similarity

N/A

ID: 122800

3-(3-amino-4-methoxyphenyl)-2H-chromen-2-one

$$$$ Data

M. F.

C16H13NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5231

Database	Data ID
PubChem	952398

M. W.

267.27932

CAS

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