Chembase list of 866358 unique molecular structures

3-{[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoic acid

$$$$ Data

M. F.

C14H10F4N2O2S

Suppliers	Catalog Number
Matrix Scientific	040868

Database	Data ID
PubChem	19619645

M. W.

346.3000128

CAS

Similarity

N/A

ID: 38052

5-(1H-1,2,3,4-tetrazol-1-yl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C5H4N6O2

Suppliers	Catalog Number
ChemBridge	4006024
Matrix Scientific	040869

Database	Data ID
PubChem	4774203

M. W.

180.12426

CAS

1039008-40-6

Similarity

N/A

ID: 38053

ethyl 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

$$$$ Data

M. F.

C16H13F2N3O2

Suppliers	Catalog Number
Matrix Scientific	040871

Database	Data ID
PubChem	3626150

M. W.

317.2901264

CAS

Similarity

N/A

ID: 38054

2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
ChemBridge	3002792
Matrix Scientific	040872
Enamine	EN300-50393

Database	Data ID
PubChem	25220809

M. W.

191.18666

CAS

1011355-87-5

Similarity

N/A

ID: 38055

5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C8H5F4N3

Suppliers	Catalog Number
Matrix Scientific	040873

Database	Data ID
PubChem	4765680

M. W.

219.1390128

CAS

Similarity

N/A

ID: 38056

7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C14H8F3N3O2

Suppliers	Catalog Number
Matrix Scientific	040874

Database	Data ID
PubChem	974424

M. W.

307.2274296

CAS

Similarity

N/A

ID: 38057

ethyl 7-(difluoromethyl)-5-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbox...

$$$$ Data

M. F.

C16H17F2N3O2

Suppliers	Catalog Number
Matrix Scientific	040875

Database	Data ID
PubChem	5741884

M. W.

321.3218864

CAS

Similarity

N/A

ID: 38058

ethyl 3-{[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}propanoate

$$$$ Data

M. F.

C16H15F3N2O2S

Suppliers	Catalog Number
Matrix Scientific	040876

Database	Data ID
PubChem	1152744

M. W.

356.3627096

CAS

Similarity

N/A

ID: 38059

ethyl 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetate

$$$$ Data

M. F.

C8H10BrN3O4

Suppliers	Catalog Number
Matrix Scientific	040877

Database	Data ID
PubChem	771924

M. W.

292.0867

CAS

Similarity

N/A

ID: 38060

ethyl 5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxy...

$$$$ Data

M. F.

C17H14F3N3O3

Suppliers	Catalog Number
Matrix Scientific	040878

Database	Data ID
PubChem	1011449

M. W.

365.3065696

CAS

Similarity

N/A

ID: 38061

ethyl 3-amino-1H-pyrazole-5-carboxylate

$$$$ Data More

M. F.

C6H9N3O2

Suppliers	Catalog Number
Matrix Scientific	040879
Enamine	EN300-56947
Bide Pharmatech	BD129040

Database	Data ID
PubChem	4321844

M. W.

155.15456

CAS

105434-90-0

Similarity

N/A

ID: 38062

ethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin...

$$$$ Data

M. F.

C14H14F3N3O2S

Suppliers	Catalog Number
Matrix Scientific	040880

Database	Data ID
PubChem	6093945

M. W.

345.3400696

CAS

Similarity

N/A

ID: 38063

ethyl 4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoa...

$$$$ Data

M. F.

C18H19F3N2O5S

Suppliers	Catalog Number
Matrix Scientific	040881

Database	Data ID
PubChem	25220810

M. W.

432.4140696

CAS

Similarity

N/A

ID: 38064

pyrazolo[1,5-a]pyrimidine-3-carbonitrile

$$$$ Data

M. F.

C7H4N4

Suppliers	Catalog Number
Alfa Aesar	H58380
Matrix Scientific	040882

Database	Data ID
PubChem	819275

M. W.

144.13346

CAS

25939-87-1

Similarity

N/A

ID: 38065

methyl 5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

$$$$ Data

M. F.

C13H8F3N3O3

Suppliers	Catalog Number
Matrix Scientific	040883

Database	Data ID
PubChem	25220811

M. W.

311.2161296

CAS

Similarity

N/A

ID: 38066

ethyl 2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetate

$$$$ Data

M. F.

C13H11F3N2O2S2

Suppliers	Catalog Number
Matrix Scientific	040884

Database	Data ID
PubChem	777578

M. W.

348.3638496

CAS

Similarity

N/A

ID: 38067

ethyl 2-{[1,2,4]triazolo[1,5-a]pyrimidin-2-ylformamido}acetate

$$$$ Data

M. F.

C10H11N5O3

Suppliers	Catalog Number
Matrix Scientific	040886

Database	Data ID
PubChem	4299604

M. W.

249.22604

CAS

Similarity

N/A

ID: 38068

ethyl 5-(furan-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3...

$$$$ Data

M. F.

C14H14F3N3O3

Suppliers	Catalog Number
Matrix Scientific	040887

Database	Data ID
PubChem	6093940

M. W.

329.2744696

CAS

Similarity

N/A

ID: 38069

methyl 2,4-dioxo-4-(thiophen-2-yl)butanoate

$$$$ Data More

M. F.

C9H8O4S

Suppliers	Catalog Number
Matrix Scientific	040888
Apollo Scientific	OR01544
Life Chemicals	F1673-1679

Database	Data ID
PubChem	2771673

M. W.

212.22242

CAS

57409-51-5

Similarity

N/A

ID: 38070

methyl 4-(1,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Matrix Scientific	040889

Database	Data ID
PubChem	17024819

M. W.

224.21328

CAS

Similarity

N/A

ID: 38071

1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl chloride

$$$$ Data

M. F.

C6H4ClF3N2O

Suppliers	Catalog Number
Matrix Scientific	040890

Database	Data ID
PubChem	14770607

M. W.

212.5569696

CAS

Similarity

N/A

ID: 38072

4-chloro-1-ethyl-1H-pyrazole-3-carbonyl chloride

$$$$ Data

M. F.

C6H6Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	040891

Database	Data ID
PubChem	25220812

M. W.

193.03064

CAS

Similarity

N/A

ID: 38073

4-bromo-1-methyl-1H-pyrazole-5-carbonyl chloride

$$$$ Data

M. F.

C5H4BrClN2O

Suppliers	Catalog Number
Matrix Scientific	040892

Database	Data ID
PubChem	19619554

M. W.

223.45506

CAS

Similarity

N/A

ID: 38074

4-chloro-1-ethyl-1H-pyrazole-5-carbonyl chloride

$$$$ Data

M. F.

C6H6Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	040893

Database	Data ID
PubChem	25220813

M. W.

193.03064

CAS

Similarity

N/A

ID: 38075

5-ethyl-1,2-oxazole-3-carbonyl chloride

$$$$ Data

M. F.

C6H6ClNO2

Suppliers	Catalog Number
Matrix Scientific	040894

Database	Data ID
PubChem	20072741

M. W.

159.57034

CAS

Similarity

N/A

ID: 38076

5-cyclopropyl-1,2-oxazole-3-carbonyl chloride

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Matrix Scientific	040895

Database	Data ID
PubChem	25220814

M. W.

171.58104

CAS

Similarity

N/A

ID: 38077

dimethyl-1,2-oxazole-4-carbonyl chloride

$$$$ Data More

M. F.

C6H6ClNO2

Suppliers	Catalog Number
Alfa Aesar	H50695
Matrix Scientific	040896
Maybridge	CC00602

Database	Data ID
PubChem	2736265

M. W.

159.57034

CAS

31301-45-8

Similarity

N/A

ID: 38078

5-(propan-2-yl)-1,2-oxazole-3-carbonyl chloride

$$$$ Data

M. F.

C7H8ClNO2

Suppliers	Catalog Number
Matrix Scientific	040897
A&J Pharmtech	AJA-O12970 AJA-O11245

Database	Data ID
PubChem	25220815

M. W.

173.59692

CAS

53064-56-5

Similarity

N/A

ID: 38079

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C5H11ClN2O

Suppliers	Catalog Number
Matrix Scientific	040898

Database	Data ID
PubChem	46737050

M. W.

150.60664

CAS

1185301-13-6

Similarity

N/A

ID: 38080

5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C7H13N3S

Suppliers	Catalog Number
ChemBridge	7222321
Matrix Scientific	040899

Database	Data ID
PubChem	795351

M. W.

171.26322

CAS

89881-38-9

Similarity

N/A

ID: 38081

3-(phenylformamido)propanoic acid

$$$$ Data More

M. F.

C10H11NO3

Suppliers	Catalog Number
Selleck Chemicals	S4191
Sigma Aldrich	B2879
Matrix Scientific	040900

Database	Data ID
PubChem	71651

M. W.

193.19924

CAS

3440-28-6

Similarity

N/A

ID: 38082

4-(2-methylbutanamido)benzoic acid

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Matrix Scientific	040901

Database	Data ID
PubChem	16489207

M. W.

221.2524

CAS

Similarity

N/A

ID: 38083

4-propanamidobenzoic acid

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
ChemBridge	7106535
Matrix Scientific	040902

Database	Data ID
PubChem	4777952

M. W.

193.19924

CAS

19313-85-0

Similarity

N/A

ID: 38084

4-(1-tert-butyl-5-oxopyrrolidine-3-amido)benzoic acid

$$$$ Data

M. F.

C16H20N2O4

Suppliers	Catalog Number
Matrix Scientific	040903

Database	Data ID
PubChem	25220816

M. W.

304.341

CAS

Similarity

N/A

ID: 38085

4-benzamidobenzoic acid

$$$$ Data

M. F.

C14H11NO3

Suppliers	Catalog Number
Matrix Scientific	040904
Enamine	EN300-28937

Database	Data ID
PubChem	252597

M. W.

241.24204

CAS

Similarity

N/A

ID: 38086

3-butanamidobenzoic acid

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
ChemBridge	5941601
Matrix Scientific	040905

Database	Data ID
PubChem	693165

M. W.

207.22582

CAS

76209-00-2

Similarity

N/A

ID: 38087

5-oxo-1-(pentan-3-yl)pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C10H17NO3

Suppliers	Catalog Number
ChemBridge	3002221
Matrix Scientific	040906
Enamine	EN300-41073

Database	Data ID
PubChem	4778108

M. W.

199.24688

CAS

944511-54-0

Similarity

N/A

ID: 38088

1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data More

M. F.

C11H10ClNO3

Suppliers	Catalog Number
ChemBridge	7113709
Matrix Scientific	040907
Apollo Scientific	OR60132

Database	Data ID
PubChem	2804434

M. W.

239.655

CAS

92847-41-1

Similarity

N/A

ID: 38089

1-(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C13H14N2O4

Suppliers	Catalog Number
Matrix Scientific	040908

Database	Data ID
PubChem	24701511

M. W.

262.26126

CAS

Similarity

N/A

ID: 38090

6-(dimethylamino)-1,2,3,4-tetrahydrophthalazine-1,4-dione

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Matrix Scientific	040909

Database	Data ID
PubChem	737734

M. W.

205.21324

CAS

Similarity

N/A

ID: 38091

6-(diethylamino)-1,2,3,4-tetrahydrophthalazine-1,4-dione

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	040910

Database	Data ID
PubChem	686342

M. W.

233.2664

CAS

Similarity

N/A

ID: 38092

6-(propylamino)-1,2,3,4-tetrahydrophthalazine-1,4-dione

$$$$ Data

M. F.

C11H13N3O2

Suppliers	Catalog Number
Matrix Scientific	040911

Database	Data ID
PubChem	25220818

M. W.

219.23982

CAS

Similarity

N/A

ID: 38093

6-[methyl(propyl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	040912

Database	Data ID
PubChem	25220819

M. W.

233.2664

CAS

Similarity

N/A

ID: 38094

6-[(propan-2-yl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione

$$$$ Data

M. F.

C11H13N3O2

Suppliers	Catalog Number
Matrix Scientific	040913

Database	Data ID
PubChem	25220820

M. W.

219.23982

CAS

Similarity

N/A

ID: 38095

5-bromo-N-(quinolin-8-yl)thiophene-2-sulfonamide

$$$$ Data

M. F.

C13H9BrN2O2S2

Suppliers	Catalog Number
Matrix Scientific	040914

Database	Data ID
PubChem	2240993

M. W.

369.25676

CAS

Similarity

N/A

ID: 38096

2-(1H-1,3-benzodiazol-2-yl)acetonitrile

$$$$ Data More

M. F.

C9H7N3

Suppliers	Catalog Number
Sigma Aldrich	B5291 12263
Alfa Aesar	L00827
Matrix Scientific	040915

Database	Data ID
PubChem	20455

M. W.

157.17198

CAS

4414-88-4

Similarity

N/A

ID: 38097

2-[2-(methylsulfanyl)-1H-1,3-benzodiazol-1-yl]propanoic acid

$$$$ Data

M. F.

C11H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	040916

Database	Data ID
PubChem	16495625

M. W.

236.29018

CAS

Similarity

N/A

ID: 38098

ethyl 2-(2-ethylpiperidin-1-yl)acetate

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Matrix Scientific	040917

Database	Data ID
PubChem	25220821

M. W.

199.28994

CAS

Similarity

N/A

ID: 38099

methyl 3-(2-ethylpiperidin-1-yl)propanoate

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Matrix Scientific	040918

Database	Data ID
PubChem	25220822

M. W.

199.28994

CAS

Similarity

N/A

ID: 38100

ethyl 2-(3,5-dimethylpiperidin-1-yl)acetate

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Matrix Scientific	040919

Database	Data ID
PubChem	22198046

M. W.

199.28994

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