Chembase list of 866358 unique molecular structures

2-chloro-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C8H6ClF3N2O2

Suppliers	Catalog Number
Apollo Scientific	PC10155

Database	Data ID
PubChem	2782645

M. W.

254.5936496

CAS

Similarity

N/A

ID: 93652

ethyl 2-(trifluoromethyl)-1,6-naphthyridine-3-carboxylate

$$$$ Data

M. F.

C12H9F3N2O2

Suppliers	Catalog Number
Apollo Scientific	PC10157

Database	Data ID
PubChem	2782647

M. W.

270.2072696

CAS

Similarity

N/A

ID: 93653

ethyl 2-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate

$$$$ Data

M. F.

C12H9F3N2O2

Suppliers	Catalog Number
Apollo Scientific	PC10158

Database	Data ID
PubChem	2782648

M. W.

270.2072696

CAS

Similarity

N/A

ID: 93654

1,1,1-trifluoropent-4-en-2-ol

$$$$ Data

M. F.

C5H7F3O

Suppliers	Catalog Number
Apollo Scientific	PC1016

Database	Data ID
PubChem	10909642

M. W.

140.1036896

CAS

77342-37-1

Similarity

N/A

ID: 93655

2-({[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methyl}sulfanyl)ethan-1-amine

$$$$ Data

M. F.

C11H13F6N3O2S

Suppliers	Catalog Number
Apollo Scientific	PC10160

Database	Data ID
PubChem	2782650

M. W.

365.2952392

CAS

Similarity

N/A

ID: 93656

4-({[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methyl}sulfanyl)aniline

$$$$ Data

M. F.

C15H13F6N3O2S

Suppliers	Catalog Number
Apollo Scientific	PC10161

Database	Data ID
PubChem	2782651

M. W.

413.3380392

CAS

Similarity

N/A

ID: 93657

methyl 2-({[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methyl}sulfanyl)acetate

$$$$ Data

M. F.

C12H12F6N2O4S

Suppliers	Catalog Number
Apollo Scientific	PC10162

Database	Data ID
PubChem	2782652

M. W.

394.2900992

CAS

Similarity

N/A

ID: 93658

2-({[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methyl}sulfanyl)acetic acid

$$$$ Data

M. F.

C11H10F6N2O4S

Suppliers	Catalog Number
Apollo Scientific	PC10163

Database	Data ID
PubChem	2782653

M. W.

380.2635192

CAS

Similarity

N/A

ID: 93659

methyl 4-{[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methoxy}benzoate

$$$$ Data

M. F.

C17H14F6N2O5

Suppliers	Catalog Number
Apollo Scientific	PC10164

Database	Data ID
PubChem	2782654

M. W.

440.2938792

CAS

Similarity

N/A

ID: 93660

4-{[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methoxy}benzoic acid

$$$$ Data

M. F.

C16H12F6N2O5

Suppliers	Catalog Number
Apollo Scientific	PC10165

Database	Data ID
PubChem	2782655

M. W.

426.2672992

CAS

Similarity

N/A

ID: 93661

4,6-dimethoxy-2-[3-(trifluoromethyl)phenyl]pyrimidine

$$$$ Data

M. F.

C13H11F3N2O2

Suppliers	Catalog Number
Apollo Scientific	PC10166

Database	Data ID
PubChem	2782656

M. W.

284.2338496

CAS

Similarity

N/A

ID: 93662

2-(2,6-difluorophenyl)-4,6-dimethoxypyrimidine

$$$$ Data

M. F.

C12H10F2N2O2

Suppliers	Catalog Number
Apollo Scientific	PC10167

Database	Data ID
PubChem	2783406

M. W.

252.2168064

CAS

Similarity

N/A

ID: 93663

1,1,1-trifluoro-2-methylpent-4-en-2-ol

$$$$ Data

M. F.

C6H9F3O

Suppliers	Catalog Number
Apollo Scientific	PC1017

Database	Data ID
PubChem	11789417

M. W.

154.1302696

CAS

73893-33-1

Similarity

N/A

ID: 93664

potassium 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)pr...

$$$$ Data

M. F.

C7F15KO5S

Suppliers	Catalog Number
Apollo Scientific	PC1018

Database	Data ID
PubChem	23671509

M. W.

520.211248

CAS

Similarity

N/A

ID: 93665

4-(difluoromethyl)benzoic acid

$$$$ Data

M. F.

C8H6F2O2

Suppliers	Catalog Number
Apollo Scientific	PC1019
Enamine	EN300-65002

Database	Data ID
PubChem	20739325

M. W.

172.1288464

CAS

55805-21-5

Similarity

N/A

ID: 93666

2-(trifluoromethyl)aniline

$$$$ Data More

M. F.

C7H6F3N

Suppliers	Catalog Number
Sigma Aldrich	A41607 07040
MP Biomedicals	05207456
Alfa Aesar	A15072

Database	Data ID
PubChem	6922

M. W.

161.1244496

CAS

88-17-5

Similarity

N/A

ID: 93667

2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyridin-3-aminium ...

$$$$ Data

M. F.

C15H15Cl2F3N5

Suppliers	Catalog Number
Apollo Scientific	PC10204

Database	Data ID
PubChem	2783010

M. W.

393.2143096

CAS

Similarity

N/A

ID: 93668

2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]anilinium chl...

$$$$ Data

M. F.

C14H14Cl2F3N4

Suppliers	Catalog Number
Apollo Scientific	PC10205

Database	Data ID
PubChem	2783011

M. W.

366.1889696

CAS

Similarity

N/A

ID: 93669

2-amino-3,3-difluoro-3-(4-methoxyphenyl)propanoic acid hydrochloride

$$$$ Data

M. F.

C10H12ClF2NO3

Suppliers	Catalog Number
Apollo Scientific	PC1022

Database	Data ID
PubChem	44717264

M. W.

267.6569864

CAS

Similarity

N/A

ID: 93670

1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]...

$$$$ Data

M. F.

C7F16O4S

Suppliers	Catalog Number
Apollo Scientific	PC1023

Database	Data ID
PubChem	14787949

M. W.

484.1119512

CAS

27744-59-8

Similarity

N/A

ID: 93671

3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylprop-2-enethioamide

$$$$ Data

M. F.

C15H18FN5S

Suppliers	Catalog Number
Apollo Scientific	PC10231

Database	Data ID
PubChem	2783037

M. W.

319.4003232

CAS

Similarity

N/A

ID: 93672

N-{[2-(3,4-difluorophenoxy)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C13H9F2NO2

Suppliers	Catalog Number
Apollo Scientific	PC10235

Database	Data ID
PubChem	9582386

M. W.

249.2128664

CAS

Similarity

N/A

ID: 93673

N-{[2-(4-chloro-3-fluorophenoxy)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C13H9ClFNO2

Suppliers	Catalog Number
Apollo Scientific	PC10236

Database	Data ID
PubChem	5709640

M. W.

265.6674632

CAS

Similarity

N/A

ID: 93674

N-({2-[3-(trifluoromethyl)phenoxy]phenyl}methylidene)hydroxylamine

$$$$ Data

M. F.

C14H10F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC10237

Database	Data ID
PubChem	5399169

M. W.

281.2299096

CAS

Similarity

N/A

ID: 93675

4-[2-(4-chloro-3-fluorophenoxy)phenyl]but-3-en-2-one

$$$$ Data

M. F.

C16H12ClFO2

Suppliers	Catalog Number
Apollo Scientific	PC10239

Database	Data ID
PubChem	6537528

M. W.

290.7166832

CAS

Similarity

N/A

ID: 93676

bis(2,2,3,3,4,4,4-heptafluorobutyl)amine

$$$$ Data

M. F.

C8H5F14N

Suppliers	Catalog Number
Apollo Scientific	PC1024

Database	Data ID
PubChem	21923764

M. W.

381.1096448

CAS

356-08-1

Similarity

N/A

ID: 93677

2-chloro-3-fluoroprop-1-ene

$$$$ Data

M. F.

C3H4ClF

Suppliers	Catalog Number
Apollo Scientific	PC1025

Database	Data ID
PubChem	44717193

M. W.

94.5152632

CAS

32804-07-2

Similarity

N/A

ID: 93678

8-nitro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

$$$$ Data

M. F.

C7H3F3N4O2

Suppliers	Catalog Number
Apollo Scientific	PC10252

Database	Data ID
PubChem	2783047

M. W.

232.1195296

CAS

Similarity

N/A

ID: 93679

1-chloro-2-fluoroprop-1-ene

$$$$ Data

M. F.

C3H4ClF

Suppliers	Catalog Number
Apollo Scientific	PC1026

Database	Data ID
PubChem	23233664

M. W.

94.5152632

CAS

430-48-8

Similarity

N/A

ID: 93680

1-fluoro-3-iodopropane

$$$$ Data

M. F.

C3H6FI

Suppliers	Catalog Number
Apollo Scientific	PC1027

Database	Data ID
PubChem	12899128

M. W.

187.9826132

CAS

462-40-8

Similarity

N/A

ID: 93681

methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)sulfanyl]benzoate

$$$$ Data

M. F.

C11H11F3O3S

Suppliers	Catalog Number
Apollo Scientific	PC10279

Database	Data ID
PubChem	2783067

M. W.

280.2634496

CAS

Similarity

N/A

ID: 93682

3-[4-(diphenylmethyl)piperazin-1-yl]-1,1,1-trifluoropropan-2-ol

$$$$ Data

M. F.

C20H23F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC10290

Database	Data ID
PubChem	2783075

M. W.

364.4046296

CAS

Similarity

N/A

ID: 93683

1,2-dibromo-1-chloro-2-fluoropropane

$$$$ Data

M. F.

C3H4Br2ClF

Suppliers	Catalog Number
Apollo Scientific	PC1032

Database	Data ID
PubChem	44717194

M. W.

254.3232632

CAS

Similarity

N/A

ID: 93684

1-{3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}piperazine

$$$$ Data

M. F.

C16H23FN2O2

Suppliers	Catalog Number
Apollo Scientific	PC10325

Database	Data ID
PubChem	2783121

M. W.

294.3644232

CAS

Similarity

N/A

ID: 93685

2-bromo-6-fluorobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C6H3BrClFO2S

Suppliers	Catalog Number
Apollo Scientific	PC10329
Enamine	EN300-104912

Database	Data ID
PubChem	2783125

M. W.

273.5072232

CAS

Similarity

N/A

ID: 93686

tert-butyl 2-fluoroprop-2-enoate

$$$$ Data

M. F.

C7H11FO2

Suppliers	Catalog Number
Apollo Scientific	PC1033

Database	Data ID
PubChem	2778141

M. W.

146.1594432

CAS

85345-86-4

Similarity

N/A

ID: 93687

2-bromo-6-fluorobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H5BrFNO2S

Suppliers	Catalog Number
Apollo Scientific	PC10330

Database	Data ID
PubChem	2783126

M. W.

254.0768032

CAS

Similarity

N/A

ID: 93688

1-bromo-3-fluoro-2-iodobenzene

$$$$ Data

M. F.

C6H3BrFI

Suppliers	Catalog Number
Apollo Scientific	PC10331

Database	Data ID
PubChem	2783127

M. W.

300.8948932

CAS

450412-29-0

Similarity

N/A

ID: 93689

(2-bromo-6-fluorophenyl)hydrazine hydrochloride

$$$$ Data

M. F.

C6H7BrClFN2

Suppliers	Catalog Number
Apollo Scientific	PC10332

Database	Data ID
PubChem	2783128

M. W.

241.4885832

CAS

Similarity

N/A

ID: 93690

(4-cyano-3-fluorophenyl)boronic acid

$$$$ Data More

M. F.

C7H5BFNO2

Suppliers	Catalog Number
Alfa Aesar	H27710
Apollo Scientific	PC10333
Bide Pharmatech	BD35066

Database	Data ID
PubChem	2783130

M. W.

164.9295032

CAS

843663-18-3

Similarity

N/A

ID: 93691

2-(4-fluorophenyl)-4,4,6-trimethyl-1,3,2-dioxaborinane

$$$$ Data

M. F.

C12H16BFO2

Suppliers	Catalog Number
Apollo Scientific	PC10338

Database	Data ID
PubChem	2783134

M. W.

222.0636432

CAS

Similarity

N/A

ID: 93692

1,2-dibromo-2-chloro-3-fluoropropane

$$$$ Data

M. F.

C3H4Br2ClF

Suppliers	Catalog Number
Apollo Scientific	PC1034

Database	Data ID
PubChem	44717195

M. W.

254.3232632

CAS

70192-60-8

Similarity

N/A

ID: 93693

4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}anilinium chloride

$$$$ Data

M. F.

C16H16Cl2F3N4

Suppliers	Catalog Number
Apollo Scientific	PC10343

Database	Data ID
PubChem	2783088

M. W.

392.2262496

CAS

Similarity

N/A

ID: 93694

(3-chloro-5-fluorophenyl)methanamine

$$$$ Data

M. F.

C7H7ClFN

Suppliers	Catalog Number
Alfa Aesar	H26284
Apollo Scientific	PC1035

Database	Data ID
PubChem	457616

M. W.

159.5885832

CAS

90390-33-3

Similarity

N/A

ID: 93695

4-hydroxy-3-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C8H4F3NO

Suppliers	Catalog Number
Apollo Scientific	PC10355

Database	Data ID
PubChem	2783159

M. W.

187.1186696

CAS

124811-71-8

Similarity

N/A

ID: 93696

4-hydroxy-2-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C8H4F3NO

Suppliers	Catalog Number
Alfa Aesar	H32158
Apollo Scientific	PC10356
A&J Pharmtech	AJA-O2903

Database	Data ID
PubChem	2783153

M. W.

187.1186696

CAS

320-42-3

Similarity

N/A

ID: 93697

4-methoxy-2-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C9H6F3NO

Suppliers	Catalog Number
Alfa Aesar	H31513
Apollo Scientific	PC10357

Database	Data ID
PubChem	2783160

M. W.

201.1452496

CAS

875664-48-5

Similarity

N/A

ID: 93698

3-(3,5-difluorophenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C10H6F2N2O

Suppliers	Catalog Number
Alfa Aesar	H26132
Apollo Scientific	PC10358

Database	Data ID
PubChem	2783157

M. W.

208.1642464

CAS

875664-59-8

Similarity

N/A

ID: 93699

2-[(6-fluoroquinolin-4-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C11H8FNO2S

Suppliers	Catalog Number
Apollo Scientific	PC103627

Database	Data ID
PubChem	26985234

M. W.

237.2501232

CAS

Similarity

N/A

ID: 93700

5-amino-1-[3-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7F3N4O2

Suppliers	Catalog Number
Apollo Scientific	PC103643

Database	Data ID
PubChem	26985241

M. W.

272.1833896

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