Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H9FO2

Suppliers	Catalog Number
Apollo Scientific	PC7609
A&J Pharmtech	AJA-O6132

Database	Data ID
PubChem	2737354

M. W.

168.1649632

CAS

74457-86-6

Similarity

N/A

ID: 99702

2,6-di-tert-butyl-4-methyl-1$l^{4}-pyran-1-ylium trifluoromethanesulfonate

$$$$ Data

M. F.

C15H23F3O4S

Suppliers	Catalog Number
Alfa Aesar	L16304
Apollo Scientific	PC7612

Database	Data ID
PubChem	2736809

M. W.

356.4009296

CAS

59643-43-5

Similarity

N/A

ID: 99703

tetrafluoroboranuide; trimethyldisulfanium

$$$$ Data

M. F.

C3H9BF4S2

Suppliers	Catalog Number
Sigma Aldrich	294063
Apollo Scientific	PC7613

Database	Data ID
PubChem	2737114

M. W.

196.0381728

CAS

5799-67-7

Similarity

N/A

ID: 99704

methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C13H8ClF3O4S2

Suppliers	Catalog Number
Maybridge	SEW03400
Apollo Scientific	PC7614

Database	Data ID
PubChem	2778708

M. W.

384.7784296

CAS

306935-98-8

Similarity

N/A

ID: 99705

4-(piperazin-1-yl)-2,6-bis(trifluoromethyl)quinoline

$$$$ Data

M. F.

C15H13F6N3

Suppliers	Catalog Number
Apollo Scientific	PC7615

Database	Data ID
PubChem	2773240

M. W.

349.2742392

CAS

Similarity

N/A

ID: 99706

4-(1,4-diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline

$$$$ Data

M. F.

C16H15F6N3

Suppliers	Catalog Number
Apollo Scientific	PC7616

Database	Data ID
PubChem	2773238

M. W.

363.3008192

CAS

Similarity

N/A

ID: 99707

2,3-bis(4-fluorophenyl)-5-phenyl-3H-1,2$l^{5},3,4-tetrazol-2-ylium chloride

$$$$ Data

M. F.

C19H13ClF2N4

Suppliers	Catalog Number
Apollo Scientific	PC7618

Database	Data ID
PubChem	2736032

M. W.

370.7831264

CAS

Similarity

N/A

ID: 99708

3-(heptadecafluorooctyl)-5-methyl-1H-pyrazole

$$$$ Data

M. F.

C12H5F17N2

Suppliers	Catalog Number
Apollo Scientific	PC7642

Database	Data ID
PubChem	2776320

M. W.

500.1543544

CAS

Similarity

N/A

ID: 99709

6-bromo-3-chloro-2,4-difluoroaniline

$$$$ Data

M. F.

C6H3BrClF2N

Suppliers	Catalog Number
Apollo Scientific	PC7648

Database	Data ID
PubChem	2773254

M. W.

242.4485264

CAS

201849-12-9

Similarity

N/A

ID: 99710

1-(4-fluorophenoxy)-4-iodobenzene

$$$$ Data

M. F.

C12H8FIO

Suppliers	Catalog Number
Apollo Scientific	PC7649

Database	Data ID
PubChem	2782759

M. W.

314.0941932

CAS

Similarity

N/A

ID: 99711

2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-1,3,5,7,2,4,6,8-tetr...

$$$$ Data

M. F.

C16H28F12O4Si4

Suppliers	Catalog Number
Apollo Scientific	PC7651

Database	Data ID
PubChem	67934

M. W.

624.7139584

CAS

Similarity

N/A

ID: 99712

1-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]ethan-1-one

$$$$ Data

M. F.

C9H8F3NO

Suppliers	Catalog Number
Apollo Scientific	PC7652

Database	Data ID
PubChem	2782900

M. W.

203.1611296

CAS

205582-83-8

Similarity

N/A

ID: 99713

3-fluorobenzene-1-carbothioamide

$$$$ Data

M. F.

C7H6FNS

Suppliers	Catalog Number
Apollo Scientific	PC7653
Enamine	EN300-09491
A&J Pharmtech	AJA-O32252

Database	Data ID
PubChem	2782800

M. W.

155.1926432

CAS

72505-20-5

Similarity

N/A

ID: 99714

2-N-(2,4-difluorophenyl)-1,3,5-triazine-2,4-diamine

$$$$ Data

M. F.

C9H7F2N5

Suppliers	Catalog Number
Apollo Scientific	PC7655

Database	Data ID
PubChem	2782901

M. W.

223.1821864

CAS

Similarity

N/A

ID: 99715

3-[2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentyl]propanoic acid

$$$$ Data

M. F.

C9H5F11O2

Suppliers	Catalog Number
Apollo Scientific	PC7658

Database	Data ID
PubChem	2775895

M. W.

354.1172352

CAS

Similarity

N/A

ID: 99716

[3-(dimethylamino)-2-fluorophenyl](trifluoromethyl)silanylidene

$$$$ Data

M. F.

C9H9F4NSi

Suppliers	Catalog Number
Apollo Scientific	PC7665

Database	Data ID
PubChem	44717701

M. W.

235.2535728

CAS

Similarity

N/A

ID: 99717

4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}aniline

$$$$ Data

M. F.

C12H9F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC7667

Database	Data ID
PubChem	28875328

M. W.

254.2078696

CAS

Similarity

N/A

ID: 99718

4,4,4-trifluoro-3-methylbut-2-enoic acid

$$$$ Data

M. F.

C5H5F3O2

Suppliers	Catalog Number
Sigma Aldrich	439495
Alfa Aesar	L03816
Apollo Scientific	PC7668

Database	Data ID
PubChem	5463458

M. W.

154.0872096

CAS

93404-33-2

Similarity

N/A

ID: 99719

1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

$$$$ Data

M. F.

C4HF9

Suppliers	Catalog Number
Apollo Scientific	PC7670D

Database	Data ID
PubChem	136226

M. W.

220.0363688

CAS

382-24-1

Similarity

N/A

ID: 99720

1,5-difluoro-3-methoxy-2-nitrobenzene

$$$$ Data

M. F.

C7H5F2NO3

Suppliers	Catalog Number
Apollo Scientific	PC7672

Database	Data ID
PubChem	10330129

M. W.

189.1163064

CAS

66684-61-5

Similarity

N/A

ID: 99721

1-[2,4-difluoro-3-(trifluoromethyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H5F5O

Suppliers	Catalog Number
Apollo Scientific	PC7673

Database	Data ID
PubChem	45933768

M. W.

224.127416

CAS

Similarity

N/A

ID: 99722

2-bromo-1-[2,4-difluoro-3-(trifluoromethyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H4BrF5O

Suppliers	Catalog Number
Apollo Scientific	PC7675

Database	Data ID
PubChem	45933769

M. W.

303.023476

CAS

Similarity

N/A

ID: 99723

2-(chlorodifluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H5ClF2N2

Suppliers	Catalog Number
Apollo Scientific	PC7677
A&J Pharmtech	AJA-O12752

Database	Data ID
PubChem	3869451

M. W.

202.5885064

CAS

14468-38-3

Similarity

N/A

ID: 99724

2-(2,2,2-trifluoroethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C9H7F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7678

Database	Data ID
PubChem	43132190

M. W.

200.1604896

CAS

105942-28-7

Similarity

N/A

ID: 99725

2-(1,1,2,2-tetrafluoroethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C9H6F4N2

Suppliers	Catalog Number
Apollo Scientific	PC7679

Database	Data ID
PubChem	2853060

M. W.

218.1509528

CAS

61532-00-1

Similarity

N/A

ID: 99726

2-(3,3,3-trifluoropropyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C10H9F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7682

Database	Data ID
PubChem	45933770

M. W.

214.1870696

CAS

Similarity

N/A

ID: 99727

tetradecafluorohept-2-ene

$$$$ Data

M. F.

C7F14

Suppliers	Catalog Number
Apollo Scientific	PC7688

Database	Data ID
PubChem	2778718

M. W.

350.0525448

CAS

1582-32-7

Similarity

N/A

ID: 99728

2-bromo-1-(2-fluorophenyl)propan-1-one

$$$$ Data

M. F.

C9H8BrFO

Suppliers	Catalog Number
Apollo Scientific	PC7689

Database	Data ID
PubChem	22111334

M. W.

231.0616232

CAS

Similarity

N/A

ID: 99729

2-[4-(difluoromethoxy)phenyl]acetic acid

$$$$ Data

M. F.

C9H8F2O3

Suppliers	Catalog Number
Apollo Scientific	PC7690
Enamine	EN300-13339

Database	Data ID
PubChem	2774127

M. W.

202.1548264

CAS

243659-15-6

Similarity

N/A

ID: 99730

1-(4-iodophenyl)-3,5-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C14H7F6I

Suppliers	Catalog Number
Apollo Scientific	PC7691

Database	Data ID
PubChem	2782760

M. W.

416.1002692

CAS

Similarity

N/A

ID: 99731

7-chloro-2,5-bis(trifluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C9H3ClF6N2

Suppliers	Catalog Number
Apollo Scientific	PC7695

Database	Data ID
PubChem	45933771

M. W.

288.5769392

CAS

Similarity

N/A

ID: 99732

6-methyl-2-(trifluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C9H7F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7697

Database	Data ID
PubChem	120229

M. W.

200.1604896

CAS

Similarity

N/A

ID: 99733

N-[2-bromo-4-(trifluoromethoxy)phenyl]formamide

$$$$ Data

M. F.

C8H5BrF3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7704

Database	Data ID
PubChem	26986073

M. W.

284.0300096

CAS

Similarity

N/A

ID: 99734

(8-fluoro-2-methylquinolin-7-yl)boronic acid

$$$$ Data

M. F.

C10H9BFNO2

Suppliers	Catalog Number
Apollo Scientific	PC7706
Bide Pharmatech	BD229310

Database	Data ID
PubChem	44717689

M. W.

204.9933632

CAS

957035-06-2

Similarity

N/A

ID: 99735

(5-fluoro-2-methoxypyridin-3-yl)boronic acid

$$$$ Data

M. F.

C6H7BFNO3

Suppliers	Catalog Number
Apollo Scientific	PC7707
A&J Pharmtech	AJA-O29407

Database	Data ID
PubChem	44717691

M. W.

170.9340832

CAS

957120-32-0

Similarity

N/A

ID: 99736

2-bromo-1-(5-bromo-2-fluorophenyl)propan-1-one

$$$$ Data

M. F.

C9H7Br2FO

Suppliers	Catalog Number
Apollo Scientific	PC7708

Database	Data ID
PubChem	51342053

M. W.

309.9576832

CAS

Similarity

N/A

ID: 99737

2-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid

$$$$ Data

M. F.

C10H10F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7713X

Database	Data ID
PubChem	2777597

M. W.

233.1871096

CAS

3832-73-3

Similarity

N/A

ID: 99738

2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid

$$$$ Data

M. F.

C10H10F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7714M

Database	Data ID
PubChem	2777602

M. W.

233.1871096

CAS

63701-37-1

Similarity

N/A

ID: 99739

1-isocyanato-2-(trifluoromethyl)benzene

$$$$ Data More

M. F.

C8H4F3NO

Suppliers	Catalog Number
Sigma Aldrich	159379
MP Biomedicals	05223091
Alfa Aesar	L11156

Database	Data ID
PubChem	16794

M. W.

187.1186696

CAS

2285-12-3

Similarity

N/A

ID: 99740

2-(5-fluoro-2-methoxyphenyl)acetic acid

$$$$ Data

M. F.

C9H9FO3

Suppliers	Catalog Number
Alfa Aesar	H32757
Apollo Scientific	PC7723
Chemik	CHB15671

Database	Data ID
PubChem	302684

M. W.

184.1643632

CAS

383134-85-8

Similarity

N/A

ID: 99741

5-bromo-2-fluorobenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C6H3BrClFO2S

Suppliers	Catalog Number
Apollo Scientific	PC7725
Enamine	EN300-61369

Database	Data ID
PubChem	43555587

M. W.

273.5072232

CAS

339370-40-0

Similarity

N/A

ID: 99742

5-(trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data More

M. F.

C9H4F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7726
Enamine	EN300-53725
Bide Pharmatech	BD11449

Database	Data ID
PubChem	12351496

M. W.

215.1287696

CAS

345-32-4

Similarity

N/A

ID: 99743

5-(trifluoromethyl)-1H-1,3-benzodiazol-2-amine

$$$$ Data

M. F.

C8H6F3N3

Suppliers	Catalog Number
Apollo Scientific	PC7729
Enamine	EN300-122268
A&J Pharmtech	AJA-O29542

Database	Data ID
PubChem	11644107

M. W.

201.1485496

CAS

10057-46-2

Similarity

N/A

ID: 99744

1-isocyanato-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H4F3NO

Suppliers	Catalog Number
Apollo Scientific	PC7731
A&J Pharmtech	AJA-O38210

Database	Data ID
PubChem	73768

M. W.

187.1186696

CAS

1548-13-6

Similarity

N/A

ID: 99745

(5-fluoro-2-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H9FO2

Suppliers	Catalog Number
Alfa Aesar	H32256
Apollo Scientific	PC7735
Chemik	CHB63221

Database	Data ID
PubChem	22014996

M. W.

156.1542632

CAS

426831-32-5

Similarity

N/A

ID: 99746

undecafluorohexanenitrile

$$$$ Data

M. F.

C6F11N

Suppliers	Catalog Number
Apollo Scientific	PC7736

Database	Data ID
PubChem	13568447

M. W.

295.0533352

CAS

23790-49-0

Similarity

N/A

ID: 99747

2,2,3,3,4,4,4-heptafluoro-N-(heptafluorobutanimidoyl)butanimidamide

$$$$ Data

M. F.

C8H3F14N3

Suppliers	Catalog Number
Apollo Scientific	PC7738

Database	Data ID
PubChem	415574

M. W.

407.1071648

CAS

648-13-5

Similarity

N/A

ID: 99748

1-isothiocyanato-2-(trifluoromethyl)benzene

$$$$ Data More

M. F.

C8H4F3NS

Suppliers	Catalog Number
Sigma Aldrich	474827
Alfa Aesar	L10586
Maybridge	SB01593

Database	Data ID
PubChem	737162

M. W.

203.1842696

CAS

1743-86-8

Similarity

N/A

ID: 99749

4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide

$$$$ Data

M. F.

C15H9F6NO

Suppliers	Catalog Number
Apollo Scientific	PC7742

Database	Data ID
PubChem	2777732

M. W.

333.2284792

CAS

Similarity

N/A

ID: 99750

ethyl N-[4-(trifluoromethyl)phenyl]carbamate

$$$$ Data

M. F.

C10H10F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7744

Database	Data ID
PubChem	2777737

M. W.

233.1871096

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