Chembase list of 866358 unique molecular structures

ID: 92051

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR8297
Enamine	EN300-76887
Bide Pharmatech	BD216451

Database	Data ID
PubChem	3031709

M. W.

160.17262

CAS

19181-54-5

Similarity

N/A

ID: 92052

5,8-dibromoisoquinoline

$$$$ Data

M. F.

C9H5Br2N

Suppliers	Catalog Number
Apollo Scientific	OR8298
Bide Pharmatech	BD101878
A&J Pharmtech	AJA-O7846 AJA-O8718

Database	Data ID
PubChem	271281

M. W.

286.9507

CAS

81045-39-8

Similarity

N/A

ID: 92053

1,3-dichloro-7-methylisoquinoline

$$$$ Data

M. F.

C10H7Cl2N

Suppliers	Catalog Number
Apollo Scientific	OR8299
Bide Pharmatech	BD54013

Database	Data ID
PubChem	24974715

M. W.

212.07528

CAS

21902-37-4

Similarity

N/A

ID: 92054

6-chloro-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H5ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR8300
Enamine	EN300-18467

Database	Data ID
PubChem	63206

M. W.

180.5911

CAS

16064-14-5

Similarity

N/A

ID: 92055

[(2R,3S,4S,5R)-3,4-bis(acetyloxy)-6-bromo-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2...

$$$$ Data

M. F.

C20H20BrNO9

Suppliers	Catalog Number
Apollo Scientific	OR8300T

Database	Data ID
PubChem	71299584

M. W.

498.2781

CAS

Similarity

N/A

ID: 92056

4-bromo-2-chloro-3-iodopyridine

$$$$ Data More

M. F.

C5H2BrClIN

Suppliers	Catalog Number
Sigma Aldrich	704008
Alfa Aesar	H50055
Apollo Scientific	OR8301

Database	Data ID
PubChem	42553112

M. W.

318.33755

CAS

916203-52-6

Similarity

N/A

ID: 92057

2-(dimethylamino)-5,6-dimethylpyrimidin-4-ol

$$$$ Data

M. F.

C8H13N3O

Suppliers	Catalog Number
Apollo Scientific	OR8303

Database	Data ID
PubChem	93225

M. W.

167.20832

CAS

Similarity

N/A

ID: 92058

5-(ethoxycarbonyl)-2,1,3-benzoxadiazol-1-ium-1-olate

$$$$ Data

M. F.

C9H8N2O4

Suppliers	Catalog Number
Apollo Scientific	OR8305

Database	Data ID
PubChem	736800

M. W.

208.17082

CAS

Similarity

N/A

ID: 92059

ethyl 2,1,3-benzoxadiazole-5-carboxylate

$$$$ Data

M. F.

C9H8N2O3

Suppliers	Catalog Number
Apollo Scientific	OR8306

Database	Data ID
PubChem	2736368

M. W.

192.17142

CAS

36389-07-8

Similarity

N/A

ID: 92060

3-bromo-N,N-dimethyl-5-nitrobenzamide

$$$$ Data

M. F.

C9H9BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR8307

Database	Data ID
PubChem	26967618

M. W.

273.08336

CAS

Similarity

N/A

ID: 92061

2-bromo-1-[4-(piperidin-1-yl)phenyl]ethan-1-one

$$$$ Data

M. F.

C13H16BrNO

Suppliers	Catalog Number
Apollo Scientific	OR8309

Database	Data ID
PubChem	15864546

M. W.

282.17624

CAS

210832-84-1

Similarity

N/A

ID: 92062

[4-(2-{[(benzyloxy)carbonyl]amino}ethyl)phenyl]boronic acid

$$$$ Data

M. F.

C16H18BNO4

Suppliers	Catalog Number
Apollo Scientific	OR8310
Bide Pharmatech	BD229989

Database	Data ID
PubChem	44119793

M. W.

299.12942

CAS

957034-40-1

Similarity

N/A

ID: 92063

3-bromo-5-nitrobenzamide

$$$$ Data

M. F.

C7H5BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR8311
A&J Pharmtech	AJA-O7019

Database	Data ID
PubChem	3727797

M. W.

245.0302

CAS

54321-80-1

Similarity

N/A

ID: 92064

3-bromo-N-ethyl-5-nitrobenzamide

$$$$ Data

M. F.

C9H9BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR8312

Database	Data ID
PubChem	26967620

M. W.

273.08336

CAS

Similarity

N/A

ID: 92065

7-bromo-5-chloro-1H-indazole

$$$$ Data

M. F.

C7H4BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR8313

Database	Data ID
PubChem	26967621

M. W.

231.47706

CAS

875305-86-5

Similarity

N/A

ID: 92066

2,4-dichloro-5-(propan-2-yloxy)aniline

$$$$ Data

M. F.

C9H11Cl2NO

Suppliers	Catalog Number
Alfa Aesar	L18371
Apollo Scientific	OR8314

Database	Data ID
PubChem	170476

M. W.

220.09574

CAS

41200-96-8

Similarity

N/A

ID: 92067

ethyl 1-methyl-2-sulfanyl-1H-imidazole-5-carboxylate

$$$$ Data

M. F.

C7H10N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR8315

Database	Data ID
PubChem	2736441

M. W.

186.2315

CAS

Similarity

N/A

ID: 92068

6-chloro-2,3-dihydro-1,3-benzothiazole-2-thione

$$$$ Data

M. F.

C7H4ClNS2

Suppliers	Catalog Number
Apollo Scientific	OR8320

Database	Data ID
PubChem	3034649

M. W.

201.69636

CAS

51618-29-2

Similarity

N/A

ID: 92069

4-[2-(trimethylsilyl)ethynyl]benzoic acid

$$$$ Data

M. F.

C12H14O2Si

Suppliers	Catalog Number
Sigma Aldrich	686379
Apollo Scientific	OR8339

Database	Data ID
PubChem	13628190

M. W.

218.32386

CAS

16116-80-6

Similarity

N/A

ID: 92070

4-[2-(trimethylsilyl)ethynyl]aniline

$$$$ Data

M. F.

C11H15NSi

Suppliers	Catalog Number
Sigma Aldrich	686360
Apollo Scientific	OR8340

Database	Data ID
PubChem	11052429

M. W.

189.329

CAS

75867-39-9

Similarity

N/A

ID: 92071

1-methyl-4-[2-(4-methylphenyl)ethyl]benzene

$$$$ Data

M. F.

C16H18

Suppliers	Catalog Number
Sigma Aldrich	121444
Alfa Aesar	L08876
Apollo Scientific	OR8345

Database	Data ID
PubChem	10854

M. W.

210.31412

CAS

538-39-6

Similarity

N/A

ID: 92072

1-(1H-indol-5-yl)ethan-1-one

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Apollo Scientific	OR8356

Database	Data ID
PubChem	40732

M. W.

159.18456

CAS

53330-94-2

Similarity

N/A

ID: 92073

N-methylcyclohexanamine

$$$$ Data More

M. F.

C7H15N

Suppliers	Catalog Number
Sigma Aldrich	103322 66460
Alfa Aesar	L13872
Apollo Scientific	OR8357

Database	Data ID
PubChem	7514

M. W.

113.2007

CAS

100-60-7

Similarity

N/A

ID: 92074

propyl 4-aminobenzoate

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Alfa Aesar	L09066
Apollo Scientific	OR8358

Database	Data ID
PubChem	7174

M. W.

179.21572

CAS

94-12-2

Similarity

N/A

ID: 92075

[4-(ethanesulfonyl)phenyl]hydrazine hydrochloride

$$$$ Data

M. F.

C8H13ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR8370

Database	Data ID
PubChem	44119749

M. W.

236.71902

CAS

Similarity

N/A

ID: 92076

trichloroacetic acid

$$$$ Data More

M. F.

C2HCl3O2

Suppliers	Catalog Number
Sigma Aldrich	T0699 T8657 T0324 (more...)
MP Biomedicals	02196060 02152592 02196057 (more...)
Alfa Aesar	A11156 22156

Database	Data ID
Wikipedia	Trichloroacetic_acid
PubChem	6421

M. W.

163.38714

CAS

76-03-9

Similarity

N/A

ID: 92077

3-methyl-1-(4-nitrophenyl)piperazine

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Apollo Scientific	OR8378

Database	Data ID
PubChem	2771391

M. W.

221.2557

CAS

Similarity

N/A

ID: 92078

2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide

$$$$ Data

M. F.

C12H13ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR8384
InterBioScreen	BB_NC-1182 STOCK1N-72169
Enamine	EN300-14456

Database	Data ID
PubChem	582669

M. W.

236.69742

CAS

52191-26-1

Similarity

N/A

ID: 92079

butane

$$$$ Data

M. F.

C4H10

Suppliers	Catalog Number
Sigma Aldrich	494402 18921 443670 (more...)
Apollo Scientific	OR8385

Database	Data ID
Wikipedia	Butane
PubChem	7843

M. W.

58.1222

CAS

106-97-8

Similarity

N/A

ID: 92080

1-(butan-2-yl)piperazine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Apollo Scientific	OR8400

Database	Data ID
PubChem	2735696

M. W.

142.24192

CAS

34581-21-0

Similarity

N/A

ID: 92081

[(3aS,4R,6R,7R,7aS)-7-(acetyloxy)-4-bromo-2-oxo-hexahydro-[1,3]dioxolo[4,5-c]pyr...

$$$$ Data

M. F.

C11H13BrO8

Suppliers	Catalog Number
Apollo Scientific	OR8400T

Database	Data ID
PubChem	13962229

M. W.

353.12012

CAS

Similarity

N/A

ID: 92082

thian-4-amine

$$$$ Data

M. F.

C5H11NS

Suppliers	Catalog Number
Maybridge	CC61914
Apollo Scientific	OR8412
A&J Pharmtech	AJA-O27283

Database	Data ID
PubChem	418807

M. W.

117.21254

CAS

21926-00-1

Similarity

N/A

ID: 92083

(1H-pyrazol-4-yl)boronic acid

$$$$ Data More

M. F.

C3H5BN2O2

Suppliers	Catalog Number
Sigma Aldrich	706256
Maybridge	MAY00042
Apollo Scientific	OR8414

Database	Data ID
PubChem	17750278

M. W.

111.895

CAS

763120-58-7

Similarity

N/A

ID: 92084

6-hydroxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

$$$$ Data

M. F.

C8H5NO4

Suppliers	Catalog Number
Apollo Scientific	OR8420
Enamine	EN300-79806

Database	Data ID
PubChem	2759315

M. W.

179.1296

CAS

195986-91-5

Similarity

N/A

ID: 92085

diethyl [(oxan-2-yloxy)methyl]phosphonate

$$$$ Data

M. F.

C10H21O5P

Suppliers	Catalog Number
Apollo Scientific	OR8421

Database	Data ID
PubChem	11230495

M. W.

252.244501

CAS

71885-51-3

Similarity

N/A

ID: 92086

2-[4-(4-methanesulfonylphenyl)piperazin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C13H20N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR8435

Database	Data ID
PubChem	4575709

M. W.

284.3745

CAS

Similarity

N/A

ID: 92087

2-azido-3,4-dimethyl-3H-imidazo[4,5-f]quinoline

$$$$ Data

M. F.

C12H10N6

Suppliers	Catalog Number
Apollo Scientific	OR8450T

Database	Data ID
PubChem	147877

M. W.

238.248

CAS

Similarity

N/A

ID: 92088

[3-(2,2-dicyanoeth-1-en-1-yl)phenyl]boronic acid

$$$$ Data

M. F.

C10H7BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR8451
Bide Pharmatech	BD230686

Database	Data ID
PubChem	44119771

M. W.

197.98578

CAS

957034-31-0

Similarity

N/A

ID: 92089

(1R,2S)-cyclohexane-1,2-diol

$$$$ Data

M. F.

C6H12O2

Suppliers	Catalog Number
Sigma Aldrich	361267 28995
Apollo Scientific	OR8451T

Database	Data ID
PubChem	92903

M. W.

116.15828

CAS

1792-81-0

Similarity

N/A

ID: 92090

(1-isothiocyanato-2-methylpropan-2-yl)benzene

$$$$ Data

M. F.

C11H13NS

Suppliers	Catalog Number
Apollo Scientific	OR8453

Database	Data ID
PubChem	12251520

M. W.

191.29262

CAS

Similarity

N/A

ID: 92091

2-hydroxy-4-(methylsulfanyl)benzoic acid

$$$$ Data

M. F.

C8H8O3S

Suppliers	Catalog Number
Apollo Scientific	OR8454

Database	Data ID
PubChem	13450749

M. W.

184.21232

CAS

Similarity

N/A

ID: 92092

4-ethyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid

$$$$ Data

M. F.

C6H9N3O3

Suppliers	Catalog Number
Apollo Scientific	OR8455

Database	Data ID
PubChem	26967583

M. W.

171.15396

CAS

Similarity

N/A

ID: 92093

(2-isocyanatopropan-2-yl)benzene

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
Apollo Scientific	OR8456

Database	Data ID
PubChem	2769430

M. W.

161.20044

CAS

4747-74-4

Similarity

N/A

ID: 92094

1-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid

$$$$ Data

M. F.

C7H11N3O3

Suppliers	Catalog Number
Apollo Scientific	OR8457

Database	Data ID
PubChem	26967587

M. W.

185.18054

CAS

Similarity

N/A

ID: 92095

1-bromo-2-(diethoxymethyl)benzene

$$$$ Data More

M. F.

C11H15BrO2

Suppliers	Catalog Number
Sigma Aldrich	520942
Alfa Aesar	L15513
Apollo Scientific	OR8458

Database	Data ID
PubChem	3482778

M. W.

259.1396

CAS

35822-58-3

Similarity

N/A

ID: 92096

4-benzyl-1-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
Apollo Scientific	OR8459

Database	Data ID
PubChem	26967590

M. W.

233.22334

CAS

Similarity

N/A

ID: 92097

1-methyl-5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylic acid

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
Apollo Scientific	OR8460

Database	Data ID
PubChem	26967593

M. W.

219.19676

CAS

Similarity

N/A

ID: 92098

1-benzyl-4-cyanopiperidine-4-carboxylic acid

$$$$ Data

M. F.

C14H16N2O2

Suppliers	Catalog Number
Apollo Scientific	OR8461

Database	Data ID
PubChem	26967595

M. W.

244.28904

CAS

Similarity

N/A

ID: 92099

2-(2-{2-[2-(2-bromoacetamido)ethoxy]ethoxy}ethoxy)acetic acid

$$$$ Data

M. F.

C10H18BrNO6

Suppliers	Catalog Number
Apollo Scientific	OR8462

Database	Data ID
PubChem	133086

M. W.

328.15702

CAS

Similarity

N/A

ID: 92100

5,6-dimethyl-2-(pyridin-2-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C11H11N3O

Suppliers	Catalog Number
Apollo Scientific	OR8472
Enamine	EN300-70372

Database	Data ID
PubChem	2736252

M. W.

201.22454

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