Chembase list of 866358 unique molecular structures

ethyl 1-(2-{[(tert-butoxy)carbonyl]amino}ethyl)piperidine-4-carboxylate

$$$$ Data

M. F.

C15H28N2O4

Suppliers	Catalog Number
Matrix Scientific	054891
Key Organics	CE-0744

Database	Data ID
PubChem	50853259

M. W.

300.39382

CAS

Similarity

N/A

ID: 51352

6-[(4-methoxyphenyl)sulfanyl]pyridin-3-amine

$$$$ Data

M. F.

C12H12N2OS

Suppliers	Catalog Number
Matrix Scientific	054892
Key Organics	BE-0775

Database	Data ID
PubChem	28401588

M. W.

232.30148

CAS

Similarity

N/A

ID: 51353

6-(4-methoxybenzenesulfonyl)pyridin-3-amine

$$$$ Data

M. F.

C12H12N2O3S

Suppliers	Catalog Number
Matrix Scientific	054893
Key Organics	CE-0709

Database	Data ID
PubChem	50853243

M. W.

264.30028

CAS

Similarity

N/A

ID: 51354

methyl 3-amino-2-(benzyloxy)-5-methoxybenzoate hydrochloride

$$$$ Data

M. F.

C16H18ClNO4

Suppliers	Catalog Number
Matrix Scientific	054894
Key Organics	CE-0053
Apollo Scientific	OR40308

Database	Data ID
PubChem	49757534

M. W.

323.77142

CAS

Similarity

N/A

ID: 51355

methyl 3-amino-4-chloro-5-methoxybenzoate

$$$$ Data

M. F.

C9H10ClNO3

Suppliers	Catalog Number
Matrix Scientific	054895
Key Organics	CE-0094
Apollo Scientific	OR40309

Database	Data ID
PubChem	49757537

M. W.

215.6336

CAS

63603-10-1

Similarity

N/A

ID: 51356

methyl 2-(benzyloxy)-5-methoxy-3-nitrobenzoate

$$$$ Data

M. F.

C16H15NO6

Suppliers	Catalog Number
Matrix Scientific	054896
Key Organics	CE-0042
Apollo Scientific	OR40312

Database	Data ID
PubChem	49757532

M. W.

317.2934

CAS

63603-10-1

Similarity

N/A

ID: 51357

methyl 4-chloro-3-methoxy-5-nitrobenzoate

$$$$ Data

M. F.

C9H8ClNO5

Suppliers	Catalog Number
Matrix Scientific	054897
Key Organics	CE-0044
Apollo Scientific	OR40313

Database	Data ID
PubChem	49757533

M. W.

245.61652

CAS

63603-09-8

Similarity

N/A

ID: 51358

methyl 2-cyano-8-methoxy-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	054898
Key Organics	BE-0051
Apollo Scientific	OR40314

Database	Data ID
PubChem	49757524

M. W.

248.23468

CAS

Similarity

N/A

ID: 51359

methyl 2-ethyl-7-methoxy-1,3-benzoxazole-5-carboxylate

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	054899
Key Organics	CE-0061

Database	Data ID
PubChem	50853234

M. W.

235.23592

CAS

Similarity

N/A

ID: 51360

methyl 2-ethyl-5-methoxy-1,3-benzoxazole-7-carboxylate

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	054900
Key Organics	CE-0062

Database	Data ID
PubChem	50853235

M. W.

235.23592

CAS

Similarity

N/A

ID: 51361

methyl 5-methoxy-1,3-benzoxazole-7-carboxylate

$$$$ Data

M. F.

C10H9NO4

Suppliers	Catalog Number
Matrix Scientific	054901
Key Organics	CE-0023

Database	Data ID
PubChem	50853256

M. W.

207.18276

CAS

Similarity

N/A

ID: 51362

methyl 5-methoxy-2-methyl-1,3-benzoxazole-7-carboxylate

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Matrix Scientific	054902
Key Organics	CE-0024

Database	Data ID
PubChem	50853257

M. W.

221.20934

CAS

Similarity

N/A

ID: 51363

methyl 7-methoxy-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carboxylate

$$$$ Data

M. F.

C10H9NO5

Suppliers	Catalog Number
Matrix Scientific	054903
Key Organics	CE-0007

Database	Data ID
PubChem	50853255

M. W.

223.18216

CAS

Similarity

N/A

ID: 51364

methyl 5-methoxy-2-oxo-2,3-dihydro-1,3-benzoxazole-7-carboxylate

$$$$ Data

M. F.

C10H9NO5

Suppliers	Catalog Number
Matrix Scientific	054904
Key Organics	CE-0026

Database	Data ID
PubChem	50853258

M. W.

223.18216

CAS

Similarity

N/A

ID: 51365

methyl 6-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylate

$$$$ Data

M. F.

C11H11NO5

Suppliers	Catalog Number
Matrix Scientific	054905
Key Organics	CE-0027

Database	Data ID
PubChem	50853261

M. W.

237.20874

CAS

Similarity

N/A

ID: 51366

methyl 2-[(5-nitropyridin-2-yl)sulfanyl]acetate

$$$$ Data

M. F.

C8H8N2O4S

Suppliers	Catalog Number
Matrix Scientific	054906
Key Organics	CE-0742

Database	Data ID
PubChem	28748612

M. W.

228.22512

CAS

Similarity

N/A

ID: 51367

6-methanesulfonylpyridine-3-carbaldehyde

$$$$ Data

M. F.

C7H7NO3S

Suppliers	Catalog Number
Matrix Scientific	054907
Key Organics	CE-0750

Database	Data ID
PubChem	21698414

M. W.

185.20038

CAS

Similarity

N/A

ID: 51368

2-methanesulfonyl-5-nitropyridine

$$$$ Data

M. F.

C6H6N2O4S

Suppliers	Catalog Number
Matrix Scientific	054908
Key Organics	CE-0735

Database	Data ID
PubChem	1211552

M. W.

202.18784

CAS

79134-11-5

Similarity

N/A

ID: 51369

2-methanesulfonyl-3-nitropyridine

$$$$ Data

M. F.

C6H6N2O4S

Suppliers	Catalog Number
Matrix Scientific	054909
Key Organics	CE-0737

Database	Data ID
PubChem	12234437

M. W.

202.18784

CAS

56825-29-7

Similarity

N/A

ID: 51370

6-methanesulfonylpyridin-3-amine

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Matrix Scientific	054910
Key Organics	CE-0738
Enamine	EN300-40811

Database	Data ID
PubChem	20038977

M. W.

172.20492

CAS

187143-22-2

Similarity

N/A

ID: 51371

2-methanesulfonylpyridin-3-amine

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Matrix Scientific	054911
Key Organics	CE-0746

Database	Data ID
PubChem	12234441

M. W.

172.20492

CAS

80383-38-6

Similarity

N/A

ID: 51372

5-methanesulfonylthiophene-2-carbaldehyde

$$$$ Data

M. F.

C6H6O3S2

Suppliers	Catalog Number
Matrix Scientific	054912
Key Organics	CE-0749

Database	Data ID
PubChem	20623963

M. W.

190.24004

CAS

177194-34-2

Similarity

N/A

ID: 51373

8-methyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

$$$$ Data

M. F.

C10H17NO2S

Suppliers	Catalog Number
Matrix Scientific	054913
Key Organics	BE-0761

Database	Data ID
PubChem	2985006

M. W.

215.31248

CAS

Similarity

N/A

ID: 51374

2-(2-phenylethyl)piperazine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Matrix Scientific	054914
Key Organics	CE-0213
A&J Pharmtech	AJA-O26241

Database	Data ID
PubChem	21093511

M. W.

190.28472

CAS

91907-37-8

Similarity

N/A

ID: 51375

2-(2-phenylethyl)pyrazine

$$$$ Data

M. F.

C12H12N2

Suppliers	Catalog Number
Matrix Scientific	054915
Key Organics	CE-0203

Database	Data ID
PubChem	522982

M. W.

184.23708

CAS

91391-83-2

Similarity

N/A

ID: 51376

8-phenyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid

$$$$ Data

M. F.

C15H19NO2S

Suppliers	Catalog Number
Matrix Scientific	054916
Key Organics	BE-0750

Database	Data ID
PubChem	594052

M. W.

277.38186

CAS

Similarity

N/A

ID: 51377

8-phenyl-1-thia-4-azaspiro[4.5]decane hydrochloride

$$$$ Data

M. F.

C14H20ClNS

Suppliers	Catalog Number
Matrix Scientific	054917
Key Organics	BE-0756

Database	Data ID
PubChem	50853225

M. W.

269.8333

CAS

Similarity

N/A

ID: 51378

8-phenyl-1-thia-4-azaspiro[4.5]decan-3-one

$$$$ Data

M. F.

C14H17NOS

Suppliers	Catalog Number
Matrix Scientific	054918
Key Organics	BE-0757

Database	Data ID
PubChem	50853227

M. W.

247.35588

CAS

Similarity

N/A

ID: 51379

8-phenyl-1-thia-4-azaspiro[4.5]decane-8-carbonitrile hydrochloride

$$$$ Data

M. F.

C15H19ClN2S

Suppliers	Catalog Number
Matrix Scientific	054919
Key Organics	CE-0721

Database	Data ID
PubChem	50853247

M. W.

294.84276

CAS

Similarity

N/A

ID: 51380

tert-butyl 4-amino-4-cyanopiperidine-1-carboxylate

$$$$ Data

M. F.

C11H19N3O2

Suppliers	Catalog Number
Matrix Scientific	054920
Key Organics	CE-0216
Apollo Scientific	OR40315

Database	Data ID
PubChem	22091429

M. W.

225.28746

CAS

331281-25-5

Similarity

N/A

ID: 51381

tert-butyl 4-(2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate

$$$$ Data

M. F.

C14H23NO4

Suppliers	Catalog Number
Matrix Scientific	054921
Key Organics	CE-0229
Bide Pharmatech	BD182032

Database	Data ID
PubChem	10333298

M. W.

269.33672

CAS

135716-08-4

Similarity

N/A

ID: 51382

[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine

$$$$ Data

M. F.

C5H6N6

Suppliers	Catalog Number
Matrix Scientific	054922
Key Organics	CE-0724

Database	Data ID
PubChem	50853249

M. W.

150.14134

CAS

Similarity

N/A

ID: 51383

4-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}aniline

$$$$ Data

M. F.

C12H9F3N2S

Suppliers	Catalog Number
Matrix Scientific	054923
Key Organics	CE-0718
Apollo Scientific	PC50045

Database	Data ID
PubChem	28401585

M. W.

270.2734696

CAS

Similarity

N/A

ID: 51384

3-(trifluoromethyl)cyclohexan-1-ol

$$$$ Data

M. F.

C7H11F3O

Suppliers	Catalog Number
Matrix Scientific	054924
Enamine	EN300-62207

Database	Data ID
PubChem	2777487

M. W.

168.1568496

CAS

454-63-7

Similarity

N/A

ID: 51385

3,5-difluoro-4-methoxypyridine

$$$$ Data

M. F.

C6H5F2NO

Suppliers	Catalog Number
Matrix Scientific	054925

Database	Data ID
PubChem	45790724

M. W.

145.1068064

CAS

Similarity

N/A

ID: 51386

3-chloro-2,6-difluoropyridine

$$$$ Data

M. F.

C5H2ClF2N

Suppliers	Catalog Number
Matrix Scientific	054926

Database	Data ID
PubChem	12259371

M. W.

149.5258864

CAS

52208-56-7

Similarity

N/A

ID: 51387

3,5-dibromopyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H3Br2NO2

Suppliers	Catalog Number
Matrix Scientific	054927
A&J Pharmtech	AJA-O31340

Database	Data ID
PubChem	12361242

M. W.

280.90152

CAS

61830-40-8

Similarity

N/A

ID: 51388

(1r,4s)-1-pentyl-4-(trifluoromethyl)cyclohexane

$$$$ Data

M. F.

C12H21F3

Suppliers	Catalog Number
Matrix Scientific	054928

Database	Data ID
PubChem	45790573

M. W.

222.2903496

CAS

Similarity

N/A

ID: 51389

(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene

$$$$ Data

M. F.

C15H13F3

Suppliers	Catalog Number
Matrix Scientific	054929

Database	Data ID
PubChem	13697404

M. W.

250.2589296

CAS

Similarity

N/A

ID: 51390

2,4-dichloro-1-fluoro-3-nitro-5-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7HCl2F4NO2

Suppliers	Catalog Number
Matrix Scientific	054930

Database	Data ID
PubChem	45790971

M. W.

277.9879528

CAS

Similarity

N/A

ID: 51391

2,5-dichloro-1-nitro-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H2Cl2F3NO2

Suppliers	Catalog Number
Matrix Scientific	054931

Database	Data ID
PubChem	13671854

M. W.

259.9974896

CAS

Similarity

N/A

ID: 51392

1-methyl-4-(1,1,1-trifluoropropan-2-yl)benzene

$$$$ Data

M. F.

C10H11F3

Suppliers	Catalog Number
Matrix Scientific	054932

Database	Data ID
PubChem	45790962

M. W.

188.1895496

CAS

Similarity

N/A

ID: 51393

1-nitro-2-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	054933

Database	Data ID
PubChem	45790964

M. W.

205.1339496

CAS

Similarity

N/A

ID: 51394

1-nitro-4-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	054934

Database	Data ID
PubChem	10798263

M. W.

205.1339496

CAS

Similarity

N/A

ID: 51395

1,2,3-trichloro-4-(1,1-difluoroethyl)benzene

$$$$ Data

M. F.

C8H5Cl3F2

Suppliers	Catalog Number
Matrix Scientific	054935

Database	Data ID
PubChem	53407643

M. W.

245.4811064

CAS

Similarity

N/A

ID: 51396

1-nitro-4-(1,1,1-trifluoropropan-2-yl)benzene

$$$$ Data

M. F.

C9H8F3NO2

Suppliers	Catalog Number
Matrix Scientific	054936

Database	Data ID
PubChem	45790967

M. W.

219.1605296

CAS

Similarity

N/A

ID: 51397

1-(difluoromethyl)naphthalene

$$$$ Data

M. F.

C11H8F2

Suppliers	Catalog Number
Matrix Scientific	054937

Database	Data ID
PubChem	11137682

M. W.

178.1780264

CAS

Similarity

N/A

ID: 51398

4-methyl-1-nitro-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	054938
A&J Pharmtech	AJA-O3150

Database	Data ID
PubChem	13455432

M. W.

205.1339496

CAS

87617-21-8

Similarity

N/A

ID: 51399

1-methyl-2-nitro-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6F3NO2

Suppliers	Catalog Number
Matrix Scientific	054939
Bide Pharmatech	BD77616

Database	Data ID
PubChem	13455431

M. W.

205.1339496

CAS

92891-23-1

Similarity

N/A

ID: 51400

1,1-difluoro-4-(2-methylbutan-2-yl)cyclohexane

$$$$ Data

M. F.

C11H20F2

Suppliers	Catalog Number
Matrix Scientific	054940

Database	Data ID
PubChem	45790572

M. W.

190.2733064

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