Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C10H8O2

Suppliers	Catalog Number
ChemBridge	3020462
Matrix Scientific	010259
Maybridge	CC24104

Database	Data ID
PubChem	40066

M. W.

160.16932

CAS

51593-69-2

Similarity

N/A

ID: 12852

sodium 4-ethynylbenzoate

$$$$ Data

M. F.

C9H5NaO2

Suppliers	Catalog Number
Alfa Aesar	L19292
Matrix Scientific	010261

Database	Data ID
PubChem	23720426

M. W.

168.12457

CAS

144693-65-2

Similarity

N/A

ID: 12853

2-[N-(2-fluorophenyl)methanesulfonamido]acetic acid

$$$$ Data

M. F.

C9H10FNO4S

Suppliers	Catalog Number
Matrix Scientific	010262
InterBioScreen	BB_SC-8142

Database	Data ID
PubChem	846886

M. W.

247.2434032

CAS

363162-67-8

Similarity

N/A

ID: 12854

1-amino-3,3-dimethylbutan-2-one hydrobromide

$$$$ Data

M. F.

C6H14BrNO

Suppliers	Catalog Number
Matrix Scientific	010263

Database	Data ID
PubChem	12643296

M. W.

196.08546

CAS

Similarity

N/A

ID: 12855

2,3-dimethyl-1H-indole-5-carboxylic acid

$$$$ Data More

M. F.

C11H11NO2

Suppliers	Catalog Number
ChemBridge	4400276
Matrix Scientific	010264
Maybridge	MO07746

Database	Data ID
PubChem	693386

M. W.

189.21054

CAS

14844-73-6

Similarity

N/A

ID: 12856

2-(thiophen-2-yl)quinoline-4-carboxylic acid

$$$$ Data More

M. F.

C14H9NO2S

Suppliers	Catalog Number
Matrix Scientific	010265
Life Chemicals	F0239-1084
InterBioScreen	BB_SC-7393

Database	Data ID
PubChem	620452

M. W.

255.29176

CAS

31792-47-9

Similarity

N/A

ID: 12857

2-(4-chlorobenzenesulfonamido)propanoic acid

$$$$ Data

M. F.

C9H10ClNO4S

Suppliers	Catalog Number
Matrix Scientific	010266
Key Organics	12G-396S
Enamine	EN300-06111

Database	Data ID
PubChem	362749

M. W.

263.698

CAS

59724-70-8

Similarity

N/A

ID: 12858

methyl[(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]amine; oxalic acid

$$$$ Data

M. F.

C16H24N2O4

Suppliers	Catalog Number
Matrix Scientific	010268
InterBioScreen	BB_SC-3248

Database	Data ID
PubChem	45074814

M. W.

308.37276

CAS

Similarity

N/A

ID: 12859

3-amino-6-methylthieno[2,3-b]quinoline-2-carboxylic acid

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	010269

Database	Data ID
PubChem	865565

M. W.

258.2957

CAS

873437-82-2

Similarity

N/A

ID: 12860

methyl 3-(2-amino-1,3-thiazol-4-yl)propanoate hydrochloride

$$$$ Data

M. F.

C7H11ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	010270

Database	Data ID
PubChem	44656164

M. W.

222.69244

CAS

Similarity

N/A

ID: 12861

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetic acid

$$$$ Data

M. F.

C5H7NO2S2

Suppliers	Catalog Number
Matrix Scientific	010271

Database	Data ID
PubChem	111599

M. W.

177.24458

CAS

Similarity

N/A

ID: 12862

2-(2,1,3-benzothiadiazole-4-sulfonamido)benzoic acid

$$$$ Data

M. F.

C13H9N3O4S2

Suppliers	Catalog Number
Matrix Scientific	010272
InterBioScreen	BB_SC-0184

Database	Data ID
PubChem	672599

M. W.

335.35826

CAS

Similarity

N/A

ID: 12863

3-(2,1,3-benzothiadiazole-4-sulfonamido)propanoic acid

$$$$ Data

M. F.

C9H9N3O4S2

Suppliers	Catalog Number
Matrix Scientific	010273

Database	Data ID
PubChem	704527

M. W.

287.31546

CAS

Similarity

N/A

ID: 12864

2-{[5-(2-methylphenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C12H12N2O4S

Suppliers	Catalog Number
Matrix Scientific	010274

Database	Data ID
PubChem	865388

M. W.

280.29968

CAS

74228-71-0

Similarity

N/A

ID: 12865

2-amino-N-(furan-2-ylmethyl)benzamide

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Matrix Scientific	010275
InterBioScreen	BB_SC-6381
Enamine	EN300-02469

Database	Data ID
PubChem	841269

M. W.

216.23588

CAS

117507-63-8

Similarity

N/A

ID: 12866

3-{2,5-dioxo-octahydroimidazo[4,5-d]imidazolidin-1-yl}propanoic acid

$$$$ Data

M. F.

C7H10N4O4

Suppliers	Catalog Number
Matrix Scientific	010276

Database	Data ID
PubChem	536752

M. W.

214.1787

CAS

309935-84-0

Similarity

N/A

ID: 12867

N-(furan-3-ylmethyl)cyclohexanamine hydrochloride

$$$$ Data

M. F.

C11H18ClNO

Suppliers	Catalog Number
Matrix Scientific	010277

Database	Data ID
PubChem	45074815

M. W.

215.71972

CAS

435345-12-3

Similarity

N/A

ID: 12868

1-(1-benzylpiperidin-4-yl)piperazine hydrochloride

$$$$ Data

M. F.

C16H26ClN3

Suppliers	Catalog Number
Matrix Scientific	010278

Database	Data ID
PubChem	45074816

M. W.

295.85074

CAS

Similarity

N/A

ID: 12869

1,2-oxazole-5-carboxylic acid

$$$$ Data More

M. F.

C4H3NO3

Suppliers	Catalog Number
Sigma Aldrich	636258
Alfa Aesar	A13739
Matrix Scientific	010279

Database	Data ID
PubChem	2060599

M. W.

113.07152

CAS

21169-71-1

Similarity

N/A

ID: 12870

2-(2,1,3-benzothiadiazole-4-sulfonamido)propanoic acid

$$$$ Data

M. F.

C9H9N3O4S2

Suppliers	Catalog Number
Matrix Scientific	010280

Database	Data ID
PubChem	2901261

M. W.

287.31546

CAS

Similarity

N/A

ID: 12871

2-ethyl-3-methylquinoline-4-carboxylic acid

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
Matrix Scientific	010281
Enamine	EN300-01328

Database	Data ID
PubChem	865215

M. W.

215.24782

CAS

74960-58-0

Similarity

N/A

ID: 12872

7-methyl-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid

$$$$ Data

M. F.

C14H13NO2

Suppliers	Catalog Number
Matrix Scientific	010282

Database	Data ID
PubChem	654633

M. W.

227.25852

CAS

Similarity

N/A

ID: 12873

7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

$$$$ Data

M. F.

C15H15NO2

Suppliers	Catalog Number
Matrix Scientific	010283
Life Chemicals	F0921-4512
Enamine	EN300-06036

Database	Data ID
PubChem	752870

M. W.

241.2851

CAS

Similarity

N/A

ID: 12874

2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

$$$$ Data

M. F.

C16H13NO3

Suppliers	Catalog Number
Matrix Scientific	010284

Database	Data ID
PubChem	865220

M. W.

267.27932

CAS

Similarity

N/A

ID: 12875

3-amino-7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

$$$$ Data

M. F.

C13H10N2O3S

Suppliers	Catalog Number
Matrix Scientific	010285

Database	Data ID
PubChem	865130

M. W.

274.2951

CAS

Similarity

N/A

ID: 12876

3-amino-8-methylthieno[2,3-b]quinoline-2-carboxylic acid

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	010286

Database	Data ID
PubChem	865152

M. W.

258.2957

CAS

351361-81-4

Similarity

N/A

ID: 12877

5-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C12H14N2OS

Suppliers	Catalog Number
Matrix Scientific	010287
Enamine	EN300-69596

Database	Data ID
PubChem	828523

M. W.

234.31736

CAS

493028-20-9

Similarity

N/A

ID: 12878

3-[(4-fluorophenyl)amino]-1,3-dihydro-2-benzofuran-1-one

$$$$ Data

M. F.

C14H10FNO2

Suppliers	Catalog Number
Matrix Scientific	010288

Database	Data ID
PubChem	583967

M. W.

243.2331032

CAS

Similarity

N/A

ID: 12879

5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C7H6Cl2N2O2S2

Suppliers	Catalog Number
Matrix Scientific	010289

Database	Data ID
PubChem	45074817

M. W.

285.17074

CAS

1185293-68-8

Similarity

N/A

ID: 12880

benzyl[(2-methoxyphenyl)methyl]amine

$$$$ Data

M. F.

C15H17NO

Suppliers	Catalog Number
Matrix Scientific	010290

Database	Data ID
PubChem	278966

M. W.

227.30158

CAS

69875-89-4

Similarity

N/A

ID: 12881

3-[(4,6-diaminopyrimidin-2-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C7H10N4O2S

Suppliers	Catalog Number
Matrix Scientific	010291
InterBioScreen	BB_SC-1987

Database	Data ID
PubChem	549214

M. W.

214.2449

CAS

Similarity

N/A

ID: 12882

2-(5-chloro-2-ethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

$$$$ Data

M. F.

C12H14ClNO3S

Suppliers	Catalog Number
Matrix Scientific	010292

Database	Data ID
PubChem	3142422

M. W.

287.76246

CAS

Similarity

N/A

ID: 12883

2-[2-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3S

Suppliers	Catalog Number
Matrix Scientific	010293

Database	Data ID
PubChem	3142428

M. W.

264.30028

CAS

Similarity

N/A

ID: 12884

4-[(cyclohexylamino)methyl]-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C16H20N2O

Suppliers	Catalog Number
Matrix Scientific	010294

Database	Data ID
PubChem	651213

M. W.

256.3428

CAS

Similarity

N/A

ID: 12885

3-[(benzylamino)methyl]-8-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C18H18N2O

Suppliers	Catalog Number
Matrix Scientific	010295

Database	Data ID
PubChem	864918

M. W.

278.34832

CAS

Similarity

N/A

ID: 12886

3-{[(furan-2-ylmethyl)amino]methyl}-8-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C16H16N2O2

Suppliers	Catalog Number
Matrix Scientific	010296

Database	Data ID
PubChem	864919

M. W.

268.31044

CAS

Similarity

N/A

ID: 12887

3-{[(3-hydroxypropyl)amino]methyl}-8-methyl-1,2-dihydroquinolin-2-one; oxalic ac...

$$$$ Data

M. F.

C16H20N2O6

Suppliers	Catalog Number
Matrix Scientific	010297

Database	Data ID
PubChem	53445917

M. W.

336.3398

CAS

Similarity

N/A

ID: 12888

3-{[(3-hydroxypropyl)amino]methyl}-7-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C14H18N2O2

Suppliers	Catalog Number
Matrix Scientific	010298

Database	Data ID
PubChem	3142489

M. W.

246.30492

CAS

Similarity

N/A

ID: 12889

3-{[(3-hydroxypropyl)amino]methyl}-6-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C14H18N2O2

Suppliers	Catalog Number
Matrix Scientific	010301

Database	Data ID
PubChem	3142491

M. W.

246.30492

CAS

Similarity

N/A

ID: 12890

1-(thiophen-2-yl)ethan-1-amine

$$$$ Data More

M. F.

C6H9NS

Suppliers	Catalog Number
ChemBridge	4100658
Alfa Aesar	H26052
Matrix Scientific	010302

Database	Data ID
PubChem	238233

M. W.

127.20736

CAS

6309-16-6

Similarity

N/A

ID: 12891

(4-methoxyphenyl)(phenyl)methanamine

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Matrix Scientific	010303
Enamine	EN300-12273

Database	Data ID
PubChem	350041

M. W.

213.275

CAS

2538-34-3

Similarity

N/A

ID: 12892

3-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C11H10N2O3S

Suppliers	Catalog Number
Matrix Scientific	010304

Database	Data ID
PubChem	667294

M. W.

250.2737

CAS

Similarity

N/A

ID: 12893

6,7-dimethyl-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Matrix Scientific	010305
InterBioScreen	STOCK1N-25399

Database	Data ID
PubChem	646406

M. W.

243.30098

CAS

Similarity

N/A

ID: 12894

5-(1H-1,3-benzodiazol-2-yl)-2-methylaniline

$$$$ Data

M. F.

C14H13N3

Suppliers	Catalog Number
Matrix Scientific	010306
InterBioScreen	BB_SC-1215

Database	Data ID
PubChem	721011

M. W.

223.27312

CAS

292644-33-8

Similarity

N/A

ID: 12895

2-methyl-5-{[1,3]oxazolo[4,5-b]pyridin-2-yl}aniline

$$$$ Data

M. F.

C13H11N3O

Suppliers	Catalog Number
Matrix Scientific	010307

Database	Data ID
PubChem	774969

M. W.

225.24594

CAS

Similarity

N/A

ID: 12896

4-(5-methyl-1,3-benzoxazol-2-yl)aniline

$$$$ Data

M. F.

C14H12N2O

Suppliers	Catalog Number
Matrix Scientific	010308
InterBioScreen	BB_SC-0623

Database	Data ID
PubChem	350189

M. W.

224.25788

CAS

22501-77-5

Similarity

N/A

ID: 12897

5-amino-2-(5-methyl-1,3-benzoxazol-2-yl)phenol

$$$$ Data

M. F.

C14H12N2O2

Suppliers	Catalog Number
Matrix Scientific	010309
InterBioScreen	BB_SC-0349

Database	Data ID
PubChem	5916771

M. W.

240.25728

CAS

Similarity

N/A

ID: 12898

5-amino-2-(5-chloro-1,3-benzoxazol-2-yl)phenol

$$$$ Data

M. F.

C13H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	010310
InterBioScreen	BB_SC-0595

Database	Data ID
PubChem	5390155

M. W.

260.67576

CAS

22105-55-1

Similarity

N/A

ID: 12899

2-(4-fluorophenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C13H9FN2O

Suppliers	Catalog Number
Matrix Scientific	010311
InterBioScreen	BB_SC-8688

Database	Data ID
PubChem	675396

M. W.

228.2217632

CAS

116248-10-3

Similarity

N/A

ID: 12900

2-phenyl-2H-1,2,3-benzotriazol-5-amine

$$$$ Data

M. F.

C12H10N4

Suppliers	Catalog Number
Matrix Scientific	010312
InterBioScreen	BB_SC-4958

Database	Data ID
PubChem	721090

M. W.

210.2346

CAS

21819-66-9

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