Chembase list of 866358 unique molecular structures

tert-butyl N-[(4-cyclopropyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

$$$$ Data

M. F.

C11H18N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR016564

Database	Data ID
PubChem	2735634

M. W.

270.35122

CAS

Similarity

N/A

ID: 73552

3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazole-5-carbohydrazide

$$$$ Data

M. F.

C15H18Cl2N4O

Suppliers	Catalog Number
Apollo Scientific	OR016566

Database	Data ID
PubChem	2735667

M. W.

341.23562

CAS

Similarity

N/A

ID: 73553

1-N-(1-benzylpiperidin-4-yl)benzene-1,2-diamine

$$$$ Data

M. F.

C18H23N3

Suppliers	Catalog Number
Maybridge	KM10052
Apollo Scientific	OR01657

Database	Data ID
PubChem	93779

M. W.

281.39532

CAS

57718-47-5

Similarity

N/A

ID: 73554

5-[isocyano(4-methylbenzenesulfonyl)methyl]-2H-1,3-benzodioxole

$$$$ Data

M. F.

C16H13NO4S

Suppliers	Catalog Number
Apollo Scientific	OR01658

Database	Data ID
PubChem	2771737

M. W.

315.34372

CAS

428816-43-7

Similarity

N/A

ID: 73555

1-[isocyano(3-nitrophenyl)methanesulfonyl]-4-methylbenzene

$$$$ Data

M. F.

C15H12N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR01659

Database	Data ID
PubChem	2771738

M. W.

316.33178

CAS

Similarity

N/A

ID: 73556

1-{[2-(tert-butylsulfanyl)phenyl](isocyano)methanesulfonyl}-4-methylbenzene

$$$$ Data

M. F.

C19H21NO2S2

Suppliers	Catalog Number
Apollo Scientific	OR01660

Database	Data ID
PubChem	2771739

M. W.

359.50554

CAS

Similarity

N/A

ID: 73557

5-tert-butyl-2-methylfuran-3-carboxylic acid

$$$$ Data

M. F.

C10H14O3

Suppliers	Catalog Number
Alfa Aesar	A19258
Apollo Scientific	OR01668

Database	Data ID
PubChem	2742176

M. W.

182.21636

CAS

38422-62-7

Similarity

N/A

ID: 73558

5-tert-butylthiophene-2-carboxylic acid

$$$$ Data

M. F.

C9H12O2S

Suppliers	Catalog Number
Apollo Scientific	OR01670
Enamine	EN300-109496

Database	Data ID
PubChem	458349

M. W.

184.25538

CAS

29212-25-7

Similarity

N/A

ID: 73559

tert-butyl 4,4,4-trichlorobutanoate

$$$$ Data

M. F.

C8H13Cl3O2

Suppliers	Catalog Number
Apollo Scientific	OR016705

Database	Data ID
PubChem	2735697

M. W.

247.54662

CAS

Similarity

N/A

ID: 73560

tert-butyl 2,3-diphenylpiperazine-1-carboxylate

$$$$ Data

M. F.

C21H26N2O2

Suppliers	Catalog Number
Apollo Scientific	OR01672
A&J Pharmtech	AJA-O29674

Database	Data ID
PubChem	16740728

M. W.

338.44334

CAS

Similarity

N/A

ID: 73561

ethyl 3-phenylpiperazine-1-carboxylate

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Alfa Aesar	H26633
Apollo Scientific	OR01673

Database	Data ID
PubChem	2771740

M. W.

234.29422

CAS

904814-49-9

Similarity

N/A

ID: 73562

tert-butyl 3-(thiophen-2-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C13H20N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR01674
A&J Pharmtech	AJA-O29675

Database	Data ID
PubChem	16740729

M. W.

268.3751

CAS

Similarity

N/A

ID: 73563

3-(1-aminoethyl)aniline

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Sigma Aldrich	737291
Apollo Scientific	OR01676

Database	Data ID
PubChem	2771742

M. W.

136.19428

CAS

129725-48-0

Similarity

N/A

ID: 73564

(2R)-2-{[(benzyloxy)carbonyl]amino}-3-carbamoylpropanoic acid

$$$$ Data

M. F.

C12H14N2O5

Suppliers	Catalog Number
Sigma Aldrich	95941
Apollo Scientific	OR01678
Bide Pharmatech	BD20861

Database	Data ID
PubChem	1712147

M. W.

266.24996

CAS

4474-86-6

Similarity

N/A

ID: 73565

4-(1-aminoethyl)aniline

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Apollo Scientific	OR01680

Database	Data ID
PubChem	15580484

M. W.

136.19428

CAS

Similarity

N/A

ID: 73566

3-phenylquinoxaline-5-carboxylic acid

$$$$ Data

M. F.

C15H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR01681

Database	Data ID
PubChem	15319416

M. W.

250.2521

CAS

162135-93-5

Similarity

N/A

ID: 73567

4-(4-phenylphenyl)-2,3-dihydro-1H-1,5-benzodiazepine

$$$$ Data

M. F.

C21H18N2

Suppliers	Catalog Number
Apollo Scientific	OR01683

Database	Data ID
PubChem	2771744

M. W.

298.38102

CAS

Similarity

N/A

ID: 73568

1-(4-bromophenyl)ethan-1-one

$$$$ Data More

M. F.

C8H7BrO

Suppliers	Catalog Number
Sigma Aldrich	B56404 16110
MP Biomedicals	05205610
Alfa Aesar	A12222

Database	Data ID
PubChem	7466

M. W.

199.04458

CAS

99-90-1

Similarity

N/A

ID: 73569

9-amino-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-5-one

$$$$ Data

M. F.

C9H11N3O

Suppliers	Catalog Number
Apollo Scientific	OR01685

Database	Data ID
PubChem	2771745

M. W.

177.20314

CAS

328546-66-3

Similarity

N/A

ID: 73570

1-[isocyano(4-methylbenzenesulfonyl)methyl]naphthalene

$$$$ Data

M. F.

C19H15NO2S

Suppliers	Catalog Number
Apollo Scientific	OR01686

Database	Data ID
PubChem	2771746

M. W.

321.3929

CAS

263389-18-0

Similarity

N/A

ID: 73571

2-(4-phenylphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

$$$$ Data

M. F.

C21H20N2

Suppliers	Catalog Number
Apollo Scientific	OR01688

Database	Data ID
PubChem	2771748

M. W.

300.3969

CAS

Similarity

N/A

ID: 73572

2-{[4-methyl-5-(quinolin-6-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C14H12N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR016886

Database	Data ID
PubChem	2736949

M. W.

300.33568

CAS

Similarity

N/A

ID: 73573

2-[isocyano(4-methylbenzenesulfonyl)methyl]naphthalene

$$$$ Data

M. F.

C19H15NO2S

Suppliers	Catalog Number
Apollo Scientific	OR01689

Database	Data ID
PubChem	2771749

M. W.

321.3929

CAS

263389-20-4

Similarity

N/A

ID: 73574

methyl 1-phenyl-5-(4-phenylphenyl)-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C23H18N2O2

Suppliers	Catalog Number
Apollo Scientific	OR01691

Database	Data ID
PubChem	2771751

M. W.

354.40122

CAS

Similarity

N/A

ID: 73575

(4-bromophenyl)hydrazine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR016911

Database	Data ID
PubChem	12158

M. W.

187.03718

CAS

589-21-9

Similarity

N/A

ID: 73576

4-[3-(methoxycarbonyl)-5-(thiophen-2-yl)-1H-pyrazol-1-yl]benzoic acid

$$$$ Data

M. F.

C16H12N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR01692

Database	Data ID
PubChem	2771752

M. W.

328.34248

CAS

Similarity

N/A

ID: 73577

3-(1H-indol-2-yl)aniline

$$$$ Data

M. F.

C14H12N2

Suppliers	Catalog Number
ChemBridge	4110572
Apollo Scientific	OR01694

Database	Data ID
PubChem	233290

M. W.

208.25848

CAS

6318-72-5

Similarity

N/A

ID: 73578

2-(4-phenylphenyl)-1H-indole

$$$$ Data

M. F.

C20H15N

Suppliers	Catalog Number
Apollo Scientific	OR01695

Database	Data ID
PubChem	392904

M. W.

269.3398

CAS

21470-37-1

Similarity

N/A

ID: 73579

1-(4-phenylphenyl)ethan-1-amine

$$$$ Data More

M. F.

C14H15N

Suppliers	Catalog Number
ChemBridge	4102675
Alfa Aesar	H58237
Apollo Scientific	OR01696

Database	Data ID
PubChem	2771754

M. W.

197.2756

CAS

86217-82-5

Similarity

N/A

ID: 73580

tert-butyl N-[2-(1-aminoethyl)phenyl]carbamate

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Apollo Scientific	OR01697

Database	Data ID
PubChem	2771819

M. W.

236.3101

CAS

Similarity

N/A

ID: 73581

tert-butyl N-[1-(2-aminophenyl)ethyl]carbamate

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Apollo Scientific	OR01698

Database	Data ID
PubChem	2771820

M. W.

236.3101

CAS

Similarity

N/A

ID: 73582

2,4-dichloro-1-[isocyano(4-methylbenzenesulfonyl)methyl]benzene

$$$$ Data

M. F.

C15H11Cl2NO2S

Suppliers	Catalog Number
Apollo Scientific	OR01699
Bide Pharmatech	BD159478

Database	Data ID
PubChem	2771755

M. W.

340.22434

CAS

952727-77-4

Similarity

N/A

ID: 73583

1-[(2-chlorophenyl)(isocyano)methanesulfonyl]-4-methylbenzene

$$$$ Data

M. F.

C15H12ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR01700
A&J Pharmtech	AJA-O31590

Database	Data ID
PubChem	2771756

M. W.

305.77928

CAS

1029104-34-4

Similarity

N/A

ID: 73584

tetrabutylazanium chloride

$$$$ Data More

M. F.

C16H36ClN

Suppliers	Catalog Number
Sigma Aldrich	86870 86862 86852
MP Biomedicals	02152102
Alfa Aesar	19347 A15186

Database	Data ID
PubChem	70681

M. W.

277.91674

CAS

1112-67-0

Similarity

N/A

ID: 73585

tert-butyl N-(4-formylphenyl)carbamate

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Sigma Aldrich	709689
Apollo Scientific	OR01705

Database	Data ID
PubChem	2771821

M. W.

221.2524

CAS

144072-30-0

Similarity

N/A

ID: 73586

2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-3-carboxylic acid

$$$$ Data

M. F.

C15H21N3O4

Suppliers	Catalog Number
Apollo Scientific	OR01706

Database	Data ID
PubChem	2771822

M. W.

307.34494

CAS

Similarity

N/A

ID: 73587

6-(piperazin-1-yl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C10H13N3O2

Suppliers	Catalog Number
Apollo Scientific	OR01707

Database	Data ID
PubChem	2771759

M. W.

207.22912

CAS

278803-18-2

Similarity

N/A

ID: 73588

3-aminobenzene-1-sulfonamide

$$$$ Data More

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Sigma Aldrich	724696
Alfa Aesar	B21857 B25439
Maybridge	SB01949

Database	Data ID
PubChem	7377

M. W.

172.20492

CAS

98-18-0

Similarity

N/A

ID: 73589

6-[(2-aminoethyl)amino]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C8H11N3O2

Suppliers	Catalog Number
Apollo Scientific	OR01708

Database	Data ID
PubChem	2771760

M. W.

181.19184

CAS

Similarity

N/A

ID: 73590

tert-butyl N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

$$$$ Data

M. F.

C9H16N4O2S

Suppliers	Catalog Number
Maybridge	KM10372
Apollo Scientific	OR017082

Database	Data ID
PubChem	736813

M. W.

244.31394

CAS

519056-65-6

Similarity

N/A

ID: 73591

6-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C13H19N3O4

Suppliers	Catalog Number
Apollo Scientific	OR01709

Database	Data ID
PubChem	2771824

M. W.

281.30766

CAS

904815-08-3

Similarity

N/A

ID: 73592

2-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C13H19N3O4

Suppliers	Catalog Number
Apollo Scientific	OR01710

Database	Data ID
PubChem	2771825

M. W.

281.30766

CAS

Similarity

N/A

ID: 73593

1-[isocyano(4-methylbenzenesulfonyl)methyl]-4-phenylbenzene

$$$$ Data

M. F.

C21H17NO2S

Suppliers	Catalog Number
Apollo Scientific	OR01711

Database	Data ID
PubChem	2771761

M. W.

347.43018

CAS

Similarity

N/A

ID: 73594

2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

$$$$ Data

M. F.

C9H12N2

Suppliers	Catalog Number
Apollo Scientific	OR01712
Enamine	EN300-80997

Database	Data ID
PubChem	577192

M. W.

148.20498

CAS

6516-89-8

Similarity

N/A

ID: 73595

1,3-dimethyl-1H-pyrazole-5-carbonitrile

$$$$ Data

M. F.

C6H7N3

Suppliers	Catalog Number
Apollo Scientific	OR017148

Database	Data ID
PubChem	2736297

M. W.

121.13988

CAS

Similarity

N/A

ID: 73596

5-(2,4-dichlorophenyl)-4H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C10H6Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR01715

Database	Data ID
PubChem	2771767

M. W.

257.07284

CAS

78874-27-8

Similarity

N/A

ID: 73597

2-isocyanato-1,3-dimethoxybenzene

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Apollo Scientific	OR017155

Database	Data ID
PubChem	2736199

M. W.

179.17266

CAS

50528-53-5

Similarity

N/A

ID: 73598

5-(3,4,5-trimethoxyphenyl)-4H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C13H14N2O5

Suppliers	Catalog Number
Apollo Scientific	OR01716

Database	Data ID
PubChem	2771768

M. W.

278.26066

CAS

Similarity

N/A

ID: 73599

tert-butyl N-[(4-benzyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

$$$$ Data

M. F.

C15H20N4O2S

Suppliers	Catalog Number
Maybridge	KM10517
Apollo Scientific	OR01719

Database	Data ID
PubChem	2735479

M. W.

320.4099

CAS

306935-43-3

Similarity

N/A

ID: 73600

6-bromo-1-(chloromethyl)-2-methoxynaphthalene

$$$$ Data

M. F.

C12H10BrClO

Suppliers	Catalog Number
Apollo Scientific	OR017192

Database	Data ID
PubChem	737122

M. W.

285.5642

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