Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H8O2S

Suppliers	Catalog Number
Sigma Aldrich	718203

Database	Data ID
PubChem	140048

M. W.

120.17012

CAS

16215-14-8

Similarity

N/A

ID: 143652

3-amino-4-[2-(2-amino-4-carboxyphenyl)ethenyl]benzoic acid

$$$$ Data

M. F.

C16H14N2O4

Suppliers	Catalog Number
Sigma Aldrich	721247

Database	Data ID
PubChem	58019455

M. W.

298.29336

CAS

1275552-69-6

Similarity

N/A

ID: 143653

magnesium(2+) ion (methylsulfanyl)methane diboranuide

$$$$ Data

M. F.

C2H12B2MgS

Suppliers	Catalog Number
Sigma Aldrich	731226

Database	Data ID
PubChem	71311026

M. W.

114.10868

CAS

Similarity

N/A

ID: 143654

4-phenyl-1H-imidazole-2-thiol

$$$$ Data

M. F.

C9H8N2S

Suppliers	Catalog Number
Sigma Aldrich	730750
ChemBridge	4010221
Enamine	EN300-26022

Database	Data ID
PubChem	1132611

M. W.

176.23822

CAS

6857-34-7

Similarity

N/A

ID: 143655

6-(hydroxymethyl)pyridine-3,4-diol

$$$$ Data

M. F.

C6H7NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00377
ChemBridge	4001621

Database	Data ID
PubChem	249990

M. W.

141.12468

CAS

736088-02-1

Similarity

N/A

ID: 143656

2-{1H,5H,6H,7H-imidazo[1,2-a]pyrimidin-3-yl}acetic acid hydrochloride

$$$$ Data

M. F.

C8H12ClN3O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00750

Database	Data ID
PubChem	71311027

M. W.

217.65278

CAS

Similarity

N/A

ID: 143657

6-bromo-2-methyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C5H5BrN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00173
ChemBridge	4029510

Database	Data ID
PubChem	14118999

M. W.

189.01

CAS

1123169-25-4

Similarity

N/A

ID: 143658

6-bromo-4-fluoro-1,3-benzothiazol-2-amine

$$$$ Data

M. F.

C7H4BrFN2S

Suppliers	Catalog Number
Sigma Aldrich	CBR00095
ChemBridge	4029881

Database	Data ID
PubChem	3660672

M. W.

247.0874632

CAS

383131-45-1

Similarity

N/A

ID: 143659

6-ethoxy-2-hydroxyquinoline-3-carbaldehyde

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00343
ChemBridge	7000498

Database	Data ID
PubChem	788666

M. W.

217.22064

CAS

433975-12-3

Similarity

N/A

ID: 143660

6-ethoxypyridine-3-carbaldehyde

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00167
ChemBridge	4031638

Database	Data ID
PubChem	15067098

M. W.

151.16256

CAS

97455-61-3

Similarity

N/A

ID: 143661

6-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid

$$$$ Data

M. F.

C10H8FNO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00360
ChemBridge	4009727

Database	Data ID
PubChem	44721404

M. W.

209.1738232

CAS

869722-33-8

Similarity

N/A

ID: 143662

[1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine hydrate

$$$$ Data

M. F.

C5H8N6O

Suppliers	Catalog Number
Sigma Aldrich	CBR00723

Database	Data ID
PubChem	50944353

M. W.

168.15662

CAS

Similarity

N/A

ID: 143663

2-(5-amino-3-methyl-1H-pyrazol-1-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C6H10ClN3O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00837

Database	Data ID
PubChem	47000728

M. W.

191.6155

CAS

Similarity

N/A

ID: 143664

(5-cyclopropyl-1,2-oxazol-3-yl)methanol

$$$$ Data

M. F.

C7H9NO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00060
ChemBridge	4029676

Database	Data ID
PubChem	28065039

M. W.

139.15186

CAS

1060817-48-2

Similarity

N/A

ID: 143665

[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methanol

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00256
ChemBridge	4013198

Database	Data ID
PubChem	28063892

M. W.

142.1558

CAS

915924-67-3

Similarity

N/A

ID: 143666

(5-methylfuran-2-yl)(pyridin-3-yl)methanol

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00436
ChemBridge	4001443

Database	Data ID
PubChem	649084

M. W.

189.21054

CAS

356554-26-2

Similarity

N/A

ID: 143667

{5-methylimidazo[1,2-a]pyridin-2-yl}methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00356
ChemBridge	4026059

Database	Data ID
PubChem	821038

M. W.

162.1885

CAS

872363-02-5

Similarity

N/A

ID: 143668

{5-methylimidazo[1,2-a]pyridin-3-yl}methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00499
ChemBridge	4026333

Database	Data ID
PubChem	10844723

M. W.

162.1885

CAS

178488-39-6

Similarity

N/A

ID: 143669

5-(morpholin-4-yl)pentan-1-amine dihydrochloride

$$$$ Data

M. F.

C9H22Cl2N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00637

Database	Data ID
PubChem	47000694

M. W.

245.18978

CAS

Similarity

N/A

ID: 143670

6-methoxy-2H-1,3-benzodioxol-5-amine

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00391
ChemBridge	4026911

Database	Data ID
PubChem	15825741

M. W.

167.16196

CAS

69151-32-2

Similarity

N/A

ID: 143671

2-(6-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00504
ChemBridge	4402021

Database	Data ID
PubChem	45791296

M. W.

205.20994

CAS

959241-55-5

Similarity

N/A

ID: 143672

2-(7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00505
ChemBridge	4402022

Database	Data ID
PubChem	45791297

M. W.

205.20994

CAS

959241-61-3

Similarity

N/A

ID: 143673

(8-methoxy-2-methylquinolin-5-yl)boronic acid trihydrate

$$$$ Data

M. F.

C11H18BNO6

Suppliers	Catalog Number
Sigma Aldrich	CBR00606

Database	Data ID
PubChem	53398784

M. W.

271.07472

CAS

Similarity

N/A

ID: 143674

{8-methylimidazo[1,2-a]pyridin-2-yl}methanol

$$$$ Data

M. F.

C9H10N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00543
ChemBridge	4026056

Database	Data ID
PubChem	19735652

M. W.

162.1885

CAS

872362-98-6

Similarity

N/A

ID: 143675

cyclohex-1-en-1-ylmethanamine hydrochloride

$$$$ Data

M. F.

C7H14ClN

Suppliers	Catalog Number
Sigma Aldrich	CBR00863

Database	Data ID
PubChem	53398883

M. W.

147.64576

CAS

Similarity

N/A

ID: 143676

2-(dimethylamino)-2-(4-fluorophenyl)acetic acid hydrochloride

$$$$ Data

M. F.

C10H13ClFNO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00811

Database	Data ID
PubChem	47000706

M. W.

233.6671232

CAS

Similarity

N/A

ID: 143677

2-(dimethylamino)-2-(4-methylphenyl)acetic acid hydrochloride

$$$$ Data

M. F.

C11H16ClNO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00810

Database	Data ID
PubChem	53398868

M. W.

229.70324

CAS

Similarity

N/A

ID: 143678

2-(methylamino)-2-(thiophen-2-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C7H10ClNO2S

Suppliers	Catalog Number
Sigma Aldrich	CBR00942

Database	Data ID
PubChem	50944369

M. W.

207.6778

CAS

Similarity

N/A

ID: 143679

1-methyl-3-(pyridin-3-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Sigma Aldrich	CBR00258
ChemBridge	4015289

Database	Data ID
PubChem	28064036

M. W.

174.2025

CAS

287494-25-1

Similarity

N/A

ID: 143680

1-methyl-4-[1-(piperidin-4-yl)ethyl]piperazine dihydrate trihydrochloride

$$$$ Data

M. F.

C12H32Cl3N3O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00602

Database	Data ID
PubChem	45595271

M. W.

356.76038

CAS

Similarity

N/A

ID: 143681

1-methylazepane-2-carboxylic acid hydrochloride

$$$$ Data

M. F.

C8H16ClNO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00944

Database	Data ID
PubChem	45595373

M. W.

193.67114

CAS

Similarity

N/A

ID: 143682

1-phenylpiperazine-2-carboxylic acid dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00700

Database	Data ID
PubChem	53398824

M. W.

279.16294

CAS

Similarity

N/A

ID: 143683

1-(piperidin-1-yl)cyclohexane-1-carboxylic acid hydrochloride

$$$$ Data

M. F.

C12H22ClNO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00948

Database	Data ID
PubChem	53398911

M. W.

247.76158

CAS

Similarity

N/A

ID: 143684

1-(piperidin-4-yl)butan-1-one

$$$$ Data

M. F.

C9H17NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00415
ChemBridge	4026121

Database	Data ID
PubChem	17781806

M. W.

155.23738

CAS

3509-15-7

Similarity

N/A

ID: 143685

1-(piperidin-4-yl)propan-1-ol

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00138
ChemBridge	4005900

Database	Data ID
PubChem	18918621

M. W.

143.22668

CAS

24152-48-5

Similarity

N/A

ID: 143686

1-propyl-1H-1,2,3,4-tetrazol-5-amine

$$$$ Data

M. F.

C4H9N5

Suppliers	Catalog Number
Sigma Aldrich	CBR00443
ChemBridge	4015105

Database	Data ID
PubChem	220622

M. W.

127.14776

CAS

5340-04-5

Similarity

N/A

ID: 143687

1-(pyrrolidin-1-yl)cyclohexane-1-carboxylic acid hydrochloride

$$$$ Data

M. F.

C11H20ClNO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00947

Database	Data ID
PubChem	53398910

M. W.

233.735

CAS

Similarity

N/A

ID: 143688

1-(butan-2-yl)-3-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
Sigma Aldrich	CBR00522
ChemBridge	4013077

Database	Data ID
PubChem	19619868

M. W.

153.2248

CAS

90206-23-8

Similarity

N/A

ID: 143689

3-methyl-5,6-dihydro-1,4-dioxine-2-carboxylic acid

$$$$ Data

M. F.

C6H8O4

Suppliers	Catalog Number
Sigma Aldrich	CBR00465
ChemBridge	4002786

Database	Data ID
PubChem	15376174

M. W.

144.12532

CAS

135813-44-4

Similarity

N/A

ID: 143690

3-(piperidin-3-yl)propan-1-ol

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00005
ChemBridge	4011272

Database	Data ID
PubChem	4712476

M. W.

143.22668

CAS

25175-58-0

Similarity

N/A

ID: 143691

3-(piperidin-3-yl)propanamide hydrochloride

$$$$ Data

M. F.

C8H17ClN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00857

Database	Data ID
PubChem	47000749

M. W.

192.68638

CAS

Similarity

N/A

ID: 143692

4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}piperidine dihydrochloride

$$$$ Data

M. F.

C12H22Cl2N4

Suppliers	Catalog Number
Sigma Aldrich	CBR00663

Database	Data ID
PubChem	47000776

M. W.

293.23588

CAS

Similarity

N/A

ID: 143693

3-propylmorpholine

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00294
ChemBridge	4021666
A&J Pharmtech	AJA-O20894

Database	Data ID
PubChem	20339046

M. W.

129.2001

CAS

19856-81-6

Similarity

N/A

ID: 143694

4-(1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine

$$$$ Data

M. F.

C4H3N5O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00190
ChemBridge	4009849

Database	Data ID
PubChem	1244573

M. W.

153.09892

CAS

163011-56-1

Similarity

N/A

ID: 143695

6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00427
ChemBridge	5876278

Database	Data ID
PubChem	253823

M. W.

203.19406

CAS

51726-39-7

Similarity

N/A

ID: 143696

8-bromoquinolin-4-amine

$$$$ Data

M. F.

C9H7BrN2

Suppliers	Catalog Number
Sigma Aldrich	CBR00223
ChemBridge	4031865
A&J Pharmtech	AJA-O33232

Database	Data ID
PubChem	12403693

M. W.

223.06928

CAS

65340-75-2

Similarity

N/A

ID: 143697

8-fluoroquinoline-2-carboxylic acid

$$$$ Data

M. F.

C10H6FNO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00482
ChemBridge	4003788

Database	Data ID
PubChem	28063305

M. W.

191.1585432

CAS

914208-13-2

Similarity

N/A

ID: 143698

9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

$$$$ Data

M. F.

C13H13NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00507
ChemBridge	4013289

Database	Data ID
PubChem	271463

M. W.

199.24842

CAS

1485-19-4

Similarity

N/A

ID: 143699

2-cyclobutylacetonitrile

$$$$ Data

M. F.

C6H9N

Suppliers	Catalog Number
Sigma Aldrich	CBR00052
ChemBridge	4031421

Database	Data ID
PubChem	22990584

M. W.

95.14236

CAS

4426-03-3

Similarity

N/A

ID: 143700

3-cyclopropanecarbonylpyridine

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00500
ChemBridge	4026593

Database	Data ID
PubChem	571581

M. W.

147.17386

CAS

24966-13-0

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