Chembase list of 866358 unique molecular structures

4-N-butyl-6-chloropyrimidine-4,5-diamine

$$$$ Data

M. F.

C8H13ClN4

Suppliers	Catalog Number
Life Chemicals	F2124-0087

Database	Data ID
PubChem	227571

M. W.

200.66862

CAS

41259-67-0

Similarity

N/A

ID: 114802

6-chloro-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine

$$$$ Data

M. F.

C9H13ClN4O

Suppliers	Catalog Number
Life Chemicals	F2124-0089

Database	Data ID
PubChem	4463472

M. W.

228.67872

CAS

Similarity

N/A

ID: 114803

6-chloro-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine

$$$$ Data

M. F.

C9H9ClN4O

Suppliers	Catalog Number
Life Chemicals	F2124-0090

Database	Data ID
PubChem	264775

M. W.

224.64696

CAS

17801-47-7

Similarity

N/A

ID: 114804

6-chloro-4-N-cyclopentylpyrimidine-4,5-diamine

$$$$ Data

M. F.

C9H13ClN4

Suppliers	Catalog Number
Life Chemicals	F2124-0091

Database	Data ID
PubChem	227368

M. W.

212.67932

CAS

5452-43-7

Similarity

N/A

ID: 114805

6-chloro-4-N-(prop-2-en-1-yl)pyrimidine-4,5-diamine

$$$$ Data

M. F.

C7H9ClN4

Suppliers	Catalog Number
Life Chemicals	F2124-0092

Database	Data ID
PubChem	253370

M. W.

184.62616

CAS

181304-94-9

Similarity

N/A

ID: 114806

1-(5-amino-6-chloropyrimidin-4-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C10H13ClN4O2

Suppliers	Catalog Number
Life Chemicals	F2124-0096

Database	Data ID
PubChem	7147170

M. W.

256.68882

CAS

882770-44-7

Similarity

N/A

ID: 114807

2-chloro-4-N-methylpyrimidine-4,5-diamine

$$$$ Data

M. F.

C5H7ClN4

Suppliers	Catalog Number
Life Chemicals	F2124-0098
A&J Pharmtech	AJA-O25632

Database	Data ID
PubChem	7147172

M. W.

158.58888

CAS

17587-95-0

Similarity

N/A

ID: 114808

2-chloro-9-methyl-9H-purine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Life Chemicals	F2124-0099
Bide Pharmatech	BD168228

Database	Data ID
PubChem	7147173

M. W.

168.5837

CAS

2346-73-8

Similarity

N/A

ID: 114809

2-chloro-9-(propan-2-yl)-9H-purine

$$$$ Data

M. F.

C8H9ClN4

Suppliers	Catalog Number
Life Chemicals	F2124-0101

Database	Data ID
PubChem	7147175

M. W.

196.63686

CAS

Similarity

N/A

ID: 114810

1-(5-amino-2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C11H15ClN4O2

Suppliers	Catalog Number
Life Chemicals	F2124-0123

Database	Data ID
PubChem	7147207

M. W.

270.7154

CAS

Similarity

N/A

ID: 114811

6-chloro-N-ethyl-5-nitropyrimidin-4-amine

$$$$ Data

M. F.

C6H7ClN4O2

Suppliers	Catalog Number
Life Chemicals	F2124-0124

Database	Data ID
PubChem	7147209

M. W.

202.59838

CAS

25710-24-1

Similarity

N/A

ID: 114812

1-(6-chloro-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C10H11ClN4O4

Suppliers	Catalog Number
Life Chemicals	F2124-0141

Database	Data ID
PubChem	7147231

M. W.

286.67174

CAS

Similarity

N/A

ID: 114813

2-chloro-N-methyl-5-nitropyrimidin-4-amine

$$$$ Data

M. F.

C5H5ClN4O2

Suppliers	Catalog Number
Life Chemicals	F2124-0142
A&J Pharmtech	AJA-O25634

Database	Data ID
PubChem	7147232

M. W.

188.5718

CAS

89283-49-8

Similarity

N/A

ID: 114814

2-chloro-N-cyclopentyl-5-nitropyrimidin-4-amine

$$$$ Data

M. F.

C9H11ClN4O2

Suppliers	Catalog Number
Life Chemicals	F2124-0154

Database	Data ID
PubChem	7147253

M. W.

242.66224

CAS

Similarity

N/A

ID: 114815

1-(9-methyl-9H-purin-6-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C12H15N5O2

Suppliers	Catalog Number
Life Chemicals	F2124-0180

Database	Data ID
PubChem	7147288

M. W.

261.2798

CAS

Similarity

N/A

ID: 114816

2-(1H-imidazole-2-carbonyl)pyridine

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Life Chemicals	F2124-0181

Database	Data ID
PubChem	7147289

M. W.

173.17138

CAS

Similarity

N/A

ID: 114817

3-(1H-imidazole-2-carbonyl)pyridine

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Life Chemicals	F2124-0182

Database	Data ID
PubChem	7147291

M. W.

173.17138

CAS

Similarity

N/A

ID: 114818

4-(1H-imidazole-2-carbonyl)pyridine

$$$$ Data

M. F.

C9H7N3O

Suppliers	Catalog Number
Life Chemicals	F2124-0183

Database	Data ID
PubChem	7147292

M. W.

173.17138

CAS

Similarity

N/A

ID: 114819

2-azabicyclo[3.1.0]hexane-1-carboxylic acid

$$$$ Data

M. F.

C6H9NO2

Suppliers	Catalog Number
Life Chemicals	F2124-0184

Database	Data ID
PubChem	10464360

M. W.

127.14116

CAS

Similarity

N/A

ID: 114820

6,7-dimethyl-4-azatricyclo[4.3.0.0³,⁷]nonane-3-carboxylic ...

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
Life Chemicals	F2124-0187

Database	Data ID
PubChem	4736824

M. W.

195.25818

CAS

Similarity

N/A

ID: 114821

7-phenylpteridin-4-ol

$$$$ Data

M. F.

C12H8N4O

Suppliers	Catalog Number
Life Chemicals	F2124-0197

Database	Data ID
PubChem	5409007

M. W.

224.21812

CAS

Similarity

N/A

ID: 114822

7-(4-fluorophenyl)pteridin-4-ol

$$$$ Data

M. F.

C12H7FN4O

Suppliers	Catalog Number
Life Chemicals	F2124-0198

Database	Data ID
PubChem	7147315

M. W.

242.2085832

CAS

Similarity

N/A

ID: 114823

6,7-dimethylpteridin-4-ol

$$$$ Data

M. F.

C8H8N4O

Suppliers	Catalog Number
Life Chemicals	F2124-0199

Database	Data ID
PubChem	5355832

M. W.

176.17532

CAS

14684-54-9

Similarity

N/A

ID: 114824

2-chloro-5,6,7,8-tetrahydroquinolin-5-one

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Life Chemicals	F2124-0229
A&J Pharmtech	AJA-O23513

Database	Data ID
PubChem	592839

M. W.

181.61892

CAS

124467-36-3

Similarity

N/A

ID: 114825

7-methyl-1,8-naphthyridine-2-carboxylic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Life Chemicals	F2124-0230

Database	Data ID
PubChem	40815981

M. W.

188.18272

CAS

Similarity

N/A

ID: 114826

2-chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-one

$$$$ Data

M. F.

C11H12ClNO

Suppliers	Catalog Number
Life Chemicals	F2124-0240

Database	Data ID
PubChem	14812545

M. W.

209.67208

CAS

135219-84-0

Similarity

N/A

ID: 114827

1-ethyl-3,5-dimethyl-1H-pyrazol-4-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
ChemBridge	4029165
Life Chemicals	F2124-0254
Enamine	EN300-91426

Database	Data ID
PubChem	1125228

M. W.

139.19822

CAS

63203-90-7

Similarity

N/A

ID: 114828

5-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H11NO4

Suppliers	Catalog Number
Life Chemicals	F2124-0295

Database	Data ID
PubChem	44891517

M. W.

209.19864

CAS

Similarity

N/A

ID: 114829

5-hydroxy-1,2,5,6,7,8-hexahydroquinolin-2-one

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Life Chemicals	F2124-0300

Database	Data ID
PubChem	44891519

M. W.

165.18914

CAS

Similarity

N/A

ID: 114830

5-hydroxy-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinolin-2-one

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Life Chemicals	F2124-0301

Database	Data ID
PubChem	44891520

M. W.

193.2423

CAS

Similarity

N/A

ID: 114831

5-hydroxy-1-methyl-1,2,5,6,7,8-hexahydroquinolin-2-one

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Life Chemicals	F2124-0302

Database	Data ID
PubChem	44891521

M. W.

179.21572

CAS

Similarity

N/A

ID: 114832

5-hydroxy-1,7,7-trimethyl-1,2,5,6,7,8-hexahydroquinolin-2-one

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
Life Chemicals	F2124-0303

Database	Data ID
PubChem	44116686

M. W.

207.26888

CAS

Similarity

N/A

ID: 114833

2-(5-hydroxy-2-oxo-1,2,5,6,7,8-hexahydroquinolin-1-yl)acetic acid

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Life Chemicals	F2124-0306

Database	Data ID
PubChem	44891522

M. W.

223.22522

CAS

Similarity

N/A

ID: 114834

2-(5-hydroxy-7,7-dimethyl-2-oxo-1,2,5,6,7,8-hexahydroquinolin-1-yl)acetic acid

$$$$ Data

M. F.

C13H17NO4

Suppliers	Catalog Number
Life Chemicals	F2124-0308

Database	Data ID
PubChem	44891523

M. W.

251.27838

CAS

Similarity

N/A

ID: 114835

2-chloro-5,6,7,8-tetrahydroquinolin-5-ol

$$$$ Data

M. F.

C9H10ClNO

Suppliers	Catalog Number
Life Chemicals	F2124-0309

Database	Data ID
PubChem	44116687

M. W.

183.6348

CAS

Similarity

N/A

ID: 114836

2-chloro-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol

$$$$ Data

M. F.

C11H14ClNO

Suppliers	Catalog Number
Life Chemicals	F2124-0310

Database	Data ID
PubChem	44116688

M. W.

211.68796

CAS

Similarity

N/A

ID: 114837

2-chloro-5-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H10ClNO3

Suppliers	Catalog Number
Life Chemicals	F2124-0319

Database	Data ID
PubChem	44891526

M. W.

227.6443

CAS

Similarity

N/A

ID: 114838

spiro[bicyclo[3.3.1]nonane-9,2'-[1,3]dithiolane]-3-carboxylic acid

$$$$ Data

M. F.

C12H18O2S2

Suppliers	Catalog Number
Life Chemicals	F2124-0340
Enamine	EN300-00133

Database	Data ID
PubChem	3733146

M. W.

258.40012

CAS

Similarity

N/A

ID: 114839

2-[5-(propan-2-yl)-1-benzofuran-3-yl]acetic acid

$$$$ Data

M. F.

C13H14O3

Suppliers	Catalog Number
Life Chemicals	F2124-0359

Database	Data ID
PubChem	4737022

M. W.

218.24846

CAS

Similarity

N/A

ID: 114840

3-methyl-4H-1,4-benzothiazine-2-carboxylic acid

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Life Chemicals	F2124-0365
InterBioScreen	BB_SC-5648

Database	Data ID
PubChem	4738066

M. W.

207.24896

CAS

Similarity

N/A

ID: 114841

5-bromo-2-methyl-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C9H10BrN

Suppliers	Catalog Number
Life Chemicals	F2124-0403

Database	Data ID
PubChem	11984030

M. W.

212.0864

CAS

99847-70-8

Similarity

N/A

ID: 114842

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C4H5N3O2S2

Suppliers	Catalog Number
ChemBridge	4002080
Life Chemicals	F2124-0410
Enamine	EN300-00088

Database	Data ID
PubChem	2342093

M. W.

191.2314

CAS

32418-26-1

Similarity

N/A

ID: 114843

bis(furan-2-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C11H8N2O2S

Suppliers	Catalog Number
Life Chemicals	F2124-0422
Enamine	EN300-02825

Database	Data ID
PubChem	2428993

M. W.

232.25842

CAS

Similarity

N/A

ID: 114844

3-(pyrrolidin-1-yl)quinoxalin-2-amine

$$$$ Data

M. F.

C12H14N4

Suppliers	Catalog Number
Life Chemicals	F2124-0428
InterBioScreen	BB_SC-1911
Enamine	EN300-07262

Database	Data ID
PubChem	2041326

M. W.

214.26636

CAS

Similarity

N/A

ID: 114845

2-(1H-indol-3-yl)-2-(thiophen-2-yl)ethan-1-amine

$$$$ Data

M. F.

C14H14N2S

Suppliers	Catalog Number
Life Chemicals	F2124-0429
InterBioScreen	BB_SC-3619
Enamine	EN300-07385

Database	Data ID
PubChem	3745859

M. W.

242.33936

CAS

51626-50-7

Similarity

N/A

ID: 114846

7-bromo-2,3-dihydro-1,4-benzodioxin-6-amine

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Life Chemicals	F2124-0435

Database	Data ID
PubChem	4983229

M. W.

230.05862

CAS

Similarity

N/A

ID: 114847

1-(3-aminopropyl)azepan-2-one

$$$$ Data

M. F.

C9H18N2O

Suppliers	Catalog Number
Life Chemicals	F2124-0447
Enamine	EN300-12162

Database	Data ID
PubChem	90542

M. W.

170.25202

CAS

24566-95-8

Similarity

N/A

ID: 114848

ethyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C7H10N2O3

Suppliers	Catalog Number
Life Chemicals	F2124-0455
Enamine	EN300-13563
A&J Pharmtech	AJA-O11172 AJA-O12905

Database	Data ID
PubChem	713870

M. W.

170.1659

CAS

25786-72-5

Similarity

N/A

ID: 114849

5-amino-3-methyl-1,2-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C5H6N2O2S

Suppliers	Catalog Number
Life Chemicals	F2124-0459
Enamine	EN300-14305
Bide Pharmatech	BD102257

Database	Data ID
PubChem	152440

M. W.

158.17834

CAS

22131-51-7

Similarity

N/A

ID: 114850

5-amino-3-methyl-1,2-oxazole-4-carboxylic acid

$$$$ Data More

M. F.

C5H6N2O3

Suppliers	Catalog Number
ChemBridge	4028177
Life Chemicals	F2124-0461
Enamine	EN300-14676

Database	Data ID
PubChem	1265501

M. W.

142.11274

CAS

84661-50-7

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