Chembase list of 866358 unique molecular structures

2-(trifluoromethyl)pyridine-3-carboxylic acid

$$$$ Data More

M. F.

C7H4F3NO2

Suppliers	Catalog Number
Sigma Aldrich	681261
Alfa Aesar	H31841
Matrix Scientific	024843

Database	Data ID
PubChem	2777547

M. W.

191.1073696

CAS

131747-43-8

Similarity

N/A

ID: 22452

3-aminopyridin-2-ol

$$$$ Data More

M. F.

C5H6N2O

Suppliers	Catalog Number
ChemBridge	4034758
Matrix Scientific	024844
Bide Pharmatech	BD9595

Database	Data ID
PubChem	322353

M. W.

110.11394

CAS

59315-44-5

Similarity

N/A

ID: 22453

5-fluoro-2-(trifluoromethyl)pyridine

$$$$ Data More

M. F.

C6H3F4N

Suppliers	Catalog Number
Matrix Scientific	024845
Maybridge	MAY00193
Apollo Scientific	PC8069

Database	Data ID
PubChem	26986205

M. W.

165.0883328

CAS

936841-73-5

Similarity

N/A

ID: 22454

3-fluoro-2-nitrophenol

$$$$ Data More

M. F.

C6H4FNO3

Suppliers	Catalog Number
Matrix Scientific	024846
Apollo Scientific	PC3403
Bide Pharmatech	BD3279

Database	Data ID
PubChem	2782777

M. W.

157.0992632

CAS

385-01-3

Similarity

N/A

ID: 22455

2,6-dichloropyridin-3-amine

$$$$ Data More

M. F.

C5H4Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	706361
Matrix Scientific	024847
Maybridge	RF05052

Database	Data ID
PubChem	112846

M. W.

163.00466

CAS

62476-56-6

Similarity

N/A

ID: 22456

1-bromo-2-fluoro-3-methylbenzene

$$$$ Data More

M. F.

C7H6BrF

Suppliers	Catalog Number
Sigma Aldrich	728942
Matrix Scientific	024848
Apollo Scientific	PC2446

Database	Data ID
PubChem	108855

M. W.

189.0249432

CAS

59907-12-9

Similarity

N/A

ID: 22457

1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide

$$$$ Data

M. F.

C12H14F3N3O

Suppliers	Catalog Number
Matrix Scientific	024849
Apollo Scientific	PC7344

Database	Data ID
PubChem	2821933

M. W.

273.2542696

CAS

Similarity

N/A

ID: 22458

1,3-dimethyl-1H-pyrazole

$$$$ Data More

M. F.

C5H8N2

Suppliers	Catalog Number
ChemBridge	3020421
Matrix Scientific	024850
Apollo Scientific	OR2502

Database	Data ID
PubChem	79096

M. W.

96.13042

CAS

698-48-4

Similarity

N/A

ID: 22459

1,5-dimethyl-1H-pyrazole

$$$$ Data More

M. F.

C5H8N2

Suppliers	Catalog Number
Matrix Scientific	024851
Apollo Scientific	OR2504
InterBioScreen	BB_SC-2404

Database	Data ID
PubChem	136502

M. W.

96.13042

CAS

694-31-5

Similarity

N/A

ID: 22460

2-[4-(3-nitropyridin-2-yl)piperazin-1-yl]ethan-1-ol hydrochloride

$$$$ Data

M. F.

C11H17ClN4O3

Suppliers	Catalog Number
Matrix Scientific	024852

Database	Data ID
PubChem	46735774

M. W.

288.73068

CAS

Similarity

N/A

ID: 22461

1-(4-fluoro-2-methanesulfonylphenyl)-3-methylpiperazine hydrochloride

$$$$ Data

M. F.

C12H18ClFN2O2S

Suppliers	Catalog Number
Matrix Scientific	024853

Database	Data ID
PubChem	45156872

M. W.

308.7999232

CAS

Similarity

N/A

ID: 22462

1-(2-cyanophenyl)piperidine-2-carboxylic acid

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Matrix Scientific	024854

Database	Data ID
PubChem	43199899

M. W.

230.26246

CAS

Similarity

N/A

ID: 22463

1-(2-cyanophenyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Matrix Scientific	024855

Database	Data ID
PubChem	43199895

M. W.

216.23588

CAS

Similarity

N/A

ID: 22464

1-[4-(ethanesulfonyl)-2-fluorophenyl]piperidine-3-carboxylic acid

$$$$ Data

M. F.

C14H18FNO4S

Suppliers	Catalog Number
Matrix Scientific	024856

Database	Data ID
PubChem	45156874

M. W.

315.3604232

CAS

Similarity

N/A

ID: 22465

1-(4-methanesulfonylphenyl)piperidine-2-carboxylic acid

$$$$ Data

M. F.

C13H17NO4S

Suppliers	Catalog Number
Matrix Scientific	024857

Database	Data ID
PubChem	43453286

M. W.

283.34338

CAS

Similarity

N/A

ID: 22466

4-chloro-1H-indole-2-carbohydrazide

$$$$ Data

M. F.

C9H8ClN3O

Suppliers	Catalog Number
Matrix Scientific	024858

Database	Data ID
PubChem	12356855

M. W.

209.63232

CAS

Similarity

N/A

ID: 22467

6-chloro-1H-indole-2-carbohydrazide

$$$$ Data

M. F.

C9H8ClN3O

Suppliers	Catalog Number
Matrix Scientific	024859

Database	Data ID
PubChem	28306243

M. W.

209.63232

CAS

Similarity

N/A

ID: 22468

2-methanesulfonyl-5-(trifluoromethyl)benzoic acid

$$$$ Data

M. F.

C9H7F3O4S

Suppliers	Catalog Number
Matrix Scientific	024860
Apollo Scientific	PC7471

Database	Data ID
PubChem	26598188

M. W.

268.2096896

CAS

1000339-64-9

Similarity

N/A

ID: 22469

4-fluoro-1-methanesulfonyl-2-nitrobenzene

$$$$ Data

M. F.

C7H6FNO4S

Suppliers	Catalog Number
Matrix Scientific	024861
Apollo Scientific	PC7472
Enamine	EN300-57211

Database	Data ID
PubChem	22567336

M. W.

219.1902432

CAS

Similarity

N/A

ID: 22470

5-fluoro-2-methanesulfonylaniline

$$$$ Data

M. F.

C7H8FNO2S

Suppliers	Catalog Number
Matrix Scientific	024862
Enamine	EN300-89150

Database	Data ID
PubChem	22567345

M. W.

189.2073232

CAS

1000339-65-0

Similarity

N/A

ID: 22471

1-(4-fluoro-2-methanesulfonyl-5-methylphenyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C14H19FN2O3S

Suppliers	Catalog Number
Matrix Scientific	024863
Apollo Scientific	PC7474

Database	Data ID
PubChem	26598067

M. W.

314.3756632

CAS

Similarity

N/A

ID: 22472

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

$$$$ Data

M. F.

C8H6F3NO4S

Suppliers	Catalog Number
Matrix Scientific	024864
Apollo Scientific	PC7475

Database	Data ID
PubChem	1802010

M. W.

269.1977496

CAS

Similarity

N/A

ID: 22473

2-fluoro-5-methanesulfonyl-1-methyl-3-nitrobenzene

$$$$ Data

M. F.

C8H8FNO4S

Suppliers	Catalog Number
Matrix Scientific	024866
Apollo Scientific	PC7476

Database	Data ID
PubChem	26598076

M. W.

233.2168232

CAS

Similarity

N/A

ID: 22474

1-(4-methanesulfonyl-2-methyl-6-nitrophenyl)piperazine

$$$$ Data

M. F.

C12H17N3O4S

Suppliers	Catalog Number
Matrix Scientific	024867
Apollo Scientific	OR2725

Database	Data ID
PubChem	26598119

M. W.

299.34608

CAS

Similarity

N/A

ID: 22475

1-{6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl}ethan-1-one

$$$$ Data

M. F.

C9H8ClN3O

Suppliers	Catalog Number
Matrix Scientific	024868
Apollo Scientific	OR2726

Database	Data ID
PubChem	13248806

M. W.

209.63232

CAS

Similarity

N/A

ID: 22476

ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C7H5BrF3NO2S

Suppliers	Catalog Number
Matrix Scientific	024869
Key Organics	FC-0727
A&J Pharmtech	AJA-O23960

Database	Data ID
PubChem	13282759

M. W.

304.0843096

CAS

72850-79-4

Similarity

N/A

ID: 22477

3-chloro-2-iodo-5-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C6H2ClF3IN

Suppliers	Catalog Number
Matrix Scientific	024870
Apollo Scientific	PC7479

Database	Data ID
PubChem	15933911

M. W.

307.4394596

CAS

134161-12-9

Similarity

N/A

ID: 22478

2-fluoro-3-methoxybenzoic acid

$$$$ Data More

M. F.

C8H7FO3

Suppliers	Catalog Number
Matrix Scientific	024871
Apollo Scientific	PC9295
Chemik	CHB47500

Database	Data ID
PubChem	3390679

M. W.

170.1377832

CAS

137654-20-7

Similarity

N/A

ID: 22479

2-chloro-1-methanesulfonyl-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6ClF3O2S

Suppliers	Catalog Number
Matrix Scientific	024872
Apollo Scientific	PC7481

Database	Data ID
PubChem	20616016

M. W.

258.6452496

CAS

Similarity

N/A

ID: 22480

4-(ethanesulfonyl)benzaldehyde

$$$$ Data

M. F.

C9H10O3S

Suppliers	Catalog Number
Matrix Scientific	024873
Apollo Scientific	OR2727

Database	Data ID
PubChem	13214687

M. W.

198.2389

CAS

Similarity

N/A

ID: 22481

4-(benzenesulfonyl)benzaldehyde

$$$$ Data

M. F.

C13H10O3S

Suppliers	Catalog Number
Matrix Scientific	024874
Apollo Scientific	OR2728

Database	Data ID
PubChem	14417477

M. W.

246.2817

CAS

Similarity

N/A

ID: 22482

4-fluoro-2-methanesulfonylphenol

$$$$ Data

M. F.

C7H7FO3S

Suppliers	Catalog Number
Matrix Scientific	024875
Apollo Scientific	PC7482

Database	Data ID
PubChem	26598079

M. W.

190.1920832

CAS

Similarity

N/A

ID: 22483

1-(4-fluoro-2-methanesulfonylphenyl)-4-methylpiperazine

$$$$ Data

M. F.

C12H17FN2O2S

Suppliers	Catalog Number
Matrix Scientific	024876

Database	Data ID
PubChem	26598092

M. W.

272.3389832

CAS

Similarity

N/A

ID: 22484

3-(4-fluoro-2-methanesulfonylphenoxy)benzoic acid

$$$$ Data

M. F.

C14H11FO5S

Suppliers	Catalog Number
Matrix Scientific	024877
Apollo Scientific	PC7484

Database	Data ID
PubChem	26598088

M. W.

310.2975432

CAS

Similarity

N/A

ID: 22485

ethyl 2-(morpholin-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C11H13F3N2O3S

Suppliers	Catalog Number
Matrix Scientific	024878
Apollo Scientific	PC7485

Database	Data ID
PubChem	1490754

M. W.

310.2927296

CAS

Similarity

N/A

ID: 22486

2-fluoro-4-methanesulfonylphenol

$$$$ Data

M. F.

C7H7FO3S

Suppliers	Catalog Number
Matrix Scientific	024879
Apollo Scientific	PC7486

Database	Data ID
PubChem	16128842

M. W.

190.1920832

CAS

398456-87-6

Similarity

N/A

ID: 22487

3-(4-methanesulfonylphenoxy)benzoic acid

$$$$ Data

M. F.

C14H12O5S

Suppliers	Catalog Number
Matrix Scientific	024880
Apollo Scientific	OR2729

Database	Data ID
PubChem	26598167

M. W.

292.30708

CAS

Similarity

N/A

ID: 22488

3-(2-chloro-4-methanesulfonylphenoxy)benzoic acid

$$$$ Data

M. F.

C14H11ClO5S

Suppliers	Catalog Number
Matrix Scientific	024881

Database	Data ID
PubChem	26597965

M. W.

326.75214

CAS

Similarity

N/A

ID: 22489

2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C5HBrF3NO2S

Suppliers	Catalog Number
Matrix Scientific	024882
Bide Pharmatech	BD174089
A&J Pharmtech	AJA-O3626

Database	Data ID
PubChem	22337512

M. W.

276.0311496

CAS

162651-07-2

Similarity

N/A

ID: 22490

[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

$$$$ Data

M. F.

C6H6F3NOS

Suppliers	Catalog Number
Matrix Scientific	024883

Database	Data ID
PubChem	26598111

M. W.

197.1781496

CAS

Similarity

N/A

ID: 22491

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

$$$$ Data

M. F.

C6H5F3N2OS

Suppliers	Catalog Number
Matrix Scientific	024884
Apollo Scientific	PC7489

Database	Data ID
PubChem	1486081

M. W.

210.1769096

CAS

Similarity

N/A

ID: 22492

5-(bromomethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole

$$$$ Data

M. F.

C6H5BrF3NS

Suppliers	Catalog Number
Matrix Scientific	024885
Maybridge	CC76308
Apollo Scientific	PC7493

Database	Data ID
PubChem	26597955

M. W.

260.0748096

CAS

1000339-73-0

Similarity

N/A

ID: 22493

4-methanesulfonyl-3-(4-methylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C13H20N2O2S

Suppliers	Catalog Number
Matrix Scientific	024887
Apollo Scientific	OR2506

Database	Data ID
PubChem	26598128

M. W.

268.3751

CAS

Similarity

N/A

ID: 22494

2-[3-(ethoxycarbonyl)piperidin-1-yl]-5-nitrobenzoic acid

$$$$ Data

M. F.

C15H18N2O6

Suppliers	Catalog Number
Matrix Scientific	024888
Apollo Scientific	OR8192

Database	Data ID
PubChem	44119770

M. W.

322.31322

CAS

Similarity

N/A

ID: 22495

ethyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate

$$$$ Data

M. F.

C14H19N3O4

Suppliers	Catalog Number
Matrix Scientific	024889
Apollo Scientific	OR8206

Database	Data ID
PubChem	26967617

M. W.

293.31836

CAS

Similarity

N/A

ID: 22496

1-(2-chloro-4-methanesulfonylphenyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C13H17ClN2O3S

Suppliers	Catalog Number
Matrix Scientific	024890
Apollo Scientific	OR2681

Database	Data ID
PubChem	28306244

M. W.

316.80368

CAS

Similarity

N/A

ID: 22497

1-(2-chloro-4-methanesulfonyl-5-methylphenyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C13H16ClNO4S

Suppliers	Catalog Number
Matrix Scientific	024891
Apollo Scientific	OR2701

Database	Data ID
PubChem	44118815

M. W.

317.78844

CAS

Similarity

N/A

ID: 22498

ethyl 5-methyl-1-phenyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C13H14N2O2

Suppliers	Catalog Number
Matrix Scientific	024892
Apollo Scientific	OR2731

Database	Data ID
PubChem	10900438

M. W.

230.26246

CAS

81153-64-2

Similarity

N/A

ID: 22499

2-methyl-4-nitro-1H-indole

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
Matrix Scientific	024893
Apollo Scientific	OR2507
Bide Pharmatech	BD76962

Database	Data ID
PubChem	11095150

M. W.

176.17202

CAS

3484-10-4

Similarity

N/A

ID: 22500

3-chloro-2-methyl-5-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C7H5ClF3N

Suppliers	Catalog Number
Matrix Scientific	024894
Apollo Scientific	PC1939

Database	Data ID
PubChem	2736627

M. W.

195.5695096

CAS

175277-30-2

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