Chembase list of 866358 unique molecular structures

2-bromo-1-(3,4-dimethylphenyl)propan-1-one

$$$$ Data

M. F.

C11H13BrO

Suppliers	Catalog Number
Matrix Scientific	038024

Database	Data ID
PubChem	25219638

M. W.

241.12432

CAS

Similarity

N/A

ID: 35252

2-{2-[2-(dimethylamino)ethyl]-5-methyl-1H-indol-3-yl}ethan-1-amine

$$$$ Data

M. F.

C15H23N3

Suppliers	Catalog Number
Matrix Scientific	038025

Database	Data ID
PubChem	25219639

M. W.

245.36322

CAS

Similarity

N/A

ID: 35253

2-(2-{2-[benzyl(methyl)amino]ethyl}-5-methyl-1H-indol-3-yl)ethan-1-amine

$$$$ Data

M. F.

C21H27N3

Suppliers	Catalog Number
Matrix Scientific	038026

Database	Data ID
PubChem	25219640

M. W.

321.45918

CAS

Similarity

N/A

ID: 35254

5-(4-fluorophenyl)-1,2-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C13H12FNO2

Suppliers	Catalog Number
Matrix Scientific	038027

Database	Data ID
PubChem	5311559

M. W.

233.2382832

CAS

Similarity

N/A

ID: 35255

2-[5-(benzyloxy)-1H-indol-3-yl]ethan-1-amine

$$$$ Data

M. F.

C17H18N2O

Suppliers	Catalog Number
Matrix Scientific	038028
InterBioScreen	Bio-0863

Database	Data ID
Wikipedia	5-Benzyloxytryptamine
PubChem	89576

M. W.

266.33762

CAS

52055-23-9

Similarity

N/A

ID: 35256

1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C14H14FNO2

Suppliers	Catalog Number
Matrix Scientific	038029

Database	Data ID
PubChem	5311555

M. W.

247.2648632

CAS

Similarity

N/A

ID: 35257

1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C11H17NO3

Suppliers	Catalog Number
Matrix Scientific	038030

Database	Data ID
PubChem	25219641

M. W.

211.25758

CAS

Similarity

N/A

ID: 35258

4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine

$$$$ Data

M. F.

C11H12N4

Suppliers	Catalog Number
ChemBridge	4010473
Matrix Scientific	038031
InterBioScreen	BB_NC-1874 STOCK1N-70839

Database	Data ID
PubChem	16394706

M. W.

200.23978

CAS

7271-08-1

Similarity

N/A

ID: 35259

1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C17H18N2O2

Suppliers	Catalog Number
Matrix Scientific	038032

Database	Data ID
PubChem	5311556

M. W.

282.33702

CAS

Similarity

N/A

ID: 35260

methyl 3-isocyanatopropanoate

$$$$ Data

M. F.

C5H7NO3

Suppliers	Catalog Number
Matrix Scientific	038033
InterBioScreen	BB_NC-2138

Database	Data ID
PubChem	2769480

M. W.

129.11398

CAS

50835-77-3

Similarity

N/A

ID: 35261

1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
ChemBridge	3020287
Matrix Scientific	038034
Enamine	EN300-13492

Database	Data ID
PubChem	4962470

M. W.

219.23652

CAS

854357-51-0

Similarity

N/A

ID: 35262

2-amino-3,5-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	038035

Database	Data ID
PubChem	25219642

M. W.

200.25808

CAS

Similarity

N/A

ID: 35263

1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C10H15NO3

Suppliers	Catalog Number
ChemBridge	3020291
Matrix Scientific	038036

Database	Data ID
PubChem	16792288

M. W.

197.231

CAS

876294-73-4

Similarity

N/A

ID: 35264

ethyl 6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate

$$$$ Data

M. F.

C14H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	038037

Database	Data ID
PubChem	11173322

M. W.

272.32228

CAS

752244-05-6

Similarity

N/A

ID: 35265

6-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

$$$$ Data More

M. F.

C12H8N2OS

Suppliers	Catalog Number
Matrix Scientific	038038
Key Organics	2E-127S
Life Chemicals	F1996-0024

Database	Data ID
PubChem	329948

M. W.

228.26972

CAS

74630-73-2

Similarity

N/A

ID: 35266

ethyl 5-formyl-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxylate

$$$$ Data

M. F.

C15H12N2O3S

Suppliers	Catalog Number
Matrix Scientific	038039

Database	Data ID
PubChem	11381045

M. W.

300.33238

CAS

Similarity

N/A

ID: 35267

2-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine

$$$$ Data

M. F.

C15H15NO

Suppliers	Catalog Number
Matrix Scientific	038040

Database	Data ID
PubChem	25219643

M. W.

225.2857

CAS

Similarity

N/A

ID: 35268

2-[9-methoxy-2-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]acetic...

$$$$ Data

M. F.

C19H21NO5

Suppliers	Catalog Number
Matrix Scientific	038041

Database	Data ID
PubChem	25219644

M. W.

343.37374

CAS

Similarity

N/A

ID: 35269

3-(7-chloro-2-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl)propanoic acid

$$$$ Data

M. F.

C13H16ClNO3

Suppliers	Catalog Number
Matrix Scientific	038042

Database	Data ID
PubChem	25219645

M. W.

269.72404

CAS

Similarity

N/A

ID: 35270

6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

$$$$ Data

M. F.

C12H7ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	038043

Database	Data ID
PubChem	25219646

M. W.

278.71418

CAS

912770-34-4

Similarity

N/A

ID: 35271

6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

$$$$ Data

M. F.

C12H7FN2O2S

Suppliers	Catalog Number
Matrix Scientific	038044

Database	Data ID
PubChem	25219647

M. W.

262.2595832

CAS

912770-16-2

Similarity

N/A

ID: 35272

6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylic acid

$$$$ Data

M. F.

C12H7FN2O2S

Suppliers	Catalog Number
Matrix Scientific	038045

Database	Data ID
PubChem	25219648

M. W.

262.2595832

CAS

Similarity

N/A

ID: 35273

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid

$$$$ Data

M. F.

C9H9ClF2N2O2

Suppliers	Catalog Number
Matrix Scientific	038046
Enamine	EN300-83655

Database	Data ID
PubChem	7017083

M. W.

250.6297664

CAS

Similarity

N/A

ID: 35274

2,8-dimethyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

$$$$ Data More

M. F.

C13H16N2

Suppliers	Catalog Number
ChemBridge	3020300
Matrix Scientific	038047
Key Organics	SS-3096

Database	Data ID
PubChem	209291

M. W.

200.27954

CAS

19686-05-6

Similarity

N/A

ID: 35275

2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O

Suppliers	Catalog Number
Matrix Scientific	038048

Database	Data ID
PubChem	4715396

M. W.

250.29516

CAS

Similarity

N/A

ID: 35276

2-(2,5-dimethylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O

Suppliers	Catalog Number
Matrix Scientific	038049

Database	Data ID
PubChem	4715285

M. W.

250.29516

CAS

Similarity

N/A

ID: 35277

2-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C15H12N2O

Suppliers	Catalog Number
Matrix Scientific	038050

Database	Data ID
PubChem	25219649

M. W.

236.26858

CAS

Similarity

N/A

ID: 35278

7-methyl-2-(3-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O

Suppliers	Catalog Number
Matrix Scientific	038051

Database	Data ID
PubChem	25219650

M. W.

250.29516

CAS

Similarity

N/A

ID: 35279

7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C15H12N2O

Suppliers	Catalog Number
Matrix Scientific	038052

Database	Data ID
PubChem	2759989

M. W.

236.26858

CAS

Similarity

N/A

ID: 35280

2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data More

M. F.

C14H10N2O

Suppliers	Catalog Number
Matrix Scientific	038053
Life Chemicals	F1912-0019
InterBioScreen	BB_SC-9836

Database	Data ID
PubChem	820933

M. W.

222.242

CAS

3672-39-7

Similarity

N/A

ID: 35281

1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C13H13NO3

Suppliers	Catalog Number
Matrix Scientific	038054

Database	Data ID
PubChem	25219651

M. W.

231.24722

CAS

Similarity

N/A

ID: 35282

4-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid

$$$$ Data

M. F.

C16H17NO4

Suppliers	Catalog Number
Matrix Scientific	038055

Database	Data ID
PubChem	292953

M. W.

287.31048

CAS

Similarity

N/A

ID: 35283

ethyl 2-amino-4-methylpentanoate

$$$$ Data

M. F.

C8H17NO2

Suppliers	Catalog Number
Matrix Scientific	038056

Database	Data ID
PubChem	158178

M. W.

159.22608

CAS

2743-40-0

Similarity

N/A

ID: 35284

2-(1-ethyl-2-methyl-1H-1,3-benzodiazol-5-yl)acetic acid

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
Matrix Scientific	038057

Database	Data ID
PubChem	25219652

M. W.

218.25176

CAS

Similarity

N/A

ID: 35285

6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C15H12N2O

Suppliers	Catalog Number
Matrix Scientific	038058

Database	Data ID
PubChem	2759988

M. W.

236.26858

CAS

Similarity

N/A

ID: 35286

2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O2

Suppliers	Catalog Number
Matrix Scientific	038059

Database	Data ID
PubChem	2759667

M. W.

266.29456

CAS

Similarity

N/A

ID: 35287

2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O2

Suppliers	Catalog Number
Matrix Scientific	038060

Database	Data ID
PubChem	2759666

M. W.

266.29456

CAS

727975-82-8

Similarity

N/A

ID: 35288

ethyl 2-(1-isocyanatocyclohexyl)acetate

$$$$ Data

M. F.

C11H17NO3

Suppliers	Catalog Number
Matrix Scientific	038061

Database	Data ID
PubChem	8027186

M. W.

211.25758

CAS

Similarity

N/A

ID: 35289

3-(trimethyl-1H-pyrazol-4-yl)propanoic acid

$$$$ Data More

M. F.

C9H14N2O2

Suppliers	Catalog Number
ChemBridge	4003373
Matrix Scientific	038062
InterBioScreen	BB_SC-3771

Database	Data ID
PubChem	3157816

M. W.

182.21966

CAS

Similarity

N/A

ID: 35290

2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C17H16N2O

Suppliers	Catalog Number
Matrix Scientific	038063

Database	Data ID
PubChem	25219653

M. W.

264.32174

CAS

Similarity

N/A

ID: 35291

2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C17H16N2O

Suppliers	Catalog Number
Matrix Scientific	038064

Database	Data ID
PubChem	25219654

M. W.

264.32174

CAS

Similarity

N/A

ID: 35292

2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C15H12N2O2

Suppliers	Catalog Number
Matrix Scientific	038065

Database	Data ID
PubChem	16767585

M. W.

252.26798

CAS

Similarity

N/A

ID: 35293

2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O2

Suppliers	Catalog Number
Matrix Scientific	038066

Database	Data ID
PubChem	25219655

M. W.

266.29456

CAS

Similarity

N/A

ID: 35294

2-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acid

$$$$ Data

M. F.

C11H15NO4

Suppliers	Catalog Number
Matrix Scientific	038067
Enamine	EN300-14332

Database	Data ID
PubChem	7130686

M. W.

225.2411

CAS

Similarity

N/A

ID: 35295

3-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoic acid

$$$$ Data

M. F.

C16H17NO4

Suppliers	Catalog Number
Matrix Scientific	038068

Database	Data ID
PubChem	25219656

M. W.

287.31048

CAS

Similarity

N/A

ID: 35296

2-{[1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl}acetic acid

$$$$ Data

M. F.

C7H6N4O2S

Suppliers	Catalog Number
Matrix Scientific	038069
InterBioScreen	BB_SC-7477

Database	Data ID
PubChem	4737214

M. W.

210.21314

CAS

Similarity

N/A

ID: 35297

5-methoxy-2-methyl-1H-indole

$$$$ Data More

M. F.

C10H11NO

Suppliers	Catalog Number
Sigma Aldrich	M15451
Alfa Aesar	B21348
Matrix Scientific	038070

Database	Data ID
PubChem	70642

M. W.

161.20044

CAS

1076-74-0

Similarity

N/A

ID: 35298

7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O

Suppliers	Catalog Number
Matrix Scientific	038071

Database	Data ID
PubChem	2760105

M. W.

250.29516

CAS

Similarity

N/A

ID: 35299

2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde

$$$$ Data

M. F.

C16H14N2O2

Suppliers	Catalog Number
Matrix Scientific	038072

Database	Data ID
PubChem	25219657

M. W.

266.29456

CAS

Similarity

N/A

ID: 35300

6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

$$$$ Data

M. F.

C14H12N2OS

Suppliers	Catalog Number
Matrix Scientific	038073

Database	Data ID
PubChem	3776261

M. W.

256.32288

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