Chembase list of 866358 unique molecular structures

3-(thiophen-2-yl)-1H-1,2,4-triazol-5-amine

$$$$ Data

M. F.

C6H6N4S

Suppliers	Catalog Number
ChemBridge	4035374
InterBioScreen	BB_SC-7407
Enamine	EN300-02628

Database	Data ID
PubChem	10797134

M. W.

166.20364

CAS

4922-99-0

Similarity

N/A

ID: 123502

10H-5λ⁶,10-phenothiazine-5,5-dione

$$$$ Data

M. F.

C12H9NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7410

Database	Data ID
PubChem	71024

M. W.

231.27036

CAS

Similarity

N/A

ID: 123503

3-(4-aminopiperidin-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one dihydrochlori...

$$$$ Data

M. F.

C15H23Cl2N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7411

Database	Data ID
PubChem	51051886

M. W.

332.26862

CAS

Similarity

N/A

ID: 123504

methyl 2-amino-4-methyl-1,3-benzothiazole-6-carboxylate

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7412

Database	Data ID
PubChem	22634159

M. W.

222.2636

CAS

Similarity

N/A

ID: 123505

2-(piperidin-1-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)aniline

$$$$ Data

M. F.

C12H16N6

Suppliers	Catalog Number
InterBioScreen	BB_SC-7413

Database	Data ID
PubChem	28643022

M. W.

244.29564

CAS

Similarity

N/A

ID: 123506

2-(morpholin-4-yl)-5-(1H-1,2,3,4-tetrazol-1-yl)aniline

$$$$ Data

M. F.

C11H14N6O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7414

Database	Data ID
PubChem	28643023

M. W.

246.26846

CAS

Similarity

N/A

ID: 123507

2-[5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]ethan-1-ol

$$$$ Data

M. F.

C9H9ClN4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7415

Database	Data ID
PubChem	15187914

M. W.

224.64696

CAS

Similarity

N/A

ID: 123508

2-[5-(3-amino-4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetamide

$$$$ Data

M. F.

C10H12N6O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7416

Database	Data ID
PubChem	28643040

M. W.

232.24188

CAS

Similarity

N/A

ID: 123509

2-[5-(4-hydroxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

$$$$ Data

M. F.

C9H8N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-7417

Database	Data ID
PubChem	13402034

M. W.

220.18482

CAS

Similarity

N/A

ID: 123510

2-(4H-1,2,4-triazol-4-yl)benzoic acid

$$$$ Data

M. F.

C9H7N3O2

Suppliers	Catalog Number
ChemBridge	4032332
InterBioScreen	BB_SC-7418

Database	Data ID
PubChem	20565781

M. W.

189.17078

CAS

167626-65-5

Similarity

N/A

ID: 123511

3-(4H-1,2,4-triazol-4-yl)phenol

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Sigma Aldrich	CBR00140
ChemBridge	4028150
InterBioScreen	BB_SC-7419

Database	Data ID
PubChem	17174911

M. W.

161.16068

CAS

746656-39-3

Similarity

N/A

ID: 123512

methyl 3-amino-4-(piperidin-1-yl)benzoate hydrochloride

$$$$ Data

M. F.

C13H19ClN2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7425

Database	Data ID
PubChem	51051887

M. W.

270.75516

CAS

Similarity

N/A

ID: 123513

1-(4-chlorophenyl)-5-methyl-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C12H10ClNO

Suppliers	Catalog Number
InterBioScreen	BB_SC-7426

Database	Data ID
PubChem	12648083

M. W.

219.6669

CAS

Similarity

N/A

ID: 123514

1-(2-methoxyethyl)-2,4,5-trimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C11H17NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7427

Database	Data ID
PubChem	30030212

M. W.

195.25818

CAS

Similarity

N/A

ID: 123515

1-(3-methoxypropyl)-2,4,5-trimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C12H19NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7428

Database	Data ID
PubChem	30030214

M. W.

209.28476

CAS

Similarity

N/A

ID: 123516

1-benzyl-2,4,5-trimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C15H17NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-7429

Database	Data ID
PubChem	30030289

M. W.

227.30158

CAS

Similarity

N/A

ID: 123517

2,4,5-trimethyl-1-(oxolan-2-ylmethyl)-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7430

Database	Data ID
PubChem	43866453

M. W.

221.29546

CAS

Similarity

N/A

ID: 123518

1-(furan-2-ylmethyl)-2,4,5-trimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C13H15NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7431

Database	Data ID
PubChem	30030302

M. W.

217.2637

CAS

Similarity

N/A

ID: 123519

N-(4-aminophenyl)-2-(dimethylamino)acetamide dihydrochloride

$$$$ Data

M. F.

C10H17Cl2N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7432

Database	Data ID
PubChem	51051888

M. W.

266.16748

CAS

Similarity

N/A

ID: 123520

N-(2-aminophenyl)-2-(dimethylamino)acetamide

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
ChemBridge	4028441
InterBioScreen	BB_SC-7433

Database	Data ID
PubChem	16784338

M. W.

193.2456

CAS

35266-48-9

Similarity

N/A

ID: 123521

3-chloro-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7436

Database	Data ID
PubChem	45492806

M. W.

208.64426

CAS

Similarity

N/A

ID: 123522

3,7-dichloro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

$$$$ Data

M. F.

C9H6Cl2N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7437

Database	Data ID
PubChem	789976

M. W.

229.06274

CAS

Similarity

N/A

ID: 123523

4-amino-N-(pyridin-3-ylmethyl)benzamide

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7443

Database	Data ID
PubChem	577833

M. W.

227.26182

CAS

Similarity

N/A

ID: 123524

4-amino-N-(pyridin-3-yl)benzamide

$$$$ Data

M. F.

C12H11N3O

Suppliers	Catalog Number
ChemBridge	4030188
InterBioScreen	BB_SC-7444
Enamine	EN300-33559

Database	Data ID
PubChem	215946

M. W.

213.23524

CAS

13160-59-3

Similarity

N/A

ID: 123525

4-amino-N-(2-hydroxyethyl)-N-methylbenzamide

$$$$ Data

M. F.

C10H14N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7446

Database	Data ID
PubChem	43345855

M. W.

194.23036

CAS

Similarity

N/A

ID: 123526

3-amino-N-(2-phenylethyl)benzamide hydrochloride

$$$$ Data

M. F.

C15H17ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7450

Database	Data ID
PubChem	50851071

M. W.

276.76128

CAS

Similarity

N/A

ID: 123527

3-amino-N-(2,4-difluorophenyl)benzamide

$$$$ Data

M. F.

C13H10F2N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7451

Database	Data ID
PubChem	16781217

M. W.

248.2281064

CAS

Similarity

N/A

ID: 123528

3-amino-N-(pyridin-3-ylmethyl)benzamide

$$$$ Data

M. F.

C13H13N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7454

Database	Data ID
PubChem	308742

M. W.

227.26182

CAS

Similarity

N/A

ID: 123529

3-amino-N-(pyridin-3-yl)benzamide

$$$$ Data

M. F.

C12H11N3O

Suppliers	Catalog Number
ChemBridge	4031231
InterBioScreen	BB_SC-7455

Database	Data ID
PubChem	12109483

M. W.

213.23524

CAS

25844-48-8

Similarity

N/A

ID: 123530

4-chloro-3-(4-methylpiperazine-1-carbonyl)aniline

$$$$ Data

M. F.

C12H16ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7464

Database	Data ID
PubChem	16771669

M. W.

253.72794

CAS

Similarity

N/A

ID: 123531

3-amino-N-benzyl-4-methoxybenzamide

$$$$ Data

M. F.

C15H16N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7465

Database	Data ID
PubChem	20112312

M. W.

256.29974

CAS

Similarity

N/A

ID: 123532

2-(1H-1,2,3,4-tetrazol-1-yl)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylic acid

$$$$ Data

M. F.

C9H8N4O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7468

Database	Data ID
PubChem	39732824

M. W.

236.25042

CAS

Similarity

N/A

ID: 123533

3-(1H-pyrrol-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-7469

Database	Data ID
PubChem	45491433

M. W.

133.15058

CAS

Similarity

N/A

ID: 123534

4-(1H-pyrrol-2-yl)pyrimidine-2-thiol

$$$$ Data

M. F.

C8H7N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7470

Database	Data ID
PubChem	45494101

M. W.

177.22628

CAS

Similarity

N/A

ID: 123535

5-(1H-pyrrol-2-yl)-1,2-oxazole

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-7471

Database	Data ID
PubChem	24879708

M. W.

134.13534

CAS

Similarity

N/A

ID: 123536

ethyl 5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

$$$$ Data

M. F.

C10H10N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7472

Database	Data ID
PubChem	731240

M. W.

238.263

CAS

Similarity

N/A

ID: 123537

2-{[3-(propan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C10H12N4O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7478

Database	Data ID
PubChem	45495865

M. W.

252.29288

CAS

Similarity

N/A

ID: 123538

6-hydrazinyl-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine

$$$$ Data

M. F.

C6H8N6

Suppliers	Catalog Number
ChemBridge	4101369
InterBioScreen	BB_SC-7480

Database	Data ID
PubChem	12583717

M. W.

164.16792

CAS

7190-90-1

Similarity

N/A

ID: 123539

6-hydrazinyl-3-(propan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine

$$$$ Data

M. F.

C8H12N6

Suppliers	Catalog Number
InterBioScreen	BB_SC-7481

Database	Data ID
PubChem	45494512

M. W.

192.22108

CAS

Similarity

N/A

ID: 123540

3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propanoic acid

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-7482

Database	Data ID
PubChem	28804523

M. W.

191.18666

CAS

Similarity

N/A

ID: 123541

2-(1,3-benzothiazol-2-yl)-4-chloro-3-oxobutanenitrile

$$$$ Data

M. F.

C11H7ClN2OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-7483

Database	Data ID
PubChem	5164190

M. W.

250.70408

CAS

Similarity

N/A

ID: 123542

4-chloro-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

$$$$ Data

M. F.

C13H9ClN2OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-7484
Enamine	EN300-12458

Database	Data ID
PubChem	4961905

M. W.

276.74136

CAS

Similarity

N/A

ID: 123543

4-chloro-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile

$$$$ Data

M. F.

C8H7ClN2OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-7485
Enamine	EN300-12945

Database	Data ID
PubChem	4962145

M. W.

214.67198

CAS

Similarity

N/A

ID: 123544

5-amino-1-(2-methoxyethyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-pyrrol-3...

$$$$ Data

M. F.

C11H15N3O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7486

Database	Data ID
PubChem	17603209

M. W.

253.3207

CAS

Similarity

N/A

ID: 123545

5-amino-1-(3-methoxypropyl)-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-pyrrol-...

$$$$ Data

M. F.

C12H17N3O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7487

Database	Data ID
PubChem	45495435

M. W.

267.34728

CAS

Similarity

N/A

ID: 123546

5-amino-1-cyclohexyl-4-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-pyrrol-3-one

$$$$ Data

M. F.

C14H19N3OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-7488

Database	Data ID
PubChem	17600964

M. W.

277.38516

CAS

Similarity

N/A

ID: 123547

5-amino-4-(4-methyl-1,3-thiazol-2-yl)-1-(prop-2-en-1-yl)-2,3-dihydro-1H-pyrrol-3...

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-7489

Database	Data ID
PubChem	17597830

M. W.

235.30542

CAS

Similarity

N/A

ID: 123548

4-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
ChemBridge	4035766
InterBioScreen	BB_SC-7491

Database	Data ID
PubChem	4962747

M. W.

202.25566

CAS

852627-78-2

Similarity

N/A

ID: 123549

5-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C9H8N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7492

Database	Data ID
PubChem	45491388

M. W.

208.23702

CAS

Similarity

N/A

ID: 123550

2-{[(4-fluorophenyl)carbamoyl]methanesulfonyl}acetic acid

$$$$ Data

M. F.

C10H10FNO5S

Suppliers	Catalog Number
InterBioScreen	BB_SC-7497

Database	Data ID
PubChem	22693649

M. W.

275.2535032

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