Chembase list of 866358 unique molecular structures

2-[3-(2-chlorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetic acid

$$$$ Data

M. F.

C12H9ClN2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9225

Database	Data ID
PubChem	51052025

M. W.

264.66446

CAS

Similarity

N/A

ID: 124602

2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridazin-1-yl}acetic acid

$$$$ Data

M. F.

C13H12N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9226

Database	Data ID
PubChem	51052026

M. W.

276.31098

CAS

Similarity

N/A

ID: 124603

2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C11H8FNO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9230

Database	Data ID
PubChem	39058276

M. W.

237.2501232

CAS

Similarity

N/A

ID: 124604

1-[4-(2-chloropyrimidin-4-yl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C10H13ClN4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9231

Database	Data ID
PubChem	22308324

M. W.

240.68942

CAS

Similarity

N/A

ID: 124605

4-(2-chloropyrimidin-4-yl)thiomorpholine

$$$$ Data

M. F.

C8H10ClN3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9232

Database	Data ID
PubChem	13340660

M. W.

215.7031

CAS

Similarity

N/A

ID: 124606

1-(2-chloropyrimidin-4-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C10H12ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9235
Bide Pharmatech	BD36348
A&J Pharmtech	AJA-O6485

Database	Data ID
PubChem	45789847

M. W.

241.67418

CAS

1208087-83-5

Similarity

N/A

ID: 124607

6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ol

$$$$ Data

M. F.

C12H12ClNO

Suppliers	Catalog Number
InterBioScreen	BB_SC-9236

Database	Data ID
PubChem	3725226

M. W.

221.68278

CAS

Similarity

N/A

ID: 124608

2-(1H-pyrrol-1-yl)aniline

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Sigma Aldrich	196940
Alfa Aesar	L06887
InterBioScreen	BB_SC-9237

Database	Data ID
PubChem	80123

M. W.

158.1998

CAS

6025-60-1

Similarity

N/A

ID: 124609

3-chloro-4-(1H-pyrrol-1-yl)aniline

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9238

Database	Data ID
PubChem	13768626

M. W.

192.64486

CAS

Similarity

N/A

ID: 124610

N-(4-chlorophenyl)piperazine-1-carboxamide

$$$$ Data

M. F.

C11H14ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9239
Enamine	EN300-57854

Database	Data ID
PubChem	16228142

M. W.

239.70136

CAS

Similarity

N/A

ID: 124611

3-(2-aminoethyl)-1-phenylurea

$$$$ Data

M. F.

C9H13N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9240

Database	Data ID
PubChem	12681829

M. W.

179.21902

CAS

Similarity

N/A

ID: 124612

3-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9241 STOCK1N-75961

Database	Data ID
PubChem	51052027

M. W.

218.29482

CAS

Similarity

N/A

ID: 124613

3-cyclopropyl-2-(2-methylpropyl)-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C15H20N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9242

Database	Data ID
PubChem	51052028

M. W.

244.3321

CAS

Similarity

N/A

ID: 124614

3-methyl-2-phenyl-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9243

Database	Data ID
PubChem	595284

M. W.

238.28446

CAS

Similarity

N/A

ID: 124615

3-methyl-2-(pyridin-2-yl)-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C14H13N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9244

Database	Data ID
PubChem	51052029

M. W.

239.27252

CAS

Similarity

N/A

ID: 124616

3-methyl-2-(pyridin-3-yl)-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C14H13N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9245 STOCK1N-75887

Database	Data ID
PubChem	47117576

M. W.

239.27252

CAS

Similarity

N/A

ID: 124617

3-methyl-2-(pyridin-4-yl)-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C14H13N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9246

Database	Data ID
PubChem	47117584

M. W.

239.27252

CAS

Similarity

N/A

ID: 124618

3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinazoline]-4'-one

$$$$ Data

M. F.

C13H16N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9248

Database	Data ID
PubChem	686408

M. W.

216.27894

CAS

Similarity

N/A

ID: 124619

6,6-dimethyl-3',4'-dihydro-1'H-spiro[oxane-4,2'-quinazoline]-4'-one

$$$$ Data

M. F.

C14H18N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9249 STOCK1N-75883

Database	Data ID
PubChem	51052030

M. W.

246.30492

CAS

Similarity

N/A

ID: 124620

2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C10H15ClN4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9250

Database	Data ID
PubChem	12237603

M. W.

242.7053

CAS

Similarity

N/A

ID: 124621

6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-9252

Database	Data ID
PubChem	14914523

M. W.

213.275

CAS

Similarity

N/A

ID: 124622

6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-ol

$$$$ Data

M. F.

C14H17NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-9253

Database	Data ID
PubChem	51052031

M. W.

215.29088

CAS

Similarity

N/A

ID: 124623

N-[(1E)-6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine

$$$$ Data

M. F.

C14H16N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9254

Database	Data ID
PubChem	51052032

M. W.

228.28964

CAS

Similarity

N/A

ID: 124624

6-(2,4-dichlorophenyl)-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C10H6Cl2N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9255

Database	Data ID
PubChem	43583824

M. W.

241.07344

CAS

Similarity

N/A

ID: 124625

2-[3-(4-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetic acid

$$$$ Data

M. F.

C12H9FN2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9256

Database	Data ID
PubChem	24252572

M. W.

248.2098632

CAS

Similarity

N/A

ID: 124626

2-[3-(4-fluoro-2-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetic acid

$$$$ Data

M. F.

C13H11FN2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9257

Database	Data ID
PubChem	51052033

M. W.

278.2358432

CAS

Similarity

N/A

ID: 124627

2-[3-(2-fluoro-4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetic acid

$$$$ Data

M. F.

C13H11FN2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9258

Database	Data ID
PubChem	51052034

M. W.

278.2358432

CAS

Similarity

N/A

ID: 124628

2-({[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}s...

$$$$ Data

M. F.

C10H11N3O4S2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9259

Database	Data ID
PubChem	51052035

M. W.

301.34204

CAS

Similarity

N/A

ID: 124629

(E)-2-(benzenesulfonyl)-N'-hydroxyethenimidamide

$$$$ Data

M. F.

C8H10N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9262

Database	Data ID
PubChem	5702783

M. W.

214.2416

CAS

Similarity

N/A

ID: 124630

(E)-2-(4-chlorobenzenesulfonyl)-N'-hydroxyethenimidamide

$$$$ Data

M. F.

C8H9ClN2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9263

Database	Data ID
PubChem	5712806

M. W.

248.68666

CAS

Similarity

N/A

ID: 124631

(Z)-N'-hydroxy-2-phenylmethanesulfonylethenimidamide

$$$$ Data

M. F.

C9H12N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9264

Database	Data ID
PubChem	51052036

M. W.

228.26818

CAS

Similarity

N/A

ID: 124632

(Z)-2-(3-chlorophenoxy)-N'-hydroxyethenimidamide hydrochloride

$$$$ Data

M. F.

C8H10Cl2N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9265

Database	Data ID
PubChem	51052037

M. W.

237.0832

CAS

Similarity

N/A

ID: 124633

(Z)-N'-hydroxy-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboximidamide

$$$$ Data

M. F.

C8H11N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9266

Database	Data ID
PubChem	6285333

M. W.

181.19184

CAS

Similarity

N/A

ID: 124634

(Z)-N'-hydroxy-2-(1-methyl-1H-1,3-benzodiazol-2-yl)ethenimidamide

$$$$ Data

M. F.

C10H12N4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-9268
Enamine	EN300-12601

Database	Data ID
PubChem	9687045

M. W.

204.22848

CAS

Similarity

N/A

ID: 124635

4-amino-6-nitroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H7N3O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9270

Database	Data ID
PubChem	33730730

M. W.

233.18028

CAS

Similarity

N/A

ID: 124636

2-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9271
Enamine	EN300-43903

Database	Data ID
PubChem	40176631

M. W.

202.25566

CAS

Similarity

N/A

ID: 124637

3-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9272

Database	Data ID
PubChem	46397986

M. W.

202.25566

CAS

Similarity

N/A

ID: 124638

4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]aniline

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9273

Database	Data ID
PubChem	46397987

M. W.

202.25566

CAS

Similarity

N/A

ID: 124639

methyl 2-(7-chloro-4-oxo-1,4-dihydroquinolin-1-yl)acetate

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9274

Database	Data ID
PubChem	50877156

M. W.

251.6657

CAS

Similarity

N/A

ID: 124640

3-(thiophene-2-carbonyl)aniline

$$$$ Data

M. F.

C11H9NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-9281

Database	Data ID
PubChem	23009095

M. W.

203.26026

CAS

Similarity

N/A

ID: 124641

3-(phenylamino)-2,3-dihydro-1λ⁶-thiophene-1,1-dione

$$$$ Data

M. F.

C10H11NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-9286
Enamine	EN300-07922

Database	Data ID
PubChem	589052

M. W.

209.26484

CAS

39565-69-0

Similarity

N/A

ID: 124642

5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9287

Database	Data ID
PubChem	51052039

M. W.

204.18212

CAS

Similarity

N/A

ID: 124643

5-tert-butyl-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C14H15ClN2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-9295

Database	Data ID
PubChem	24271303

M. W.

278.7341

CAS

Similarity

N/A

ID: 124644

1-benzyl-4-(2-hydroxyethyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C13H14N2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9298

Database	Data ID
PubChem	51052040

M. W.

262.26126

CAS

Similarity

N/A

ID: 124645

(1H-1,3-benzodiazol-2-ylmethyl)(methyl)amine dihydrochloride

$$$$ Data

M. F.

C9H13Cl2N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9302
Enamine	EN300-29678

Database	Data ID
PubChem	13169407

M. W.

234.12562

CAS

Similarity

N/A

ID: 124646

5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C6H7BrN6

Suppliers	Catalog Number
ChemBridge	4027883
InterBioScreen	BB_SC-9303

Database	Data ID
PubChem	41455251

M. W.

243.06398

CAS

1020248-97-8

Similarity

N/A

ID: 124647

3-[4-(propan-2-yl)phenyl]-1H-pyrazol-5-amine

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9305

Database	Data ID
PubChem	7141573

M. W.

201.2676

CAS

Similarity

N/A

ID: 124648

5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C10H6ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9307
Enamine	EN300-113216

Database	Data ID
PubChem	22831696

M. W.

223.61254

CAS

Similarity

N/A

ID: 124649

5-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C10H6FNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-9308

Database	Data ID
PubChem	3723375

M. W.

207.1579432

CAS

Similarity

N/A

ID: 124650

5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C11H9NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-9309

Database	Data ID
PubChem	4997962

M. W.

219.19346

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