Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C16H15NO

Suppliers	Catalog Number
Matrix Scientific	057434
Apollo Scientific	OR9090
TRC	B194860

Database	Data ID
PubChem	3735558

M. W.

237.2964

CAS

40320-60-3

Similarity

N/A

ID: 52752

2-[1-(hydroxymethyl)cyclopropyl]acetic acid

$$$$ Data

M. F.

C6H10O3

Suppliers	Catalog Number
Matrix Scientific	057435
Enamine	EN300-107048

Database	Data ID
PubChem	22404474

M. W.

130.1418

CAS

869066-83-1

Similarity

N/A

ID: 52753

3-chloro-1$l^{6}-thietane-1,1-dione

$$$$ Data

M. F.

C3H5ClO2S

Suppliers	Catalog Number
Matrix Scientific	057437

Database	Data ID
PubChem	265636

M. W.

140.5886

CAS

15953-83-0

Similarity

N/A

ID: 52754

4-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-amine

$$$$ Data

M. F.

C12H9ClN4

Suppliers	Catalog Number
Matrix Scientific	057438

Database	Data ID
PubChem	10681774

M. W.

244.67966

CAS

Similarity

N/A

ID: 52755

7-chloro-5-methyl-2-phenyl-1H-pyrrolo[3,2-b]pyridine

$$$$ Data

M. F.

C14H11ClN2

Suppliers	Catalog Number
Matrix Scientific	057439

Database	Data ID
PubChem	10847776

M. W.

242.70354

CAS

1026076-88-9

Similarity

N/A

ID: 52756

4-chloro-2-methyl-6-phenylfuro[3,2-d]pyrimidine

$$$$ Data

M. F.

C13H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	057440

Database	Data ID
PubChem	10705496

M. W.

244.67636

CAS

Similarity

N/A

ID: 52757

ethyl 3-amino-5-phenylthiophene-2-carboxylate

$$$$ Data

M. F.

C13H13NO2S

Suppliers	Catalog Number
Matrix Scientific	057441
Life Chemicals	F0412-0168
Enamine	EN300-05019

Database	Data ID
PubChem	838333

M. W.

247.31282

CAS

88534-50-3

Similarity

N/A

ID: 52758

2-methyl-6-phenylthieno[3,2-d]pyrimidin-4-ol

$$$$ Data

M. F.

C13H10N2OS

Suppliers	Catalog Number
Matrix Scientific	057442

Database	Data ID
PubChem	9991970

M. W.

242.2963

CAS

156424-47-4

Similarity

N/A

ID: 52759

4-chloro-2-methyl-6-phenylthieno[3,2-d]pyrimidine

$$$$ Data

M. F.

C13H9ClN2S

Suppliers	Catalog Number
Matrix Scientific	057443

Database	Data ID
PubChem	10801351

M. W.

260.74196

CAS

225385-07-9

Similarity

N/A

ID: 52760

5-[(4-chlorophenyl)methanesulfonyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C9H8ClN3O2S2

Suppliers	Catalog Number
Matrix Scientific	057444

Database	Data ID
PubChem	16438396

M. W.

289.76172

CAS

880791-53-7

Similarity

N/A

ID: 52761

5-(butane-1-sulfonyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C6H11N3O2S2

Suppliers	Catalog Number
Matrix Scientific	057445

Database	Data ID
PubChem	20392743

M. W.

221.30044

CAS

72836-17-0

Similarity

N/A

ID: 52762

2-bromo-5-(cyclopentanesulfonyl)thiophene

$$$$ Data

M. F.

C9H11BrO2S2

Suppliers	Catalog Number
Matrix Scientific	057446

Database	Data ID
PubChem	4646916

M. W.

295.21644

CAS

438234-34-5

Similarity

N/A

ID: 52763

2-bromo-5-cyclopropylmethanesulfonylthiophene

$$$$ Data

M. F.

C8H9BrO2S2

Suppliers	Catalog Number
Matrix Scientific	057447

Database	Data ID
PubChem	49758026

M. W.

281.18986

CAS

Similarity

N/A

ID: 52764

4-[(5-bromothiophen-2-yl)sulfonyl]oxane

$$$$ Data

M. F.

C9H11BrO3S2

Suppliers	Catalog Number
Matrix Scientific	057448

Database	Data ID
PubChem	49758027

M. W.

311.21584

CAS

Similarity

N/A

ID: 52765

1-(5-bromothiophen-2-yl)-2,2,2-trifluoroethan-1-one

$$$$ Data

M. F.

C6H2BrF3OS

Suppliers	Catalog Number
Matrix Scientific	057449
Enamine	EN300-51010

Database	Data ID
PubChem	19971587

M. W.

259.0436896

CAS

34773-51-8

Similarity

N/A

ID: 52766

2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Matrix Scientific	057450

Database	Data ID
PubChem	49758028

M. W.

165.19244

CAS

880361-83-1

Similarity

N/A

ID: 52767

tert-butyl 2-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

$$$$ Data

M. F.

C13H19N3O3

Suppliers	Catalog Number
Matrix Scientific	057451
Key Organics	LF-0702

Database	Data ID
PubChem	49758029

M. W.

265.30826

CAS

900156-22-1

Similarity

N/A

ID: 52768

tert-butyl 2-(propan-2-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C12H24N2O2

Suppliers	Catalog Number
Matrix Scientific	057452
Bide Pharmatech	BD35327
A&J Pharmtech	AJA-O24218

Database	Data ID
PubChem	44118797

M. W.

228.33116

CAS

886766-25-2

Similarity

N/A

ID: 52769

ethyl 2-chloro-1,3-oxazole-4-carboxylate

$$$$ Data More

M. F.

C6H6ClNO3

Suppliers	Catalog Number
Matrix Scientific	057453
Apollo Scientific	OR2874
Bide Pharmatech	BD28780

Database	Data ID
PubChem	2763184

M. W.

175.56974

CAS

460081-18-9

Similarity

N/A

ID: 52770

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

$$$$ Data More

M. F.

C6H8N2O3

Suppliers	Catalog Number
Matrix Scientific	057454
Apollo Scientific	OR1342
Life Chemicals	F2145-0713

Database	Data ID
PubChem	319549

M. W.

156.13932

CAS

177760-52-0

Similarity

N/A

ID: 52771

ethyl 2-bromo-1,3-oxazole-4-carboxylate

$$$$ Data More

M. F.

C6H6BrNO3

Suppliers	Catalog Number
Matrix Scientific	057455
Apollo Scientific	OR11662
Bide Pharmatech	BD158093

Database	Data ID
PubChem	26370035

M. W.

220.02074

CAS

460081-20-3

Similarity

N/A

ID: 52772

2-hydroxy-5-methylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H7NO3

Suppliers	Catalog Number
Matrix Scientific	057456

Database	Data ID
PubChem	12387728

M. W.

153.13538

CAS

38076-77-6

Similarity

N/A

ID: 52773

methyl[1-(pyridin-3-yl)ethyl]amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
ChemBridge	4102793
Matrix Scientific	057457
Enamine	EN300-58255

Database	Data ID
PubChem	16778481

M. W.

136.19428

CAS

120741-33-5

Similarity

N/A

ID: 52774

6-chloro-2-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5ClN2

Suppliers	Catalog Number
Matrix Scientific	057458
A&J Pharmtech	AJA-O28962

Database	Data ID
PubChem	12387737

M. W.

152.581

CAS

66909-36-2

Similarity

N/A

ID: 52775

6-hydroxy-2-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Matrix Scientific	057459
A&J Pharmtech	AJA-O21271

Database	Data ID
PubChem	11378516

M. W.

134.13534

CAS

41877-40-1

Similarity

N/A

ID: 52776

tert-butyl N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamate

$$$$ Data

M. F.

C9H14N2O3S

Suppliers	Catalog Number
Matrix Scientific	057460
Bide Pharmatech	BD45757

Database	Data ID
PubChem	22280475

M. W.

230.28406

CAS

494769-44-7

Similarity

N/A

ID: 52777

2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazole-4-carboxylic acid

$$$$ Data More

M. F.

C9H12N2O4S

Suppliers	Catalog Number
Matrix Scientific	057461
Apollo Scientific	OR5596
Bide Pharmatech	BD29695

Database	Data ID
PubChem	1502051

M. W.

244.26758

CAS

83673-98-7

Similarity

N/A

ID: 52778

5-ethenyl-4-methyl-1,3-thiazole

$$$$ Data

M. F.

C6H7NS

Suppliers	Catalog Number
Sigma Aldrich	242004 W331309
Alfa Aesar	B21719
Matrix Scientific	057462

Database	Data ID
PubChem	15654

M. W.

125.19148

CAS

1759-28-0

Similarity

N/A

ID: 52779

4-methyl-1,3-thiazol-2-amine

$$$$ Data More

M. F.

C4H6N2S

Suppliers	Catalog Number
Sigma Aldrich	A66006
MP Biomedicals	05208068
Alfa Aesar	A14847

Database	Data ID
PubChem	74143

M. W.

114.16884

CAS

6142-15-0

Similarity

N/A

ID: 52780

ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

$$$$ Data More

M. F.

C6H7BrN2O2S

Suppliers	Catalog Number
Matrix Scientific	057464
Apollo Scientific	OR2808
Bide Pharmatech	BD34325

Database	Data ID
PubChem	1284665

M. W.

251.10098

CAS

61830-21-5

Similarity

N/A

ID: 52781

ethyl 2-chloro-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C6H6ClNO2S

Suppliers	Catalog Number
Matrix Scientific	057465
Apollo Scientific	OR41053

Database	Data ID
PubChem	13106141

M. W.

191.63534

CAS

5198-87-8

Similarity

N/A

ID: 52782

ethyl 2-bromo-1,3-thiazole-4-carboxylate

$$$$ Data More

M. F.

C6H6BrNO2S

Suppliers	Catalog Number
Sigma Aldrich	708429
Alfa Aesar	H31507
Matrix Scientific	057466

Database	Data ID
PubChem	353965

M. W.

236.08634

CAS

100367-77-9

Similarity

N/A

ID: 52783

tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate

$$$$ Data

M. F.

C13H14N2O3S

Suppliers	Catalog Number
Matrix Scientific	057467

Database	Data ID
PubChem	49757953

M. W.

278.32686

CAS

Similarity

N/A

ID: 52784

ethyl 2,5-dibromo-1,3-thiazole-4-carboxylate

$$$$ Data More

M. F.

C6H5Br2NO2S

Suppliers	Catalog Number
Matrix Scientific	057468
Apollo Scientific	OR15536
Life Chemicals	F2158-0658

Database	Data ID
PubChem	16427146

M. W.

314.9824

CAS

208264-60-2

Similarity

N/A

ID: 52785

2-chloro-1,3-thiazole-4-carboxylic acid

$$$$ Data More

M. F.

C4H2ClNO2S

Suppliers	Catalog Number
Matrix Scientific	057470
Apollo Scientific	OR15915
Bide Pharmatech	BD72559

Database	Data ID
PubChem	21803026

M. W.

163.58218

CAS

5198-87-8

Similarity

N/A

ID: 52786

2-amino-1,3-thiazole-4-carboxylic acid hydrobromide

$$$$ Data

M. F.

C4H5BrN2O2S

Suppliers	Catalog Number
Sigma Aldrich	636282
Matrix Scientific	057471

Database	Data ID
PubChem	16217717

M. W.

225.0637

CAS

112539-08-9

Similarity

N/A

ID: 52787

4-methyl-1,3-thiazole-5-carbonyl chloride

$$$$ Data

M. F.

C5H4ClNOS

Suppliers	Catalog Number
Matrix Scientific	057472
Enamine	EN300-45221

Database	Data ID
PubChem	12470210

M. W.

161.60936

CAS

54237-09-1

Similarity

N/A

ID: 52788

ethyl 4-bromo-1,3-thiazole-2-carboxylate

$$$$ Data

M. F.

C6H6BrNO2S

Suppliers	Catalog Number
Matrix Scientific	057476
A&J Pharmtech	AJA-O37771

Database	Data ID
PubChem	49757955

M. W.

236.08634

CAS

959755-96-6

Similarity

N/A

ID: 52789

4-bromo-1,3-thiazole-2-carboxylic acid

$$$$ Data

M. F.

C4H2BrNO2S

Suppliers	Catalog Number
Matrix Scientific	057477
Bide Pharmatech	BD165609
A&J Pharmtech	AJA-O22132

Database	Data ID
PubChem	15122065

M. W.

208.03318

CAS

88982-82-5

Similarity

N/A

ID: 52790

8-bromoquinoline-4-carboxylic acid

$$$$ Data

M. F.

C10H6BrNO2

Suppliers	Catalog Number
Matrix Scientific	057479

Database	Data ID
PubChem	18414308

M. W.

252.06414

CAS

121490-67-3

Similarity

N/A

ID: 52791

[(8-bromoquinolin-4-yl)methyl](methyl)amine

$$$$ Data

M. F.

C11H11BrN2

Suppliers	Catalog Number
Matrix Scientific	057480

Database	Data ID
PubChem	46835715

M. W.

251.12244

CAS

Similarity

N/A

ID: 52792

(8-bromoquinolin-4-yl)methanamine; trifluoroacetic acid

$$$$ Data

M. F.

C12H10BrF3N2O2

Suppliers	Catalog Number
Matrix Scientific	057481

Database	Data ID
PubChem	46863915

M. W.

351.1192096

CAS

Similarity

N/A

ID: 52793

8-bromoquinoline-4-carbonitrile

$$$$ Data

M. F.

C10H5BrN2

Suppliers	Catalog Number
Matrix Scientific	057482

Database	Data ID
PubChem	46835718

M. W.

233.0641

CAS

Similarity

N/A

ID: 52794

8-bromoquinoline-4-carbaldehyde

$$$$ Data

M. F.

C10H6BrNO

Suppliers	Catalog Number
Matrix Scientific	057483

Database	Data ID
PubChem	46835719

M. W.

236.06474

CAS

898391-87-2

Similarity

N/A

ID: 52795

(8-bromoquinolin-4-yl)methanol

$$$$ Data

M. F.

C10H8BrNO

Suppliers	Catalog Number
Matrix Scientific	057484

Database	Data ID
PubChem	46835720

M. W.

238.08062

CAS

1190315-99-1

Similarity

N/A

ID: 52796

8-bromoquinoline-5-carboxylic acid

$$$$ Data

M. F.

C10H6BrNO2

Suppliers	Catalog Number
Matrix Scientific	057485
Bide Pharmatech	BD210412
A&J Pharmtech	AJA-O2550

Database	Data ID
PubChem	11021363

M. W.

252.06414

CAS

204782-96-7

Similarity

N/A

ID: 52797

methyl 8-bromoquinoline-5-carboxylate

$$$$ Data

M. F.

C11H8BrNO2

Suppliers	Catalog Number
Matrix Scientific	057486
Bide Pharmatech	BD216933

Database	Data ID
PubChem	46835721

M. W.

266.09072

CAS

253787-45-0

Similarity

N/A

ID: 52798

3-(chloromethyl)-1-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C11H10ClNO

Suppliers	Catalog Number
ChemBridge	4036351
Matrix Scientific	057487
InterBioScreen	BB_SC-2435

Database	Data ID
PubChem	4914634

M. W.

207.6562

CAS

879566-77-5

Similarity

N/A

ID: 52799

2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Matrix Scientific	057488

Database	Data ID
PubChem	13320461

M. W.

191.18336

CAS

246867-17-4

Similarity

N/A

ID: 52800

3-(hydroxymethyl)-1-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
ChemBridge	4042749
Matrix Scientific	057489
InterBioScreen	BB_SC-2443 STOCK1N-66678

Database	Data ID
PubChem	4914642

M. W.

189.21054

CAS

114561-15-8

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