Chembase list of 866358 unique molecular structures

2-(naphthalen-1-yl)quinoxaline-5-carboxylic acid

$$$$ Data

M. F.

C19H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR11701

Database	Data ID
PubChem	16740744

M. W.

300.31078

CAS

904818-39-9

Similarity

N/A

ID: 75702

3-(naphthalen-2-yl)quinoxaline-5-carboxylic acid

$$$$ Data

M. F.

C19H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR11702

Database	Data ID
PubChem	16740745

M. W.

300.31078

CAS

Similarity

N/A

ID: 75703

2-(naphthalen-2-yl)quinoxaline-5-carboxylic acid

$$$$ Data

M. F.

C19H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR11703

Database	Data ID
PubChem	16740746

M. W.

300.31078

CAS

Similarity

N/A

ID: 75704

3-(thiophen-2-yl)quinoxaline-5-carboxylic acid

$$$$ Data

M. F.

C13H8N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR11704

Database	Data ID
PubChem	16740747

M. W.

256.27982

CAS

904818-54-8

Similarity

N/A

ID: 75705

2-(thiophen-2-yl)quinoxaline-5-carboxylic acid

$$$$ Data

M. F.

C13H8N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR11705

Database	Data ID
PubChem	16740748

M. W.

256.27982

CAS

Similarity

N/A

ID: 75706

2-(furan-2-yl)pyrrolidine

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
ChemBridge	4004898
Apollo Scientific	OR11707
Enamine	EN300-74367

Database	Data ID
PubChem	3675988

M. W.

137.17904

CAS

90086-89-8

Similarity

N/A

ID: 75707

2-tert-butylimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Apollo Scientific	OR11708

Database	Data ID
PubChem	7141921

M. W.

174.24226

CAS

406207-65-6

Similarity

N/A

ID: 75708

2-tert-butylimidazo[1,2-a]pyrimidine

$$$$ Data

M. F.

C10H13N3

Suppliers	Catalog Number
Apollo Scientific	OR11709

Database	Data ID
PubChem	7141922

M. W.

175.23032

CAS

Similarity

N/A

ID: 75709

5-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazol...

$$$$ Data

M. F.

C9H14N4O5

Suppliers	Catalog Number
Apollo Scientific	OR1170T

Database	Data ID
PubChem	54285342

M. W.

258.23126

CAS

2627-69-2

Similarity

N/A

ID: 75710

3-bromo-2-tert-butylimidazo[1,2-a]pyrimidine

$$$$ Data

M. F.

C10H12BrN3

Suppliers	Catalog Number
ChemBridge	4031452
Apollo Scientific	OR11710

Database	Data ID
PubChem	16740752

M. W.

254.12638

CAS

904813-42-9

Similarity

N/A

ID: 75711

3-bromo-2-tert-butylimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C11H13BrN2

Suppliers	Catalog Number
ChemBridge	4030036
Apollo Scientific	OR11711

Database	Data ID
PubChem	16740753

M. W.

253.13832

CAS

904813-48-5

Similarity

N/A

ID: 75712

2-(2H-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR11712

Database	Data ID
PubChem	16740765

M. W.

238.2414

CAS

Similarity

N/A

ID: 75713

2-(2H-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine

$$$$ Data

M. F.

C13H9N3O2

Suppliers	Catalog Number
Apollo Scientific	OR11713

Database	Data ID
PubChem	3537784

M. W.

239.22946

CAS

Similarity

N/A

ID: 75714

2-(2H-1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H9ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR11714

Database	Data ID
PubChem	5190275

M. W.

272.68646

CAS

Similarity

N/A

ID: 75715

2-(2H-1,3-benzodioxol-5-yl)-6-nitroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H9N3O4

Suppliers	Catalog Number
Apollo Scientific	OR11715

Database	Data ID
PubChem	16740766

M. W.

283.23896

CAS

Similarity

N/A

ID: 75716

2-(2H-1,3-benzodioxol-5-yl)-3-bromoimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H9BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR11716

Database	Data ID
PubChem	16740767

M. W.

317.13746

CAS

Similarity

N/A

ID: 75717

2-(2H-1,3-benzodioxol-5-yl)-3-bromoimidazo[1,2-a]pyrimidine

$$$$ Data

M. F.

C13H8BrN3O2

Suppliers	Catalog Number
Apollo Scientific	OR11717

Database	Data ID
PubChem	5170670

M. W.

318.12552

CAS

Similarity

N/A

ID: 75718

2-(2H-1,3-benzodioxol-5-yl)-3-bromo-6-chloroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H8BrClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR11718

Database	Data ID
PubChem	16740768

M. W.

351.58252

CAS

Similarity

N/A

ID: 75719

2-(2H-1,3-benzodioxol-5-yl)-3-bromo-6-nitroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H8BrN3O4

Suppliers	Catalog Number
Apollo Scientific	OR11719

Database	Data ID
PubChem	16740769

M. W.

362.13502

CAS

Similarity

N/A

ID: 75720

(3-chloropropyl)diethylamine; but-2-enedioic acid

$$$$ Data

M. F.

C11H20ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR11722

Database	Data ID
PubChem	44118609

M. W.

265.7338

CAS

Similarity

N/A

ID: 75721

tert-butyl(3-chloropropyl)amine

$$$$ Data

M. F.

C7H16ClN

Suppliers	Catalog Number
Apollo Scientific	OR11723

Database	Data ID
PubChem	13052581

M. W.

149.66164

CAS

52560-90-4

Similarity

N/A

ID: 75722

tert-butyl N-tert-butyl-N-(3-chloropropyl)carbamate

$$$$ Data

M. F.

C12H24ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR11724

Database	Data ID
PubChem	26370071

M. W.

249.77746

CAS

133804-18-9

Similarity

N/A

ID: 75723

tert-butyl N-(3-chloropropyl)-N-cyclopropylcarbamate

$$$$ Data

M. F.

C11H20ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR11725

Database	Data ID
PubChem	26370076

M. W.

233.735

CAS

Similarity

N/A

ID: 75724

1-chloro-3-(dimethylamino)propan-2-ol hydrochloride

$$$$ Data

M. F.

C5H13Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR11726

Database	Data ID
PubChem	44118610

M. W.

174.06882

CAS

Similarity

N/A

ID: 75725

1-(3-chloropropyl)pyrrolidine; but-2-enedioic acid

$$$$ Data

M. F.

C11H18ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR11728

Database	Data ID
PubChem	44118611

M. W.

263.71792

CAS

Similarity

N/A

ID: 75726

4-(3-chloropropyl)morpholine hydrochloride

$$$$ Data

M. F.

C7H15Cl2NO

Suppliers	Catalog Number
Sigma Aldrich	728438
Apollo Scientific	OR11729
Enamine	EN300-62064

Database	Data ID
PubChem	12296283

M. W.

200.1061

CAS

57616-74-7

Similarity

N/A

ID: 75727

9H-xanthen-9-ol

$$$$ Data More

M. F.

C13H10O2

Suppliers	Catalog Number
Sigma Aldrich	252573 95582 95580
MP Biomedicals	02152268
Alfa Aesar	A13476

Database	Data ID
Wikipedia	Xanthydrol
PubChem	72861

M. W.

198.2173

CAS

90-46-0

Similarity

N/A

ID: 75728

tert-butyl 4-(2-chloroethyl)piperazine-1-carboxylate hydrochloride

$$$$ Data

M. F.

C11H22Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR11730

Database	Data ID
PubChem	44118612

M. W.

285.21058

CAS

Similarity

N/A

ID: 75729

1,3-dimethylpyrrolidin-2-one

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Apollo Scientific	OR11733

Database	Data ID
PubChem	209257

M. W.

113.15764

CAS

19597-07-0

Similarity

N/A

ID: 75730

1,4-dimethylpyrrolidin-2-one

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Apollo Scientific	OR11734

Database	Data ID
PubChem	14417041

M. W.

113.15764

CAS

2555-04-6

Similarity

N/A

ID: 75731

3-bromo-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C9H7BrO

Suppliers	Catalog Number
Apollo Scientific	OR11737
Bide Pharmatech	BD84871

Database	Data ID
PubChem	11745912

M. W.

211.05528

CAS

40774-41-2

Similarity

N/A

ID: 75732

6-amino-3-methyl-1-(2-methylpropyl)-5-nitroso-1,2,3,4-tetrahydropyrimidine-2,4-d...

$$$$ Data

M. F.

C9H14N4O3

Suppliers	Catalog Number
Apollo Scientific	OR1173T
TRC	A611730

Database	Data ID
PubChem	104678

M. W.

226.23246

CAS

54052-67-4

Similarity

N/A

ID: 75733

5-hydroxy-2-methyl-1,4-dihydronaphthalene-1,4-dione

$$$$ Data More

M. F.

C11H8O3

Suppliers	Catalog Number
Sigma Aldrich	P7262
MP Biomedicals	05217464 02156282
Apollo Scientific	OR1174

Database	Data ID
Wikipedia	Plumbagin
PubChem	10205

M. W.

188.17942

CAS

481-42-5

Similarity

N/A

ID: 75734

1H-imidazol-2-amine hydrochloride

$$$$ Data

M. F.

C3H6ClN3

Suppliers	Catalog Number
Apollo Scientific	OR11741
A&J Pharmtech	AJA-O28561

Database	Data ID
PubChem	12211238

M. W.

119.55284

CAS

57575-96-9

Similarity

N/A

ID: 75735

6-chloro-2-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine

$$$$ Data

M. F.

C6H10ClN5

Suppliers	Catalog Number
Sigma Aldrich	31210 36629 MET380B
Apollo Scientific	OR1175T
TRC	A611750

Database	Data ID
PubChem	22563

M. W.

187.6301

CAS

6190-65-4

Similarity

N/A

ID: 75736

(1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trio...

$$$$ Data

M. F.

C30H34O13

Suppliers	Catalog Number
Apollo Scientific	OR1176

Database	Data ID
PubChem	6473767

M. W.

602.58316

CAS

124-87-8

Similarity

N/A

ID: 75737

4-hydroxy-3,5-dimethoxybenzaldehyde

$$$$ Data More

M. F.

C9H10O4

Suppliers	Catalog Number
Sigma Aldrich	S7602 W404926 86220
BioBioPha	BBP01240
MP Biomedicals	05207043

Database	Data ID
Wikipedia	Syringaldehyde
PubChem	8655

M. W.

182.1733

CAS

134-96-3

Similarity

N/A

ID: 75738

4-(hydroxymethyl)-2-methoxyphenol

$$$$ Data More

M. F.

C8H10O3

Suppliers	Catalog Number
Sigma Aldrich	175536 W373702 55570
MP Biomedicals	05206613
Alfa Aesar	A15160

Database	Data ID
PubChem	62348

M. W.

154.1632

CAS

498-00-0

Similarity

N/A

ID: 75739

3-bromo-4-hydroxybenzaldehyde

$$$$ Data More

M. F.

C7H5BrO2

Suppliers	Catalog Number
Sigma Aldrich	516775
Alfa Aesar	B24729
Apollo Scientific	OR1184

Database	Data ID
PubChem	76308

M. W.

201.0174

CAS

2973-78-6

Similarity

N/A

ID: 75740

5-chloro-2-hydroxy-4-methylbenzaldehyde

$$$$ Data

M. F.

C8H7ClO2

Suppliers	Catalog Number
Apollo Scientific	OR1185
Bide Pharmatech	BD33250
A&J Pharmtech	AJA-O7143

Database	Data ID
PubChem	2735740

M. W.

170.59298

CAS

3328-68-5

Similarity

N/A

ID: 75741

2-[1-(4-chlorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data More

M. F.

C14H18BClO2

Suppliers	Catalog Number
Alfa Aesar	H52617
Apollo Scientific	OR1187
Bide Pharmatech	BD51053

Database	Data ID
PubChem	44118526

M. W.

264.55552

CAS

850567-54-3

Similarity

N/A

ID: 75742

(2-bromo-5-methoxyphenyl)boronic acid

$$$$ Data

M. F.

C7H8BBrO3

Suppliers	Catalog Number
Apollo Scientific	OR1188
A&J Pharmtech	AJA-O29601

Database	Data ID
PubChem	25266062

M. W.

230.85162

CAS

89694-44-0

Similarity

N/A

ID: 75743

1-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole

$$$$ Data More

M. F.

C11H18BNO2

Suppliers	Catalog Number
Sigma Aldrich	707864
Alfa Aesar	H53305
Apollo Scientific	OR1189

Database	Data ID
PubChem	44118773

M. W.

207.07712

CAS

850567-47-4

Similarity

N/A

ID: 75744

2-(3-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H16BNO3

Suppliers	Catalog Number
Alfa Aesar	H53044
Apollo Scientific	OR1190
A&J Pharmtech	AJA-O29576

Database	Data ID
PubChem	44118747

M. W.

245.08204

CAS

787591-43-9

Similarity

N/A

ID: 75745

[4-(ethoxymethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C9H13BO4

Suppliers	Catalog Number
Apollo Scientific	OR11902
Bide Pharmatech	BD230835

Database	Data ID
PubChem	44118618

M. W.

196.00812

CAS

957062-54-3

Similarity

N/A

ID: 75746

5-bromo-N-cyclohexylpyridine-2-carboxamide

$$$$ Data

M. F.

C12H15BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR11903

Database	Data ID
PubChem	26370081

M. W.

283.1643

CAS

Similarity

N/A

ID: 75747

[4-(propanesulfonyl)phenyl]boronic acid

$$$$ Data

M. F.

C9H12BNO5S

Suppliers	Catalog Number
Apollo Scientific	OR11904
Bide Pharmatech	BD230560

Database	Data ID
PubChem	44118619

M. W.

257.07128

CAS

957121-17-4

Similarity

N/A

ID: 75748

methyl 5-bromo-4-chloro-2-methoxybenzoate

$$$$ Data

M. F.

C9H8BrClO3

Suppliers	Catalog Number
Apollo Scientific	OR11905

Database	Data ID
PubChem	26370082

M. W.

279.51502

CAS

951885-11-3

Similarity

N/A

ID: 75749

3-bromo-N-(furan-2-ylmethyl)benzamide

$$$$ Data

M. F.

C12H10BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR11906

Database	Data ID
PubChem	809128

M. W.

280.1173

CAS

346663-79-4

Similarity

N/A

ID: 75750

5-bromo-N-propylpyridine-2-carboxamide

$$$$ Data

M. F.

C9H11BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR11907
Bide Pharmatech	BD230141

Database	Data ID
PubChem	26370083

M. W.

243.10044

CAS

845305-89-7

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