Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C9H9NO

Suppliers	Catalog Number
Sigma Aldrich	415936
Matrix Scientific	066666
Apollo Scientific	OR4829

Database	Data ID
PubChem	64796

M. W.

147.17386

CAS

553-03-7

Similarity

N/A

ID: 61452

6-nitro-1,2,3,4-tetrahydroquinolin-2-one

$$$$ Data More

M. F.

C9H8N2O3

Suppliers	Catalog Number
Matrix Scientific	066667
Apollo Scientific	OR59827
TRC	D449190

Database	Data ID
PubChem	5111749

M. W.

192.17142

CAS

22246-16-8

Similarity

N/A

ID: 61453

tert-butyl N-ethyl-N-(piperidin-4-yl)carbamate

$$$$ Data

M. F.

C12H24N2O2

Suppliers	Catalog Number
Matrix Scientific	066668
Enamine	EN300-89938

Database	Data ID
PubChem	18677728

M. W.

228.33116

CAS

313977-45-6

Similarity

N/A

ID: 61454

2H-naphtho[2,3-d][1,3]dioxole-6-carbonitrile

$$$$ Data

M. F.

C12H7NO2

Suppliers	Catalog Number
Matrix Scientific	066669

Database	Data ID
PubChem	359184

M. W.

197.18948

CAS

4943-58-2

Similarity

N/A

ID: 61455

4-fluoronaphthalene-1-carbaldehyde

$$$$ Data

M. F.

C11H7FO

Suppliers	Catalog Number
Sigma Aldrich	694886
Matrix Scientific	066670
TRC	F595275

Database	Data ID
PubChem	7022524

M. W.

174.1710832

CAS

172033-73-7

Similarity

N/A

ID: 61456

4-fluoronaphthalen-1-ol

$$$$ Data

M. F.

C10H7FO

Suppliers	Catalog Number
Matrix Scientific	066671
TRC	F595270

Database	Data ID
PubChem	10920830

M. W.

162.1603832

CAS

315-53-7

Similarity

N/A

ID: 61457

3-iodoimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C7H5IN2

Suppliers	Catalog Number
Matrix Scientific	066672
Enamine	EN300-91313

Database	Data ID
PubChem	10752774

M. W.

244.03247

CAS

307503-19-1

Similarity

N/A

ID: 61458

8-benzyl-2,8-diazaspiro[4.5]decan-1-one

$$$$ Data

M. F.

C15H20N2O

Suppliers	Catalog Number
Matrix Scientific	066673
Bide Pharmatech	BD162475
A&J Pharmtech	AJA-O14722

Database	Data ID
PubChem	46835436

M. W.

244.3321

CAS

1123242-53-4

Similarity

N/A

ID: 61459

tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

$$$$ Data

M. F.

C13H22N2O3

Suppliers	Catalog Number
Matrix Scientific	066674
Bide Pharmatech	BD218931
A&J Pharmtech	AJA-O14723

Database	Data ID
PubChem	45073946

M. W.

254.32538

CAS

268550-48-7

Similarity

N/A

ID: 61460

1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

$$$$ Data More

M. F.

C13H17N3O

Suppliers	Catalog Number
Sigma Aldrich	P4775 79224
Matrix Scientific	066675
Apollo Scientific	OR13975

Database	Data ID
PubChem	70556

M. W.

231.29358

CAS

1021-25-6

Similarity

N/A

ID: 61461

tert-butyl 5-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$ Data

M. F.

C14H19NO3

Suppliers	Catalog Number
Matrix Scientific	066676

Database	Data ID
PubChem	10538586

M. W.

249.30556

CAS

216064-48-1

Similarity

N/A

ID: 61462

1H,4H,5H,6H,7H,8H-imidazo[4,5-e][1,4]diazepine-5,8-dione

$$$$ Data

M. F.

C6H6N4O2

Suppliers	Catalog Number
Matrix Scientific	066677
Apollo Scientific	OR1037

Database	Data ID
PubChem	362126

M. W.

166.13744

CAS

119584-65-5

Similarity

N/A

ID: 61463

ethyl 2-(3-methylphenyl)pyrimidine-5-carboxylate

$$$$ Data

M. F.

C14H14N2O2

Suppliers	Catalog Number
Matrix Scientific	066678

Database	Data ID
PubChem	24903641

M. W.

242.27316

CAS

Similarity

N/A

ID: 61464

2-cyclopropylbenzonitrile

$$$$ Data

M. F.

C10H9N

Suppliers	Catalog Number
Matrix Scientific	066679
A&J Pharmtech	AJA-O12302

Database	Data ID
PubChem	13953870

M. W.

143.18516

CAS

3154-99-2

Similarity

N/A

ID: 61465

ethyl 2-(3-iodophenoxy)acetate

$$$$ Data

M. F.

C10H11IO3

Suppliers	Catalog Number
Matrix Scientific	066680
A&J Pharmtech	AJA-O29499

Database	Data ID
PubChem	43087163

M. W.

306.09701

CAS

90888-04-3

Similarity

N/A

ID: 61466

4-benzyl-1-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid

$$$$ Data

M. F.

C17H24N2O4

Suppliers	Catalog Number
Matrix Scientific	066681
A&J Pharmtech	AJA-O23716

Database	Data ID
PubChem	16243838

M. W.

320.38346

CAS

1214057-04-1

Similarity

N/A

ID: 61467

5-chloro-2-(trifluoromethyl)-1,6-naphthyridine

$$$$ Data

M. F.

C9H4ClF3N2

Suppliers	Catalog Number
Matrix Scientific	066682

Database	Data ID
PubChem	11687290

M. W.

232.5896696

CAS

890301-88-9

Similarity

N/A

ID: 61468

8-bromo-5-chloro-2-(trifluoromethyl)-1,6-naphthyridine

$$$$ Data

M. F.

C9H3BrClF3N2

Suppliers	Catalog Number
Matrix Scientific	066683

Database	Data ID
PubChem	11674006

M. W.

311.4857296

CAS

890301-89-0

Similarity

N/A

ID: 61469

1-(2-phenylethyl)guanidine; sulfuric acid

$$$$ Data

M. F.

C9H15N3O4S

Suppliers	Catalog Number
Matrix Scientific	066684

Database	Data ID
PubChem	13398164

M. W.

261.2981

CAS

Similarity

N/A

ID: 61470

4-(4-bromophenyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C11H7BrO2S

Suppliers	Catalog Number
Sigma Aldrich	686913
Matrix Scientific	066685
Apollo Scientific	OR102870

Database	Data ID
PubChem	2757170

M. W.

283.14108

CAS

26145-14-2

Similarity

N/A

ID: 61471

ethyl(pyridin-3-ylmethyl)amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
ChemBridge	9070410
Matrix Scientific	066686

Database	Data ID
PubChem	4716480

M. W.

136.19428

CAS

3000-75-7

Similarity

N/A

ID: 61472

methyl 4-[(4-oxopiperidin-1-yl)methyl]benzoate

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
Matrix Scientific	066687

Database	Data ID
PubChem	28829604

M. W.

247.28968

CAS

Similarity

N/A

ID: 61473

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

$$$$ Data

M. F.

C8H17N3O

Suppliers	Catalog Number
Matrix Scientific	066688
Life Chemicals	F2158-1193
Enamine	EN300-39979

Database	Data ID
PubChem	16785703

M. W.

171.24008

CAS

148716-35-2

Similarity

N/A

ID: 61474

1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]ethan-1-one

$$$$ Data

M. F.

C9H19N3O

Suppliers	Catalog Number
Matrix Scientific	066689

Database	Data ID
PubChem	43251684

M. W.

185.26666

CAS

Similarity

N/A

ID: 61475

1-[4-(3-aminopropyl)piperazin-1-yl]ethan-1-one

$$$$ Data

M. F.

C9H19N3O

Suppliers	Catalog Number
Matrix Scientific	066690

Database	Data ID
PubChem	16792591

M. W.

185.26666

CAS

Similarity

N/A

ID: 61476

1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]ethan-1-one

$$$$ Data

M. F.

C10H21N3O

Suppliers	Catalog Number
Matrix Scientific	066691

Database	Data ID
PubChem	43251377

M. W.

199.29324

CAS

Similarity

N/A

ID: 61477

5-hydrazinyl-2-(trifluoromethyl)-1,6-naphthyridine

$$$$ Data

M. F.

C9H7F3N4

Suppliers	Catalog Number
Matrix Scientific	066692

Database	Data ID
PubChem	11651525

M. W.

228.1738896

CAS

890302-19-9

Similarity

N/A

ID: 61478

N-(piperidin-4-yl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hydrochl...

$$$$ Data

M. F.

C14H18ClF3N4O

Suppliers	Catalog Number
Matrix Scientific	066693

Database	Data ID
PubChem	44890803

M. W.

350.7671296

CAS

Similarity

N/A

ID: 61479

N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine hydrate hy...

$$$$ Data

M. F.

C15H20ClF3N4O

Suppliers	Catalog Number
Matrix Scientific	066694

Database	Data ID
PubChem	44890802

M. W.

364.7937096

CAS

890302-19-9

Similarity

N/A

ID: 61480

{1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl}methanamine

$$$$ Data

M. F.

C15H17F3N4

Suppliers	Catalog Number
Matrix Scientific	066695

Database	Data ID
PubChem	24735477

M. W.

310.3174896

CAS

909644-98-0

Similarity

N/A

ID: 61481

1-(pyridin-2-yl)-1,4-diazepane hydrochloride

$$$$ Data

M. F.

C10H16ClN3

Suppliers	Catalog Number
Matrix Scientific	066696

Database	Data ID
PubChem	17819990

M. W.

213.70714

CAS

Similarity

N/A

ID: 61482

2-cyclopropylbenzaldehyde

$$$$ Data

M. F.

C10H10O

Suppliers	Catalog Number
Matrix Scientific	066697
Enamine	EN300-101853

Database	Data ID
PubChem	15473324

M. W.

146.1858

CAS

Similarity

N/A

ID: 61483

4-(2-hydrazinylethyl)morpholine

$$$$ Data

M. F.

C6H15N3O

Suppliers	Catalog Number
Matrix Scientific	066698
Life Chemicals	F2167-0064
Enamine	EN300-57958

Database	Data ID
PubChem	3029394

M. W.

145.2028

CAS

2154-24-7

Similarity

N/A

ID: 61484

1-(2-hydrazinylethyl)piperidine

$$$$ Data

M. F.

C7H17N3

Suppliers	Catalog Number
Matrix Scientific	066699
Enamine	EN300-42547

Database	Data ID
PubChem	3030568

M. W.

143.22998

CAS

6979-01-7

Similarity

N/A

ID: 61485

N-(2-fluoro-4-methanesulfonylphenyl)piperidin-4-amine hydrochloride

$$$$ Data

M. F.

C12H18ClFN2O2S

Suppliers	Catalog Number
Matrix Scientific	066700

Database	Data ID
PubChem	44890804

M. W.

308.7999232

CAS

Similarity

N/A

ID: 61486

10-fluoro-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaene-...

$$$$ Data

M. F.

C10H7FN2O3S

Suppliers	Catalog Number
Matrix Scientific	066701
Apollo Scientific	PC0963

Database	Data ID
PubChem	44717192

M. W.

254.2375832

CAS

Similarity

N/A

ID: 61487

5-bromo-8-chloro-1,7-naphthyridine

$$$$ Data

M. F.

C8H4BrClN2

Suppliers	Catalog Number
Matrix Scientific	066702
Life Chemicals	F1957-0056

Database	Data ID
PubChem	42281365

M. W.

243.48776

CAS

909649-06-5

Similarity

N/A

ID: 61488

5,6-dihydro-1,6-naphthyridin-5-one

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Matrix Scientific	066703
Bide Pharmatech	BD160716
A&J Pharmtech	AJA-O24590

Database	Data ID
PubChem	5520368

M. W.

146.14604

CAS

23616-31-1

Similarity

N/A

ID: 61489

5-chloro-1,6-naphthyridine

$$$$ Data

M. F.

C8H5ClN2

Suppliers	Catalog Number
Matrix Scientific	066704
Bide Pharmatech	BD103218
A&J Pharmtech	AJA-O35237

Database	Data ID
PubChem	12204234

M. W.

164.5917

CAS

23616-32-2

Similarity

N/A

ID: 61490

1,6-naphthyridine-5-carboxylic acid

$$$$ Data

M. F.

C9H6N2O2

Suppliers	Catalog Number
Matrix Scientific	066705
Life Chemicals	F1957-0047

Database	Data ID
PubChem	12549437

M. W.

174.15614

CAS

74048-24-1

Similarity

N/A

ID: 61491

1,6-naphthyridin-5-yl trifluoromethanesulfonate

$$$$ Data

M. F.

C9H5F3N2O3S

Suppliers	Catalog Number
Matrix Scientific	066706

Database	Data ID
PubChem	44890805

M. W.

278.2078096

CAS

909649-09-8

Similarity

N/A

ID: 61492

8-bromo-5-chloro-1,6-naphthyridine

$$$$ Data

M. F.

C8H4BrClN2

Suppliers	Catalog Number
Matrix Scientific	066707

Database	Data ID
PubChem	16093129

M. W.

243.48776

CAS

909649-12-3

Similarity

N/A

ID: 61493

5-(piperazin-1-yl)-1,6-naphthyridine hydrochloride

$$$$ Data

M. F.

C12H15ClN4

Suppliers	Catalog Number
Matrix Scientific	066708

Database	Data ID
PubChem	45026862

M. W.

250.7273

CAS

Similarity

N/A

ID: 61494

methyl 4-(aminomethyl)benzoate hydrochloride

$$$$ Data More

M. F.

C9H12ClNO2

Suppliers	Catalog Number
Sigma Aldrich	479993
Matrix Scientific	066709
Apollo Scientific	OR6787

Database	Data ID
PubChem	2729253

M. W.

201.65008

CAS

18469-52-8

Similarity

N/A

ID: 61495

5-(piperazin-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine

$$$$ Data

M. F.

C13H13F3N4

Suppliers	Catalog Number
Matrix Scientific	066710

Database	Data ID
PubChem	11514685

M. W.

282.2643296

CAS

890302-17-7

Similarity

N/A

ID: 61496

(4-methanesulfonyl-2-nitrophenyl)methanol

$$$$ Data

M. F.

C8H9NO5S

Suppliers	Catalog Number
Matrix Scientific	066711

Database	Data ID
PubChem	45026863

M. W.

231.22576

CAS

Similarity

N/A

ID: 61497

6-(hydroxymethyl)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C7H7NO3

Suppliers	Catalog Number
Matrix Scientific	066712
Apollo Scientific	OR52053
Bide Pharmatech	BD109357

Database	Data ID
PubChem	11789404

M. W.

153.13538

CAS

1197-10-0

Similarity

N/A

ID: 61498

5-fluoronaphthalen-1-ol

$$$$ Data

M. F.

C10H7FO

Suppliers	Catalog Number
Matrix Scientific	066713

Database	Data ID
PubChem	12336391

M. W.

162.1603832

CAS

61761-32-8

Similarity

N/A

ID: 61499

8-(piperazin-1-yl)-1,2,3,4-tetrahydro-1,7-naphthyridine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N4

Suppliers	Catalog Number
Matrix Scientific	066714

Database	Data ID
PubChem	50998844

M. W.

291.22

CAS

Similarity

N/A

ID: 61500

2-{benzyl[(tert-butoxy)carbonyl]amino}acetic acid

$$$$ Data

M. F.

C14H19NO4

Suppliers	Catalog Number
Matrix Scientific	066715
Bide Pharmatech	BD165746

Database	Data ID
PubChem	10515816

M. W.

265.30496

CAS

76315-01-0

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