Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Maybridge	CC38516
Apollo Scientific	OR6756

Database	Data ID
PubChem	7162332

M. W.

172.22638

CAS

175696-73-8

Similarity

N/A

ID: 91202

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

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Maybridge	CC45622
Apollo Scientific	OR6757
A&J Pharmtech	AJA-O9404

Database	Data ID
PubChem	782222

M. W.

248.3208

CAS

314268-40-1

Similarity

N/A

ID: 91203

ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C10H9NO3S

Suppliers	Catalog Number
Maybridge	SPB04177
Apollo Scientific	OR6758

Database	Data ID
PubChem	2745138

M. W.

223.24836

CAS

90924-54-2

Similarity

N/A

ID: 91204

tert-butyl 4-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxyla...

$$$$ Data

M. F.

C15H24N2O3S

Suppliers	Catalog Number
Maybridge	CC31109
Apollo Scientific	OR6759

Database	Data ID
PubChem	7164575

M. W.

312.42766

CAS

857283-66-0

Similarity

N/A

ID: 91205

2-amino-3-bromo-5-chlorobenzonitrile

$$$$ Data

M. F.

C7H4BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR6760

Database	Data ID
PubChem	20455361

M. W.

231.47706

CAS

Similarity

N/A

ID: 91206

2-amino-5-bromo-3-chlorobenzonitrile

$$$$ Data

M. F.

C7H4BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR6761

Database	Data ID
PubChem	26598311

M. W.

231.47706

CAS

Similarity

N/A

ID: 91207

4-amino-3-bromo-5-chlorobenzonitrile

$$$$ Data

M. F.

C7H4BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR6762

Database	Data ID
PubChem	15333312

M. W.

231.47706

CAS

201857-39-8

Similarity

N/A

ID: 91208

2-chloro-4-methyl-6-nitroaniline

$$$$ Data

M. F.

C7H7ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR6763

Database	Data ID
PubChem	79595

M. W.

186.59568

CAS

5465-33-8

Similarity

N/A

ID: 91209

methyl 4-amino-3-bromo-5-chlorobenzoate

$$$$ Data

M. F.

C8H7BrClNO2

Suppliers	Catalog Number
Apollo Scientific	OR6764

Database	Data ID
PubChem	26967136

M. W.

264.50368

CAS

Similarity

N/A

ID: 91210

methyl 4-amino-3,5-dibromobenzoate

$$$$ Data

M. F.

C8H7Br2NO2

Suppliers	Catalog Number
Apollo Scientific	OR6765

Database	Data ID
PubChem	11001350

M. W.

308.95468

CAS

3282-10-8

Similarity

N/A

ID: 91211

methyl 4-amino-3,5-dichlorobenzoate

$$$$ Data

M. F.

C8H7Cl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR6766

Database	Data ID
PubChem	604808

M. W.

220.05268

CAS

41727-48-4

Similarity

N/A

ID: 91212

methyl 5-methylhex-2-enoate

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
Alfa Aesar	L20190
Apollo Scientific	OR6768

Database	Data ID
PubChem	5702852

M. W.

142.19556

CAS

75513-56-3

Similarity

N/A

ID: 91213

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene)hydroxylamine

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR6769

Database	Data ID
PubChem	6304077

M. W.

191.22642

CAS

54951-36-9

Similarity

N/A

ID: 91214

methyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate

$$$$ Data

M. F.

C10H11I2NO3

Suppliers	Catalog Number
Apollo Scientific	OR6772

Database	Data ID
PubChem	14216724

M. W.

447.00818

CAS

76318-50-8

Similarity

N/A

ID: 91215

methyl (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoate hydrochloride

$$$$ Data

M. F.

C10H12ClI2NO3

Suppliers	Catalog Number
Apollo Scientific	OR6773

Database	Data ID
PubChem	56777166

M. W.

483.46912

CAS

151266-48-7

Similarity

N/A

ID: 91216

N'-acetylacetohydrazide

$$$$ Data More

M. F.

C4H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	D8402
MP Biomedicals	05211116
Alfa Aesar	A13393

Database	Data ID
PubChem	72884

M. W.

116.11852

CAS

3148-73-0

Similarity

N/A

ID: 91217

[3-(benzyloxy)phenyl]hydrazine hydrochloride

$$$$ Data

M. F.

C13H15ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR6775
A&J Pharmtech	AJA-O34000

Database	Data ID
PubChem	12891839

M. W.

250.724

CAS

56468-67-8

Similarity

N/A

ID: 91218

sodium chloro(4-sulfonatophenyl)mercury

$$$$ Data

M. F.

C6H4ClHgNaO3S

Suppliers	Catalog Number
Apollo Scientific	OR6775T

Database	Data ID
PubChem	3653477

M. W.

415.19193

CAS

14110-97-5

Similarity

N/A

ID: 91219

(3-bromo-2-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H9BrO2

Suppliers	Catalog Number
Apollo Scientific	OR6779

Database	Data ID
PubChem	17750316

M. W.

217.05986

CAS

Similarity

N/A

ID: 91220

3-nitrobenzene-1,2-diamine

$$$$ Data More

M. F.

C6H7N3O2

Suppliers	Catalog Number
Sigma Aldrich	N21308 73625
Alfa Aesar	B20201
Apollo Scientific	OR6780

Database	Data ID
PubChem	4359525

M. W.

153.13868

CAS

3694-52-8

Similarity

N/A

ID: 91221

(4-carboxyphenyl)(chloro)mercury

$$$$ Data

M. F.

C7H5ClHgO2

Suppliers	Catalog Number
Sigma Aldrich	C5913 C49607
Apollo Scientific	OR6780T

Database	Data ID
Wikipedia	4-Chloromercuribenzoic_acid
PubChem	1730

M. W.

357.1564

CAS

59-85-8

Similarity

N/A

ID: 91222

4-chloro-2,6-bis(pyridin-2-yl)pyridine

$$$$ Data

M. F.

C15H10ClN3

Suppliers	Catalog Number
Sigma Aldrich	405868
Alfa Aesar	L14728
Apollo Scientific	OR6782

Database	Data ID
PubChem	667748

M. W.

267.713

CAS

128143-89-5

Similarity

N/A

ID: 91223

1-ethoxy-2-isothiocyanatobenzene

$$$$ Data

M. F.

C9H9NOS

Suppliers	Catalog Number
Maybridge	TL00819
Apollo Scientific	OR6784

Database	Data ID
PubChem	123407

M. W.

179.23886

CAS

23163-84-0

Similarity

N/A

ID: 91224

thieno[2,3-b]pyrazine-6-carboxylic acid

$$$$ Data

M. F.

C7H4N2O2S

Suppliers	Catalog Number
Maybridge	CC31501
Apollo Scientific	OR6789

Database	Data ID
PubChem	7164578

M. W.

180.18386

CAS

59944-79-5

Similarity

N/A

ID: 91225

(6-phenylhexa-1,3,5-trien-1-yl)benzene

$$$$ Data

M. F.

C18H16

Suppliers	Catalog Number
Sigma Aldrich	D208000 43050
MP Biomedicals	05213308 02157865
Apollo Scientific	OR6793

Database	Data ID
Wikipedia	Diphenylhexatriene
PubChem	5376733

M. W.

232.31964

CAS

17329-15-6

Similarity

N/A

ID: 91226

methyl({[2-(pyrrolidin-1-yl)pyridin-3-yl]methyl})amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Maybridge	CC43446
Apollo Scientific	OR6796

Database	Data ID
PubChem	7164637

M. W.

191.27278

CAS

857284-17-4

Similarity

N/A

ID: 91227

methyl({3-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amine

$$$$ Data

M. F.

C14H22N2O2

Suppliers	Catalog Number
Maybridge	CC42046
Apollo Scientific	OR6797

Database	Data ID
PubChem	7537548

M. W.

250.33668

CAS

857284-10-7

Similarity

N/A

ID: 91228

methyl({[2-(pyridin-3-yl)phenyl]methyl})amine

$$$$ Data

M. F.

C13H14N2

Suppliers	Catalog Number
Maybridge	CC41846
Apollo Scientific	OR6798

Database	Data ID
PubChem	7164613

M. W.

198.26366

CAS

857284-05-0

Similarity

N/A

ID: 91229

thiophen-2-ylmethanamine

$$$$ Data More

M. F.

C5H7NS

Suppliers	Catalog Number
Sigma Aldrich	220884
MP Biomedicals	05217777
Alfa Aesar	A11700

Database	Data ID
PubChem	34005

M. W.

113.18078

CAS

27757-85-3

Similarity

N/A

ID: 91230

methyl({[3-(pyrimidin-5-yl)phenyl]methyl})amine

$$$$ Data

M. F.

C12H13N3

Suppliers	Catalog Number
Apollo Scientific	OR6800

Database	Data ID
PubChem	7164611

M. W.

199.25172

CAS

852431-03-9

Similarity

N/A

ID: 91231

4-chloro-6-methoxy-1H-indole

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Apollo Scientific	OR6800T
TRC	C368000

Database	Data ID
PubChem	124511

M. W.

181.61892

CAS

93490-31-4

Similarity

N/A

ID: 91232

methyl({[3-(morpholin-4-ylmethyl)phenyl]methyl})amine

$$$$ Data

M. F.

C13H20N2O

Suppliers	Catalog Number
Maybridge	CC40146
Apollo Scientific	OR6801

Database	Data ID
PubChem	7537524

M. W.

220.3107

CAS

857283-92-2

Similarity

N/A

ID: 91233

{[4-(furan-2-yl)phenyl]methyl}(methyl)amine

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Maybridge	CC34446
Apollo Scientific	OR6802

Database	Data ID
PubChem	7537512

M. W.

187.23772

CAS

859850-67-2

Similarity

N/A

ID: 91234

methyl({[3-(morpholin-4-yl)phenyl]methyl})amine

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Maybridge	CC33846
Apollo Scientific	OR6803

Database	Data ID
PubChem	7164586

M. W.

206.28412

CAS

864068-83-7

Similarity

N/A

ID: 91235

methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
Maybridge	CC23646
Apollo Scientific	OR6804
A&J Pharmtech	AJA-O25710

Database	Data ID
PubChem	7164555

M. W.

125.17164

CAS

384821-19-6

Similarity

N/A

ID: 91236

[(1,5-dimethyl-1H-pyrazol-3-yl)methyl](methyl)amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
Apollo Scientific	OR6805

Database	Data ID
PubChem	7164548

M. W.

139.19822

CAS

852227-88-4

Similarity

N/A

ID: 91237

[2-(thiophen-2-yl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C11H12ClNS

Suppliers	Catalog Number
Maybridge	CC35563
Apollo Scientific	OR6806

Database	Data ID
PubChem	18525724

M. W.

225.73768

CAS

863991-95-1

Similarity

N/A

ID: 91238

{3-[2-(morpholin-4-yl)ethoxy]phenyl}methanamine

$$$$ Data

M. F.

C13H20N2O2

Suppliers	Catalog Number
Maybridge	CC42013
Apollo Scientific	OR6807
Enamine	EN300-56090

Database	Data ID
PubChem	7164624

M. W.

236.3101

CAS

857284-08-3

Similarity

N/A

ID: 91239

2-propylpentanoyl chloride

$$$$ Data

M. F.

C8H15ClO

Suppliers	Catalog Number
Alfa Aesar	L08852
Apollo Scientific	OR6808

Database	Data ID
PubChem	76240

M. W.

162.6571

CAS

2936-08-5

Similarity

N/A

ID: 91240

(1,3-thiazol-2-yl)thiourea

$$$$ Data

M. F.

C4H5N3S2

Suppliers	Catalog Number
Apollo Scientific	OR6809

Database	Data ID
PubChem	2771008

M. W.

159.2326

CAS

Similarity

N/A

ID: 91241

(pyrimidin-2-yl)thiourea

$$$$ Data

M. F.

C5H6N4S

Suppliers	Catalog Number
Apollo Scientific	OR6812
Life Chemicals	F1906-0021

Database	Data ID
PubChem	2760516

M. W.

154.19294

CAS

31437-20-4

Similarity

N/A

ID: 91242

2-(3-chloro-4-hydroxyphenyl)acetic acid

$$$$ Data

M. F.

C8H7ClO3

Suppliers	Catalog Number
Sigma Aldrich	224529
Apollo Scientific	OR6818

Database	Data ID
PubChem	118534

M. W.

186.59238

CAS

33697-81-3

Similarity

N/A

ID: 91243

ethyl 2-(diethoxyphosphoryl)propanoate

$$$$ Data More

M. F.

C9H19O5P

Suppliers	Catalog Number
Sigma Aldrich	174653
MP Biomedicals	02157017
Alfa Aesar	B23261

Database	Data ID
PubChem	107155

M. W.

238.217921

CAS

3699-66-9

Similarity

N/A

ID: 91244

diethyl (cyanomethyl)phosphonate

$$$$ Data More

M. F.

C6H12NO3P

Suppliers	Catalog Number
Sigma Aldrich	D91705 28503
MP Biomedicals	05206945
Alfa Aesar	A10218

Database	Data ID
PubChem	75676

M. W.

177.138141

CAS

2537-48-6

Similarity

N/A

ID: 91245

cyclopentyltriphenylphosphanium bromide

$$$$ Data

M. F.

C23H24BrP

Suppliers	Catalog Number
Alfa Aesar	A14647
Apollo Scientific	OR6823

Database	Data ID
PubChem	2735896

M. W.

411.314421

CAS

7333-52-0

Similarity

N/A

ID: 91246

N-(diethoxyphosphoryl)aniline

$$$$ Data

M. F.

C10H16NO3P

Suppliers	Catalog Number
Apollo Scientific	OR6824

Database	Data ID
PubChem	15049

M. W.

229.212701

CAS

1445-38-1

Similarity

N/A

ID: 91247

6-bromocyclohex-4-ene-1,2,3-triol

$$$$ Data

M. F.

C6H9BrO3

Suppliers	Catalog Number
MP Biomedicals	02158879
Apollo Scientific	OR6825T
TRC	B682500

Database	Data ID
PubChem	122062

M. W.

209.03786

CAS

42014-74-4

Similarity

N/A

ID: 91248

1-(2-chloroethyl)-4-(2-methoxyphenyl)piperazine dihydrochloride

$$$$ Data

M. F.

C13H21Cl3N2O

Suppliers	Catalog Number
Apollo Scientific	OR6830

Database	Data ID
PubChem	44119684

M. W.

327.67764

CAS

43091-72-1

Similarity

N/A

ID: 91249

1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine dihydrochloride

$$$$ Data

M. F.

C14H23Cl3N2O

Suppliers	Catalog Number
Apollo Scientific	OR6831

Database	Data ID
PubChem	44119675

M. W.

341.70422

CAS

21279-77-6

Similarity

N/A

ID: 91250

1,4,5,8,9-pentamethyl-9H-carbazole

$$$$ Data

M. F.

C17H19N

Suppliers	Catalog Number
Sigma Aldrich	261831
Apollo Scientific	OR6832

Database	Data ID
PubChem	617026

M. W.

237.33946

CAS

27477-88-9

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