Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Sigma Aldrich	303968
Apollo Scientific	OR21152

Database	Data ID
PubChem	79548

M. W.

190.28472

CAS

5452-83-5

Similarity

N/A

ID: 78752

4-(propan-2-yl)-N-[2-(pyridin-2-yl)ethyl]aniline

$$$$ Data

M. F.

C16H20N2

Suppliers	Catalog Number
Apollo Scientific	OR21153

Database	Data ID
PubChem	2774221

M. W.

240.3434

CAS

Similarity

N/A

ID: 78753

ethyl 2-chloro-5-nitrobenzoate

$$$$ Data

M. F.

C9H8ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR21154

Database	Data ID
PubChem	2774222

M. W.

229.61712

CAS

Similarity

N/A

ID: 78754

4-({[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}methyl)benzonitrile

$$$$ Data

M. F.

C15H10Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR21155

Database	Data ID
PubChem	5935551

M. W.

305.1587

CAS

Similarity

N/A

ID: 78755

2-amino-5-methylbenzohydrazide

$$$$ Data

M. F.

C8H11N3O

Suppliers	Catalog Number
Apollo Scientific	OR21156

Database	Data ID
PubChem	2774226

M. W.

165.19244

CAS

28461-49-6

Similarity

N/A

ID: 78756

2-amino-5-chlorobenzamide

$$$$ Data

M. F.

C7H7ClN2O

Suppliers	Catalog Number
Alfa Aesar	A11153
Apollo Scientific	OR21158
Enamine	EN300-52496

Database	Data ID
PubChem	78876

M. W.

170.59628

CAS

5202-85-7

Similarity

N/A

ID: 78757

2-amino-5-nitrobenzamide

$$$$ Data

M. F.

C7H7N3O3

Suppliers	Catalog Number
Apollo Scientific	OR21159
TRC	N491900
Bide Pharmatech	BD241315

Database	Data ID
PubChem	97665

M. W.

181.14878

CAS

16313-65-8

Similarity

N/A

ID: 78758

N-(2-benzoyl-4-chlorophenyl)formamide

$$$$ Data

M. F.

C14H10ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR21160

Database	Data ID
PubChem	82576

M. W.

259.6877

CAS

Similarity

N/A

ID: 78759

2-methyl-N-[2-(pyridin-2-yl)ethyl]aniline

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Apollo Scientific	OR21161

Database	Data ID
PubChem	2774229

M. W.

212.29024

CAS

Similarity

N/A

ID: 78760

2-(trichloromethyl)-2,4-dihydro-1H-3,1-benzoxazin-4-one

$$$$ Data

M. F.

C9H6Cl3NO2

Suppliers	Catalog Number
Apollo Scientific	OR21162

Database	Data ID
PubChem	334196

M. W.

266.50844

CAS

Similarity

N/A

ID: 78761

2-amino-3,5-dibromobenzoic acid

$$$$ Data More

M. F.

C7H5Br2NO2

Suppliers	Catalog Number
Sigma Aldrich	335797
MP Biomedicals	05213998
Alfa Aesar	L07419

Database	Data ID
PubChem	219491

M. W.

294.9281

CAS

609-85-8

Similarity

N/A

ID: 78762

1-[2-(4-chlorophenyl)-2-oxoethyl]-4-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium bromid...

$$$$ Data

M. F.

C23H20BrClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21164

Database	Data ID
PubChem	2774231

M. W.

455.7747

CAS

Similarity

N/A

ID: 78763

4-[2-(1H-indol-3-yl)ethyl]-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

$$$$ Data

M. F.

C23H21BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR21165

Database	Data ID
PubChem	2774234

M. W.

421.32964

CAS

Similarity

N/A

ID: 78764

4-[2-(1H-indol-3-yl)ethyl]-1-[2-oxo-2-(4-phenylphenyl)ethyl]pyridin-1-ium bromid...

$$$$ Data

M. F.

C29H25BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR21166

Database	Data ID
PubChem	2774237

M. W.

497.4256

CAS

Similarity

N/A

ID: 78765

1-[2-(4-chlorophenyl)-2-oxoethyl]-2-{2-[(3-chlorophenyl)amino]ethyl}pyridin-1-iu...

$$$$ Data

M. F.

C21H19BrCl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR21167

Database	Data ID
PubChem	2774239

M. W.

466.19836

CAS

Similarity

N/A

ID: 78766

N-(2-methoxyphenyl)-2-sulfanylacetamide

$$$$ Data

M. F.

C9H11NO2S

Suppliers	Catalog Number
Apollo Scientific	OR21170

Database	Data ID
PubChem	579591

M. W.

197.25414

CAS

Similarity

N/A

ID: 78767

2-{[(3,5-dichloro-2-hydroxyphenyl)methylidene]amino}-2-methylpropane-1,3-diol

$$$$ Data

M. F.

C11H13Cl2NO3

Suppliers	Catalog Number
Apollo Scientific	OR21171

Database	Data ID
PubChem	5380621

M. W.

278.13182

CAS

Similarity

N/A

ID: 78768

3-(3-amino-4-hydroxyphenyl)propanoic acid

$$$$ Data

M. F.

C9H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR21175

Database	Data ID
PubChem	2774247

M. W.

181.18854

CAS

90717-66-1

Similarity

N/A

ID: 78769

3-amino-1-phenyl-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C10H8N4

Suppliers	Catalog Number
Apollo Scientific	OR21176
Enamine	EN300-82480

Database	Data ID
PubChem	2774249

M. W.

184.19732

CAS

138942-61-7

Similarity

N/A

ID: 78770

2-(dichloromethyl)-3-(2,4-dimethylphenyl)-2-methyl-1,2,3,4-tetrahydroquinazolin-...

$$$$ Data

M. F.

C18H18Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR21177

Database	Data ID
PubChem	2774251

M. W.

349.25432

CAS

Similarity

N/A

ID: 78771

2-(chloromethyl)-2-methyl-3-phenyl-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C16H15ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21178

Database	Data ID
PubChem	330495

M. W.

286.7561

CAS

Similarity

N/A

ID: 78772

2-(chloromethyl)-2-methyl-3-(4-methylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C17H17ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21179

Database	Data ID
PubChem	330496

M. W.

300.78268

CAS

Similarity

N/A

ID: 78773

2-(chloromethyl)-3-(4-chlorophenyl)-2-methyl-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C16H14Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR21180

Database	Data ID
PubChem	330497

M. W.

321.20116

CAS

Similarity

N/A

ID: 78774

1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C14H10N4

Suppliers	Catalog Number
Apollo Scientific	OR21181

Database	Data ID
PubChem	2774255

M. W.

234.256

CAS

95834-35-8

Similarity

N/A

ID: 78775

3-(1H-pyrrol-1-yl)benzonitrile

$$$$ Data

M. F.

C11H8N2

Suppliers	Catalog Number
Maybridge	BTB02480
Apollo Scientific	OR21182

Database	Data ID
PubChem	2774256

M. W.

168.19462

CAS

175134-98-2

Similarity

N/A

ID: 78776

5,6-dichloro-1H-1,3-benzodiazole-2-thiol

$$$$ Data

M. F.

C7H4Cl2N2S

Suppliers	Catalog Number
Alfa Aesar	A14309
Maybridge	BTB02521
Apollo Scientific	OR21183

Database	Data ID
PubChem	2774259

M. W.

219.09106

CAS

19462-98-7

Similarity

N/A

ID: 78777

bis(8-chloro-2-methylquinoline) dichlorozinc dihydrochloride

$$$$ Data

M. F.

C20H18Cl6N2Zn

Suppliers	Catalog Number
Apollo Scientific	OR21184

Database	Data ID
PubChem	2774260

M. W.

564.46832

CAS

Similarity

N/A

ID: 78778

1-benzyl-4-(2,3-dichloro-6-nitrophenyl)piperazine

$$$$ Data

M. F.

C17H17Cl2N3O2

Suppliers	Catalog Number
Apollo Scientific	OR21185

Database	Data ID
PubChem	2774261

M. W.

366.24178

CAS

Similarity

N/A

ID: 78779

1-(4,5-dichloro-2-nitrophenyl)piperidine

$$$$ Data

M. F.

C11H12Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21186

Database	Data ID
PubChem	2774263

M. W.

275.13118

CAS

Similarity

N/A

ID: 78780

2-[(4,5-dichloro-2-nitrophenyl)sulfanyl]-5-methyl-1,3,4-thiadiazole

$$$$ Data

M. F.

C9H5Cl2N3O2S2

Suppliers	Catalog Number
Apollo Scientific	OR21187

Database	Data ID
PubChem	2774265

M. W.

322.1909

CAS

Similarity

N/A

ID: 78781

1,2-dichloro-4-[(4-methylphenyl)sulfanyl]-5-nitrobenzene

$$$$ Data

M. F.

C13H9Cl2NO2S

Suppliers	Catalog Number
Apollo Scientific	OR21188

Database	Data ID
PubChem	2774266

M. W.

314.18706

CAS

Similarity

N/A

ID: 78782

4-(4,5-dichloro-2-nitrophenyl)morpholine

$$$$ Data

M. F.

C10H10Cl2N2O3

Suppliers	Catalog Number
Apollo Scientific	OR21189

Database	Data ID
PubChem	2774267

M. W.

277.104

CAS

Similarity

N/A

ID: 78783

2-(4-nitrophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C8H5N3O3

Suppliers	Catalog Number
Apollo Scientific	OR2119
Enamine	EN300-29551

Database	Data ID
PubChem	683939

M. W.

191.1436

CAS

4291-13-8

Similarity

N/A

ID: 78784

3-[4-(benzyloxy)-5-methoxy-2-nitrophenyl]prop-2-enoic acid

$$$$ Data

M. F.

C17H15NO6

Suppliers	Catalog Number
Apollo Scientific	OR21190

Database	Data ID
PubChem	5708442

M. W.

329.3041

CAS

Similarity

N/A

ID: 78785

3-(5-nitrothiophen-2-yl)prop-2-enoic acid

$$$$ Data

M. F.

C7H5NO4S

Suppliers	Catalog Number
Apollo Scientific	OR21191
TRC	N565440

Database	Data ID
PubChem	5383657

M. W.

199.1839

CAS

17163-22-3

Similarity

N/A

ID: 78786

4H-1,2,4-triazol-4-amine hydrochloride

$$$$ Data

M. F.

C2H5ClN4

Suppliers	Catalog Number
Apollo Scientific	OR21192

Database	Data ID
PubChem	2774270

M. W.

120.5409

CAS

Similarity

N/A

ID: 78787

3,5-dibromo-2-hydroxybenzaldehyde

$$$$ Data More

M. F.

C7H4Br2O2

Suppliers	Catalog Number
Sigma Aldrich	122130
MP Biomedicals	05205925
Alfa Aesar	A13729

Database	Data ID
PubChem	7024

M. W.

279.91346

CAS

90-59-5

Similarity

N/A

ID: 78788

2,2-dichloro-2-{[(2,4-dichlorophenyl)amino]sulfanyl}-N-phenylacetamide

$$$$ Data

M. F.

C14H10Cl4N2OS

Suppliers	Catalog Number
Apollo Scientific	OR21194

Database	Data ID
PubChem	2774272

M. W.

396.119

CAS

Similarity

N/A

ID: 78789

2-chloro-N-(quinolin-8-yl)acetamide

$$$$ Data

M. F.

C11H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21196

Database	Data ID
PubChem	735766

M. W.

220.65496

CAS

Similarity

N/A

ID: 78790

2-chloro-N-(3-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21197
Life Chemicals	F2158-1344
Enamine	EN300-01617

Database	Data ID
PubChem	735767

M. W.

194.61768

CAS

218288-43-8

Similarity

N/A

ID: 78791

4-(2-chloro-6-nitrophenoxy)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C12H7Cl2NO5S

Suppliers	Catalog Number
Maybridge	BTB02778
Apollo Scientific	OR21198

Database	Data ID
PubChem	2774276

M. W.

348.15868

CAS

175135-00-9

Similarity

N/A

ID: 78792

N-(2,6-dimethylphenyl)-2-sulfanylacetamide

$$$$ Data

M. F.

C10H13NOS

Suppliers	Catalog Number
Apollo Scientific	OR21199

Database	Data ID
PubChem	294409

M. W.

195.28132

CAS

Similarity

N/A

ID: 78793

bromotrimethylsilane

$$$$ Data

M. F.

C3H9BrSi

Suppliers	Catalog Number
Sigma Aldrich	194409 92337
Alfa Aesar	A15334
Apollo Scientific	OR2120

Database	Data ID
PubChem	76113

M. W.

153.09306

CAS

2857-97-8

Similarity

N/A

ID: 78794

2-[(2,3-dichloro-6-nitrophenyl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide

$$$$ Data

M. F.

C16H14Cl2N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR21200

Database	Data ID
PubChem	2774278

M. W.

385.26496

CAS

Similarity

N/A

ID: 78795

2,2-dichloro-2-{[(3-chlorophenyl)amino]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

$$$$ Data

M. F.

C16H15Cl3N2OS

Suppliers	Catalog Number
Apollo Scientific	OR21201

Database	Data ID
PubChem	2774280

M. W.

389.7271

CAS

Similarity

N/A

ID: 78796

2,2-dichloro-2-{[(2,4-dichlorophenyl)amino]sulfanyl}-N-(2,6-dimethylphenyl)aceta...

$$$$ Data

M. F.

C16H14Cl4N2OS

Suppliers	Catalog Number
Apollo Scientific	OR21202

Database	Data ID
PubChem	2774282

M. W.

424.17216

CAS

Similarity

N/A

ID: 78797

2,2-dichloro-2-{[(2,3-dichlorophenyl)amino]sulfanyl}-N-phenylacetamide

$$$$ Data

M. F.

C14H10Cl4N2OS

Suppliers	Catalog Number
Apollo Scientific	OR21203

Database	Data ID
PubChem	2774283

M. W.

396.119

CAS

Similarity

N/A

ID: 78798

2,2-dichloro-2-{[(3-chlorophenyl)amino]sulfanyl}-N-phenylacetamide

$$$$ Data

M. F.

C14H11Cl3N2OS

Suppliers	Catalog Number
Apollo Scientific	OR21204

Database	Data ID
PubChem	2774285

M. W.

361.67394

CAS

Similarity

N/A

ID: 78799

3-(3-nitrophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C8H5N3O3

Suppliers	Catalog Number
Apollo Scientific	OR21205
Enamine	EN300-35733

Database	Data ID
PubChem	2774286

M. W.

191.1436

CAS

90049-83-5

Similarity

N/A

ID: 78800

4-chloro-2-nitro-1-(phenylsulfanyl)benzene

$$$$ Data

M. F.

C12H8ClNO2S

Suppliers	Catalog Number
Alfa Aesar	A13225
Apollo Scientific	OR21206

Database	Data ID
PubChem	376977

M. W.

265.71542

CAS

4548-56-5

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