Chembase list of 866358 unique molecular structures

2,5-dichloro-3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)thiophene

$$$$ Data

M. F.

C12H9Cl3S2

Suppliers	Catalog Number
Apollo Scientific	OR24004

Database	Data ID
PubChem	2777222

M. W.

323.68886

CAS

Similarity

N/A

ID: 81352

2-(pyridin-2-yldisulfanyl)pyridine

$$$$ Data More

M. F.

C10H8N2S2

Suppliers	Catalog Number
Sigma Aldrich	D5767 143049 43791 (more...)
MP Biomedicals	02150987
Alfa Aesar	A11118

Database	Data ID
Wikipedia	2,2'-Dipyridyldisulfide
PubChem	65093

M. W.

220.31392

CAS

2127-03-9

Similarity

N/A

ID: 81353

[6-({[(trichloroethenyl)carbamoyl]oxy}methyl)pyridin-2-yl]methyl N-(trichloroeth...

$$$$ Data

M. F.

C13H9Cl6N3O4

Suppliers	Catalog Number
Apollo Scientific	OR24006

Database	Data ID
PubChem	2777224

M. W.

483.94626

CAS

Similarity

N/A

ID: 81354

5-{[(1H-1,2,3,4-tetrazol-5-ylmethyl)sulfanyl]methyl}-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C4H6N8S

Suppliers	Catalog Number
Apollo Scientific	OR24007

Database	Data ID
PubChem	2777225

M. W.

198.20904

CAS

4900-33-8

Similarity

N/A

ID: 81355

5-chloro-N-[(2-chloro-6-phenoxyphenyl)methyl]-1,3-dimethyl-1H-pyrazole-4-sulfona...

$$$$ Data

M. F.

C18H17Cl2N3O3S

Suppliers	Catalog Number
Apollo Scientific	OR24008

Database	Data ID
PubChem	2777226

M. W.

426.31688

CAS

Similarity

N/A

ID: 81356

4-(hydrazinylmethylidene)-2-methyloxolan-3-one

$$$$ Data

M. F.

C6H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR24009

Database	Data ID
PubChem	2777227

M. W.

142.1558

CAS

Similarity

N/A

ID: 81357

1H-indol-4-yl acetate

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Sigma Aldrich	259047
Apollo Scientific	OR2401
A&J Pharmtech	AJA-O38444

Database	Data ID
PubChem	583934

M. W.

175.18396

CAS

5585-96-6

Similarity

N/A

ID: 81358

N-(2-methyloxolan-3-ylidene)hydroxylamine

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Apollo Scientific	OR24010

Database	Data ID
PubChem	5708806

M. W.

115.13046

CAS

Similarity

N/A

ID: 81359

diethylpropanedinitrile

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Apollo Scientific	OR24011

Database	Data ID
PubChem	2777231

M. W.

122.1677

CAS

Similarity

N/A

ID: 81360

ethyl {[1-methyl-5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]carbamoyl}formate

$$$$ Data

M. F.

C8H12N4O3S

Suppliers	Catalog Number
Apollo Scientific	OR24013

Database	Data ID
PubChem	2777233

M. W.

244.27088

CAS

Similarity

N/A

ID: 81361

ethyl [(trimethyl-1H-pyrazol-4-yl)carbamoyl]formate

$$$$ Data

M. F.

C10H15N3O3

Suppliers	Catalog Number
Apollo Scientific	OR24014

Database	Data ID
PubChem	2777234

M. W.

225.2444

CAS

Similarity

N/A

ID: 81362

[1-(2-azidophenyl)ethylidene]amino N-phenylcarbamate

$$$$ Data

M. F.

C15H13N5O2

Suppliers	Catalog Number
Apollo Scientific	OR24015

Database	Data ID
PubChem	9582156

M. W.

295.29602

CAS

Similarity

N/A

ID: 81363

[1-(2-azidophenyl)ethylidene]amino N-(3-chlorophenyl)carbamate

$$$$ Data

M. F.

C15H12ClN5O2

Suppliers	Catalog Number
Apollo Scientific	OR24016

Database	Data ID
PubChem	9582157

M. W.

329.74108

CAS

Similarity

N/A

ID: 81364

[1-(2-azidophenyl)ethylidene]amino benzoate

$$$$ Data

M. F.

C15H12N4O2

Suppliers	Catalog Number
Apollo Scientific	OR24017

Database	Data ID
PubChem	9582158

M. W.

280.28138

CAS

Similarity

N/A

ID: 81365

3-amino-2-methylprop-2-enal

$$$$ Data

M. F.

C4H7NO

Suppliers	Catalog Number
Maybridge	RH01431
Apollo Scientific	OR2402

Database	Data ID
PubChem	637539

M. W.

85.10448

CAS

30989-81-2

Similarity

N/A

ID: 81366

1,3-dimethoxy-2-(methylsulfanyl)benzene

$$$$ Data

M. F.

C9H12O2S

Suppliers	Catalog Number
Apollo Scientific	OR24020

Database	Data ID
PubChem	603551

M. W.

184.25538

CAS

33617-67-3

Similarity

N/A

ID: 81367

2-bromo-1-[5-(2,4-dichlorophenyl)furan-2-yl]ethan-1-one

$$$$ Data

M. F.

C12H7BrCl2O2

Suppliers	Catalog Number
Apollo Scientific	OR24021

Database	Data ID
PubChem	1478588

M. W.

333.99278

CAS

Similarity

N/A

ID: 81368

2-bromo-1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethan-1-one

$$$$ Data

M. F.

C12H6BrCl3O2

Suppliers	Catalog Number
Apollo Scientific	OR24022

Database	Data ID
PubChem	2777242

M. W.

368.43784

CAS

Similarity

N/A

ID: 81369

2,6-dimethoxybenzaldehyde

$$$$ Data More

M. F.

C9H10O3

Suppliers	Catalog Number
Sigma Aldrich	292508
Alfa Aesar	A12209
Apollo Scientific	OR24023

Database	Data ID
PubChem	96404

M. W.

166.1739

CAS

3392-97-0

Similarity

N/A

ID: 81370

5-chloro-1-methyl-N-phenyl-1H-pyrazole-3-carboxamide

$$$$ Data

M. F.

C11H10ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR24024

Database	Data ID
PubChem	2777243

M. W.

235.6696

CAS

Similarity

N/A

ID: 81371

5-chloro-1-methyl-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide

$$$$ Data

M. F.

C10H9ClN4O

Suppliers	Catalog Number
Apollo Scientific	OR24026

Database	Data ID
PubChem	2777246

M. W.

236.65766

CAS

Similarity

N/A

ID: 81372

1-(5-chloro-1-methyl-1H-pyrazole-3-carbonyl)piperidine

$$$$ Data

M. F.

C10H14ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR24027

Database	Data ID
PubChem	2777247

M. W.

227.69066

CAS

Similarity

N/A

ID: 81373

5-chloro-1-methyl-N'-phenyl-1H-pyrazole-3-carbohydrazide

$$$$ Data

M. F.

C11H11ClN4O

Suppliers	Catalog Number
Apollo Scientific	OR24028

Database	Data ID
PubChem	2777248

M. W.

250.68424

CAS

Similarity

N/A

ID: 81374

4-methoxyphenyl 5-chloro-1-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C12H11ClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR24029

Database	Data ID
PubChem	2777249

M. W.

266.68034

CAS

Similarity

N/A

ID: 81375

1-(4-acetylpiperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Maybridge	CD11879
Apollo Scientific	OR24030

Database	Data ID
PubChem	2777250

M. W.

169.2209

CAS

162368-01-6

Similarity

N/A

ID: 81376

1-[4-(4-nitrophenoxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C14H11NO4

Suppliers	Catalog Number
Alfa Aesar	B20592
Maybridge	CD11905
Apollo Scientific	OR24031

Database	Data ID
PubChem	238604

M. W.

257.24144

CAS

75919-92-5

Similarity

N/A

ID: 81377

1-[4-(2,4-dichlorophenoxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C14H10Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR24032

Database	Data ID
PubChem	2777252

M. W.

281.134

CAS

129644-21-9

Similarity

N/A

ID: 81378

1-[4-(4-methoxyphenoxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Alfa Aesar	L09829
Apollo Scientific	OR24033

Database	Data ID
PubChem	2777253

M. W.

242.26986

CAS

54916-28-8

Similarity

N/A

ID: 81379

1-[4-(benzenesulfonyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C14H12O3S

Suppliers	Catalog Number
Alfa Aesar	A18376
Apollo Scientific	OR24034

Database	Data ID
PubChem	265878

M. W.

260.30828

CAS

65085-83-8

Similarity

N/A

ID: 81380

2-chlorophenyl 5-(dichloromethyl)furan-2-sulfonate

$$$$ Data

M. F.

C11H7Cl3O4S

Suppliers	Catalog Number
Apollo Scientific	OR24035

Database	Data ID
PubChem	2777255

M. W.

341.59488

CAS

Similarity

N/A

ID: 81381

2,4,6-trichlorophenyl 5-(dichloromethyl)furan-2-sulfonate

$$$$ Data

M. F.

C11H5Cl5O4S

Suppliers	Catalog Number
Apollo Scientific	OR24036

Database	Data ID
PubChem	2777256

M. W.

410.485

CAS

Similarity

N/A

ID: 81382

4-chlorophenyl 5-(dichloromethyl)furan-2-sulfonate

$$$$ Data

M. F.

C11H7Cl3O4S

Suppliers	Catalog Number
Apollo Scientific	OR24037

Database	Data ID
PubChem	2777257

M. W.

341.59488

CAS

Similarity

N/A

ID: 81383

2,6-dichlorophenyl 5-(dichloromethyl)furan-2-sulfonate

$$$$ Data

M. F.

C11H6Cl4O4S

Suppliers	Catalog Number
Apollo Scientific	OR24038

Database	Data ID
PubChem	2777258

M. W.

376.03994

CAS

Similarity

N/A

ID: 81384

3,4-dichlorophenyl 5-(dichloromethyl)furan-2-sulfonate

$$$$ Data

M. F.

C11H6Cl4O4S

Suppliers	Catalog Number
Apollo Scientific	OR24039

Database	Data ID
PubChem	2777259

M. W.

376.03994

CAS

Similarity

N/A

ID: 81385

4-(5-{4-[dimethyl(prop-2-en-1-yl)azaniumyl]phenyl}-3-oxopentyl)-N,N-dimethyl-N-(...

$$$$ Data

M. F.

C27H38BrN2O+

Suppliers	Catalog Number
Apollo Scientific	OR2404

Database	Data ID
PubChem	25162986

M. W.

486.50742

CAS

Similarity

N/A

ID: 81386

2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}pyridin-1-ium-1-olate

$$$$ Data

M. F.

C10H10N2OS2

Suppliers	Catalog Number
Apollo Scientific	OR24040

Database	Data ID
PubChem	2777260

M. W.

238.3292

CAS

Similarity

N/A

ID: 81387

5-nitrothiophene-3-carbaldehyde

$$$$ Data

M. F.

C5H3NO3S

Suppliers	Catalog Number
Alfa Aesar	L10793
Apollo Scientific	OR24041
Enamine	EN300-44170

Database	Data ID
PubChem	144730

M. W.

157.14722

CAS

75428-45-4

Similarity

N/A

ID: 81388

5-nitrothiophene-3-carbonitrile

$$$$ Data

M. F.

C5H2N2O2S

Suppliers	Catalog Number
Alfa Aesar	L11428
Maybridge	DFP00020
Apollo Scientific	OR24042

Database	Data ID
PubChem	142579

M. W.

154.14658

CAS

42137-23-5

Similarity

N/A

ID: 81389

4-(prop-2-yn-1-yl)-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C7H11NO2S

Suppliers	Catalog Number
Maybridge	DFP00032
Apollo Scientific	OR24044

Database	Data ID
PubChem	2777265

M. W.

173.23274

CAS

10442-03-2

Similarity

N/A

ID: 81390

1,4λ⁶-oxathiane-4,4-dione

$$$$ Data

M. F.

C4H8O3S

Suppliers	Catalog Number
Alfa Aesar	A10210
Apollo Scientific	OR24045
Bide Pharmatech	BD54811

Database	Data ID
PubChem	7878

M. W.

136.16952

CAS

107-61-9

Similarity

N/A

ID: 81391

4-(furan-2-ylmethyl)-1λ⁶,4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C9H13NO3S

Suppliers	Catalog Number
Maybridge	DFP00060
Apollo Scientific	OR24047

Database	Data ID
PubChem	318460

M. W.

215.26942

CAS

79206-94-3

Similarity

N/A

ID: 81392

4-(thiophen-2-ylmethyl)-1$l^{6},4-thiomorpholine-1,1-dione

$$$$ Data

M. F.

C9H13NO2S2

Suppliers	Catalog Number
Apollo Scientific	OR24048

Database	Data ID
PubChem	2777268

M. W.

231.33502

CAS

175136-91-1

Similarity

N/A

ID: 81393

1-nitro-3-(trichloromethyl)benzene

$$$$ Data

M. F.

C7H4Cl3NO2

Suppliers	Catalog Number
Apollo Scientific	OR24049

Database	Data ID
PubChem	2777269

M. W.

240.47116

CAS

Similarity

N/A

ID: 81394

2-[(4-chlorophenyl)sulfanyl]thiophene-3-carbaldehyde

$$$$ Data

M. F.

C11H7ClOS2

Suppliers	Catalog Number
Apollo Scientific	OR2405

Database	Data ID
PubChem	2735810

M. W.

254.75568

CAS

306935-23-9

Similarity

N/A

ID: 81395

4-(1,3-oxazol-5-yl)benzonitrile

$$$$ Data

M. F.

C10H6N2O

Suppliers	Catalog Number
Apollo Scientific	OR24050
A&J Pharmtech	AJA-O11311 AJA-O13030

Database	Data ID
PubChem	2777271

M. W.

170.16744

CAS

87150-13-8

Similarity

N/A

ID: 81396

5-(2-nitrophenyl)-1,3-oxazole

$$$$ Data

M. F.

C9H6N2O3

Suppliers	Catalog Number
Apollo Scientific	OR24051

Database	Data ID
PubChem	2777272

M. W.

190.15554

CAS

89808-75-3

Similarity

N/A

ID: 81397

3-(4-chloro-3-nitrophenyl)-1-[4-(1,3-oxazol-5-yl)phenyl]urea

$$$$ Data

M. F.

C16H11ClN4O4

Suppliers	Catalog Number
Apollo Scientific	OR24053

Database	Data ID
PubChem	2777274

M. W.

358.73594

CAS

Similarity

N/A

ID: 81398

2-chloro-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide

$$$$ Data

M. F.

C11H9ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR24054

Database	Data ID
PubChem	2777275

M. W.

236.65436

CAS

Similarity

N/A

ID: 81399

2-chloro-N-{4-methyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}pyridine-3-car...

$$$$ Data

M. F.

C15H14ClN3O2S

Suppliers	Catalog Number
Apollo Scientific	OR24055

Database	Data ID
PubChem	2777276

M. W.

335.80856

CAS

Similarity

N/A

ID: 81400

methyl 3-{[(2-chloropyridine-3-carbonyl)carbamoyl]amino}benzoate

$$$$ Data

M. F.

C15H12ClN3O4

Suppliers	Catalog Number
Apollo Scientific	OR24056

Database	Data ID
PubChem	2777278

M. W.

333.72648

CAS

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