Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C10H16N2

Suppliers	Catalog Number
ChemBridge	4013893
Matrix Scientific	019220
Life Chemicals	F2188-0014

Database	Data ID
PubChem	151268

M. W.

164.24744

CAS

52632-05-0

Similarity

N/A

ID: 17202

2,5-dimethyl-1-(3-methylpyridin-2-yl)-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C13H14N2O

Suppliers	Catalog Number
Matrix Scientific	019221

Database	Data ID
PubChem	6484211

M. W.

214.26306

CAS

Similarity

N/A

ID: 17203

1-(3-hydroxypyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Matrix Scientific	019222

Database	Data ID
PubChem	6484212

M. W.

216.23588

CAS

Similarity

N/A

ID: 17204

2-{[1,2,4]triazolo[4,3-b]pyridazin-6-yloxy}acetic acid

$$$$ Data

M. F.

C7H6N4O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00450
ChemBridge	4014124
Matrix Scientific	019223

Database	Data ID
PubChem	3159674

M. W.

194.14754

CAS

842972-47-8

Similarity

N/A

ID: 17205

2-({3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}oxy)acetic acid hydrochloride

$$$$ Data

M. F.

C8H9ClN4O3

Suppliers	Catalog Number
Matrix Scientific	019224

Database	Data ID
PubChem	45075169

M. W.

244.63506

CAS

Similarity

N/A

ID: 17206

N-methyl-1-(propan-2-yl)piperidin-4-amine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
Matrix Scientific	019225
Enamine	EN300-28929

Database	Data ID
PubChem	3159676

M. W.

156.2685

CAS

Similarity

N/A

ID: 17207

2-aminoquinoline-4-carboxylic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Matrix Scientific	019226
InterBioScreen	BB_NC-2344

Database	Data ID
PubChem	3159677

M. W.

188.18272

CAS

157915-68-9

Similarity

N/A

ID: 17208

2-methyl-1-(2-methylpiperidin-1-yl)propan-2-amine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Matrix Scientific	019227

Database	Data ID
PubChem	6484218

M. W.

170.29508

CAS

Similarity

N/A

ID: 17209

2-methyl-1-(3-methylpiperidin-1-yl)propan-2-amine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Matrix Scientific	019228

Database	Data ID
PubChem	6484219

M. W.

170.29508

CAS

Similarity

N/A

ID: 17210

2-methyl-1-(4-methylpiperazin-1-yl)propan-2-amine

$$$$ Data

M. F.

C9H21N3

Suppliers	Catalog Number
ChemBridge	4014544
Matrix Scientific	019229

Database	Data ID
PubChem	3159678

M. W.

171.28314

CAS

84725-48-4

Similarity

N/A

ID: 17211

1-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
ChemBridge	4014895
Matrix Scientific	019232

Database	Data ID
PubChem	3159681

M. W.

182.30578

CAS

876717-44-1

Similarity

N/A

ID: 17212

3-(2-methyl-1H-indol-1-yl)propanoic acid

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
ChemBridge	4014943
Matrix Scientific	019233
Life Chemicals	F2147-0092

Database	Data ID
PubChem	3164611

M. W.

203.23712

CAS

42951-33-7

Similarity

N/A

ID: 17213

2-(1-methylpiperidin-2-yl)acetic acid hydrochloride

$$$$ Data

M. F.

C8H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	019234

Database	Data ID
PubChem	45156844

M. W.

193.67114

CAS

60979-27-3

Similarity

N/A

ID: 17214

(2H-1,3-benzodioxol-5-ylmethyl)hydrazine hydrochloride

$$$$ Data

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Matrix Scientific	019235

Database	Data ID
PubChem	24189014

M. W.

202.63814

CAS

Similarity

N/A

ID: 17215

4-(2-aminoethoxy)-1-chloro-2-methylbenzene

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Matrix Scientific	019236

Database	Data ID
PubChem	3159684

M. W.

185.65068

CAS

6487-87-2

Similarity

N/A

ID: 17216

2-(dimethylamino)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Matrix Scientific	019238
Enamine	EN300-37252
A&J Pharmtech	AJA-O25642

Database	Data ID
PubChem	6484234

M. W.

166.1772

CAS

77314-81-9

Similarity

N/A

ID: 17217

2-(methylamino)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
ChemBridge	4015123
Matrix Scientific	019239

Database	Data ID
PubChem	6484235

M. W.

152.15062

CAS

876717-53-2

Similarity

N/A

ID: 17218

2-(pyrrolidin-1-yl)pyridine-4-carboxylic acid

$$$$ Data More

M. F.

C10H12N2O2

Suppliers	Catalog Number
ChemBridge	3001893
Matrix Scientific	019240
Maybridge	CC50401

Database	Data ID
PubChem	6484236

M. W.

192.21448

CAS

98088-04-1

Similarity

N/A

ID: 17219

2-(piperidin-1-yl)pyridine-4-carboxylic acid

$$$$ Data More

M. F.

C11H14N2O2

Suppliers	Catalog Number
Matrix Scientific	019241
Maybridge	CC50301
Apollo Scientific	OR2077

Database	Data ID
PubChem	6484237

M. W.

206.24106

CAS

855153-75-2

Similarity

N/A

ID: 17220

3,5-dimethyl-1-benzofuran-2-carbaldehyde

$$$$ Data

M. F.

C11H10O2

Suppliers	Catalog Number
ChemBridge	4015157
Matrix Scientific	019242

Database	Data ID
PubChem	3159687

M. W.

174.1959

CAS

16817-34-8

Similarity

N/A

ID: 17221

3-(2-methoxyphenyl)-1-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Matrix Scientific	019243

Database	Data ID
PubChem	3159688

M. W.

203.24042

CAS

Similarity

N/A

ID: 17222

4-ethyl-3-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
ChemBridge	4015275
Matrix Scientific	019244

Database	Data ID
PubChem	3159689

M. W.

125.17164

CAS

151521-79-8

Similarity

N/A

ID: 17223

4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
ChemBridge	4015276
Matrix Scientific	019245

Database	Data ID
PubChem	6484241

M. W.

139.19822

CAS

1185293-12-2

Similarity

N/A

ID: 17224

4-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C8H9N3S

Suppliers	Catalog Number
ChemBridge	4015344
Matrix Scientific	019246
Life Chemicals	F3379-0361

Database	Data ID
PubChem	3159690

M. W.

179.24216

CAS

Similarity

N/A

ID: 17225

5-methyl-3-(3-methylphenyl)-1,2-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Matrix Scientific	019247

Database	Data ID
PubChem	3159691

M. W.

217.22064

CAS

Similarity

N/A

ID: 17226

(1H-1,3-benzodiazol-2-ylmethyl)(methyl)amine

$$$$ Data More

M. F.

C9H11N3

Suppliers	Catalog Number
ChemBridge	4100109
Matrix Scientific	019248
Life Chemicals	F2101-0059

Database	Data ID
PubChem	3159692

M. W.

161.20374

CAS

98997-01-4

Similarity

N/A

ID: 17227

methyl[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amine hydrochloride

$$$$ Data

M. F.

C10H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	019249
A&J Pharmtech	AJA-O30173

Database	Data ID
PubChem	44118451

M. W.

225.67478

CAS

880361-90-0

Similarity

N/A

ID: 17228

methyl[2-(1H-pyrazol-4-yl)ethyl]amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
ChemBridge	4101522 4087966
Matrix Scientific	019250

Database	Data ID
PubChem	3159693

M. W.

125.17164

CAS

956949-79-4

Similarity

N/A

ID: 17229

4-(2-methyl-1,3-thiazol-4-yl)aniline

$$$$ Data More

M. F.

C10H10N2S

Suppliers	Catalog Number
ChemBridge	4102368
Matrix Scientific	019251
Apollo Scientific	OR4380

Database	Data ID
PubChem	152684

M. W.

190.2648

CAS

25021-49-2

Similarity

N/A

ID: 17230

2-(furan-2-yl)-2-(morpholin-4-yl)ethan-1-amine

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
Matrix Scientific	019252
InterBioScreen	BB_SC-4101

Database	Data ID
PubChem	3159694

M. W.

196.24624

CAS

Similarity

N/A

ID: 17231

6-chloro-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride

$$$$ Data

M. F.

C11H12Cl2N2

Suppliers	Catalog Number
Matrix Scientific	019253

Database	Data ID
PubChem	19807233

M. W.

243.13238

CAS

Similarity

N/A

ID: 17232

1,1-dimethyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

$$$$ Data

M. F.

C14H16N2O2

Suppliers	Catalog Number
Matrix Scientific	019254
Apollo Scientific	OR4487
Life Chemicals	F1371-0197

Database	Data ID
PubChem	326784

M. W.

244.28904

CAS

73198-03-5

Similarity

N/A

ID: 17233

3-methyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
ChemBridge	4140536
Matrix Scientific	019255

Database	Data ID
PubChem	2752638

M. W.

175.18396

CAS

10590-73-5

Similarity

N/A

ID: 17234

sodium 2-(5-chloro-1H-1,3-benzodiazol-2-yl)acetate

$$$$ Data

M. F.

C9H6ClN2NaO2

Suppliers	Catalog Number
Matrix Scientific	019256

Database	Data ID
PubChem	56829408

M. W.

232.59891

CAS

Similarity

N/A

ID: 17235

3-(2-aminoethyl)-5-methoxy-1-methyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
Matrix Scientific	019257

Database	Data ID
PubChem	3159696

M. W.

248.27774

CAS

Similarity

N/A

ID: 17236

4-(morpholin-4-yl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C10H18N2O3

Suppliers	Catalog Number
Matrix Scientific	019258

Database	Data ID
PubChem	3159697

M. W.

214.26152

CAS

Similarity

N/A

ID: 17237

1,3-dimethyl-1H-pyrazole-4-carbonyl chloride

$$$$ Data

M. F.

C6H7ClN2O

Suppliers	Catalog Number
Matrix Scientific	019259

Database	Data ID
PubChem	3159698

M. W.

158.58558

CAS

113100-61-1

Similarity

N/A

ID: 17238

2-(piperidin-1-yl)benzaldehyde

$$$$ Data More

M. F.

C12H15NO

Suppliers	Catalog Number
Matrix Scientific	019261
Key Organics	AA-0712
Apollo Scientific	OR1647

Database	Data ID
PubChem	2062157

M. W.

189.2536

CAS

34595-26-1

Similarity

N/A

ID: 17239

2-(pyrrolidin-1-yl)benzaldehyde

$$$$ Data More

M. F.

C11H13NO

Suppliers	Catalog Number
Matrix Scientific	019262
Maybridge	CC44804
Apollo Scientific	OR9655

Database	Data ID
PubChem	2106885

M. W.

175.22702

CAS

58028-74-3

Similarity

N/A

ID: 17240

5-(morpholin-4-ylmethyl)furan-2-carbaldehyde

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Matrix Scientific	019263
Maybridge	CC72504
Apollo Scientific	OR30815

Database	Data ID
PubChem	3159700

M. W.

195.21512

CAS

392659-97-1

Similarity

N/A

ID: 17241

3-tert-butyl-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Matrix Scientific	019264
Enamine	EN300-24477
Bide Pharmatech	BD161141

Database	Data ID
PubChem	3159701

M. W.

152.19368

CAS

1001020-17-2

Similarity

N/A

ID: 17242

3-(3-fluorophenyl)benzaldehyde

$$$$ Data

M. F.

C13H9FO

Suppliers	Catalog Number
Matrix Scientific	019265
Apollo Scientific	PC11133

Database	Data ID
PubChem	1393994

M. W.

200.2083632

CAS

400750-09-6

Similarity

N/A

ID: 17243

3-(4-methoxyphenyl)benzaldehyde

$$$$ Data

M. F.

C14H12O2

Suppliers	Catalog Number
Matrix Scientific	019266
Apollo Scientific	OR7459

Database	Data ID
PubChem	1392871

M. W.

212.24388

CAS

118350-17-7

Similarity

N/A

ID: 17244

4-(3-fluorophenyl)benzaldehyde

$$$$ Data

M. F.

C13H9FO

Suppliers	Catalog Number
Matrix Scientific	019267
Apollo Scientific	PC11134

Database	Data ID
PubChem	1394261

M. W.

200.2083632

CAS

Similarity

N/A

ID: 17245

1-cyclopentyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
Matrix Scientific	019268

Database	Data ID
PubChem	3159702

M. W.

213.275

CAS

Similarity

N/A

ID: 17246

1-(4-acetylphenyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C13H11NO2

Suppliers	Catalog Number
Matrix Scientific	019269

Database	Data ID
PubChem	4617267

M. W.

213.23194

CAS

Similarity

N/A

ID: 17247

1-(pyridin-4-yl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
ChemBridge	4302044
Matrix Scientific	019270
InterBioScreen	BB_SC-4822

Database	Data ID
PubChem	3159703

M. W.

172.18332

CAS

842972-67-2

Similarity

N/A

ID: 17248

1-(3-methoxyphenyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Matrix Scientific	019271
InterBioScreen	BB_SC-5215

Database	Data ID
PubChem	702893

M. W.

201.22124

CAS

Similarity

N/A

ID: 17249

1-(3-fluorophenyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C11H8FNO

Suppliers	Catalog Number
Matrix Scientific	019272

Database	Data ID
PubChem	2772333

M. W.

189.1857232

CAS

383136-19-4

Similarity

N/A

ID: 17250

4-(1H-1,3-benzodiazol-1-yl)benzaldehyde

$$$$ Data

M. F.

C14H10N2O

Suppliers	Catalog Number
Matrix Scientific	019274
Key Organics	3T-0322

Database	Data ID
PubChem	737733

M. W.

222.242

CAS

90514-72-0

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