Chembase list of 866358 unique molecular structures

5-chloro-2-methyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C10H8ClNO

Suppliers	Catalog Number
Matrix Scientific	019114
Enamine	EN300-116135

Database	Data ID
PubChem	3159595

M. W.

193.62962

CAS

57335-86-1

Similarity

N/A

ID: 17102

5-ethoxy-1-methyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
Matrix Scientific	019115

Database	Data ID
PubChem	3159596

M. W.

219.23652

CAS

Similarity

N/A

ID: 17103

2-ethyl-3-methyl-1H-indole-5-carboxylic acid

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Matrix Scientific	019116

Database	Data ID
PubChem	3159597

M. W.

203.23712

CAS

Similarity

N/A

ID: 17104

3-methyl-1-benzofuran-2-carbaldehyde

$$$$ Data

M. F.

C10H8O2

Suppliers	Catalog Number
ChemBridge	4002706
Matrix Scientific	019117

Database	Data ID
PubChem	136938

M. W.

160.16932

CAS

1199-07-1

Similarity

N/A

ID: 17105

1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
ChemBridge	4003107
Matrix Scientific	019118

Database	Data ID
PubChem	3159598

M. W.

150.22086

CAS

118959-62-9

Similarity

N/A

ID: 17106

1-ethyl-6-methyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Matrix Scientific	019119

Database	Data ID
PubChem	3159599

M. W.

164.24744

CAS

Similarity

N/A

ID: 17107

1-amino-3-(4-chloro-3-methylphenoxy)propan-2-ol

$$$$ Data

M. F.

C10H14ClNO2

Suppliers	Catalog Number
ChemBridge	4003208
Matrix Scientific	019120
Life Chemicals	F1580-0018

Database	Data ID
PubChem	3387132

M. W.

215.67666

CAS

71954-32-0

Similarity

N/A

ID: 17108

5-propylthiophene-2-carbaldehyde

$$$$ Data

M. F.

C8H10OS

Suppliers	Catalog Number
Matrix Scientific	019121
Enamine	EN300-92256

Database	Data ID
PubChem	3159601

M. W.

154.2294

CAS

Similarity

N/A

ID: 17109

1-(6-methylpyridin-2-yl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Matrix Scientific	019122

Database	Data ID
PubChem	2772328

M. W.

186.2099

CAS

383136-25-2

Similarity

N/A

ID: 17110

[2-amino-1-(2H-1,3-benzodioxol-5-yl)ethyl]dimethylamine

$$$$ Data

M. F.

C11H16N2O2

Suppliers	Catalog Number
Matrix Scientific	019123

Database	Data ID
PubChem	22692372

M. W.

208.25694

CAS

Similarity

N/A

ID: 17111

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetic acid

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
ChemBridge	4003441
Matrix Scientific	019124

Database	Data ID
PubChem	1514441

M. W.

191.22642

CAS

731810-79-0

Similarity

N/A

ID: 17112

3-amino-4-(1H-imidazol-1-yl)benzoic acid

$$$$ Data

M. F.

C10H9N3O2

Suppliers	Catalog Number
Matrix Scientific	019125

Database	Data ID
PubChem	3159604

M. W.

203.19736

CAS

Similarity

N/A

ID: 17113

5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H9FN2S

Suppliers	Catalog Number
ChemBridge	4003563
Matrix Scientific	019126
Enamine	EN300-36692

Database	Data ID
PubChem	3387135

M. W.

208.2552632

CAS

876715-72-9

Similarity

N/A

ID: 17114

8-chloroquinoline-2-carbaldehyde

$$$$ Data

M. F.

C10H6ClNO

Suppliers	Catalog Number
ChemBridge	4003793
Matrix Scientific	019127
InterBioScreen	BB_SC-2023

Database	Data ID
PubChem	1548874

M. W.

191.61374

CAS

59394-28-4

Similarity

N/A

ID: 17115

methyl[(1-methylpyrrolidin-3-yl)methyl]amine dihydrochloride

$$$$ Data

M. F.

C7H18Cl2N2

Suppliers	Catalog Number
Matrix Scientific	019128

Database	Data ID
PubChem	45075167

M. W.

201.13722

CAS

Similarity

N/A

ID: 17116

3-(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)propanoic acid

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
ChemBridge	4003827
Matrix Scientific	019129
InterBioScreen	BB_SC-8580

Database	Data ID
PubChem	3159606

M. W.

218.25176

CAS

173737-04-7

Similarity

N/A

ID: 17117

1-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data More

M. F.

C10H7FN2O

Suppliers	Catalog Number
ChemBridge	4003859
Alfa Aesar	H50307
Matrix Scientific	019130

Database	Data ID
PubChem	3159607

M. W.

190.1737832

CAS

890652-03-6

Similarity

N/A

ID: 17118

7-methoxy-2-methylquinoline-3-carboxylic acid

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Matrix Scientific	019131
Enamine	EN300-07177
A&J Pharmtech	AJA-O34404

Database	Data ID
PubChem	818248

M. W.

217.22064

CAS

470702-34-2

Similarity

N/A

ID: 17119

2-(oxolan-2-ylmethoxy)benzaldehyde

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Matrix Scientific	019132
Enamine	EN300-97363

Database	Data ID
PubChem	6484130

M. W.

206.23776

CAS

Similarity

N/A

ID: 17120

2-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
ChemBridge	4004159
Matrix Scientific	019133

Database	Data ID
PubChem	3159608

M. W.

205.20994

CAS

21591-75-3

Similarity

N/A

ID: 17121

1-methyl-3-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data More

M. F.

C9H14N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00448
ChemBridge	4004174
Matrix Scientific	019134

Database	Data ID
PubChem	3159609

M. W.

182.21966

CAS

769132-77-6

Similarity

N/A

ID: 17122

2-(oxan-2-yl)acetic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
Matrix Scientific	019136
Enamine	EN300-104135

Database	Data ID
PubChem	3159611

M. W.

144.16838

CAS

13103-40-7

Similarity

N/A

ID: 17123

3,4,7-trimethyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
ChemBridge	4004393
Matrix Scientific	019137

Database	Data ID
PubChem	3159612

M. W.

203.23712

CAS

876715-79-6

Similarity

N/A

ID: 17124

3,5,7-trimethyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00456
ChemBridge	4004394
Matrix Scientific	019138

Database	Data ID
PubChem	3159613

M. W.

203.23712

CAS

876715-82-1

Similarity

N/A

ID: 17125

1-(thiophen-2-yl)propan-2-amine

$$$$ Data More

M. F.

C7H11NS

Suppliers	Catalog Number
ChemBridge	4004397
Matrix Scientific	019139
Life Chemicals	F2189-0008

Database	Data ID
Wikipedia	Thiopropamine
PubChem	6484133

M. W.

141.23394

CAS

30433-93-3

Similarity

N/A

ID: 17126

3-(3-methoxyphenoxymethyl)piperidine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
ChemBridge	4004504
Matrix Scientific	019140

Database	Data ID
PubChem	6484137

M. W.

221.29546

CAS

405062-73-9

Similarity

N/A

ID: 17127

3-(4-methoxyphenoxymethyl)piperidine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
ChemBridge	4004505
Matrix Scientific	019141

Database	Data ID
PubChem	6484138

M. W.

221.29546

CAS

405060-20-0

Similarity

N/A

ID: 17128

2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
ChemBridge	4004564
Matrix Scientific	019142
Enamine	EN300-26636

Database	Data ID
PubChem	6484139

M. W.

187.24102

CAS

369652-04-0

Similarity

N/A

ID: 17129

3-(pyridin-2-yl)propan-1-amine dihydrochloride

$$$$ Data

M. F.

C8H14Cl2N2

Suppliers	Catalog Number
Matrix Scientific	019143

Database	Data ID
PubChem	46735528

M. W.

209.11616

CAS

Similarity

N/A

ID: 17130

3-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)propanoic acid

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
Matrix Scientific	019144
Life Chemicals	F1994-0017 F2101-0058

Database	Data ID
PubChem	861959

M. W.

218.25176

CAS

Similarity

N/A

ID: 17131

5-methyl-2-(1H-pyrrol-1-yl)thiophene-3-carboxylic acid

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Matrix Scientific	019145
Life Chemicals	F2117-0010
Enamine	EN300-92591

Database	Data ID
PubChem	2748348

M. W.

207.24896

CAS

151258-67-2

Similarity

N/A

ID: 17132

2-(4-methylpiperazin-1-yl)-2-phenylethan-1-amine trihydrochloride

$$$$ Data

M. F.

C13H24Cl3N3

Suppliers	Catalog Number
Matrix Scientific	019146

Database	Data ID
PubChem	45075168

M. W.

328.70876

CAS

Similarity

N/A

ID: 17133

1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C10H7FN2O2

Suppliers	Catalog Number
Matrix Scientific	019147

Database	Data ID
PubChem	3159617

M. W.

206.1731832

CAS

138907-81-0

Similarity

N/A

ID: 17134

3-methyl-5H,6H-imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

$$$$ Data

M. F.

C7H8N2O2S

Suppliers	Catalog Number
ChemBridge	4004837
Matrix Scientific	019148
InterBioScreen	BB_SC-10420

Database	Data ID
PubChem	3159618

M. W.

184.21562

CAS

762178-13-2

Similarity

N/A

ID: 17135

3-(5-chloro-1H-1,3-benzodiazol-2-yl)propanoic acid

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	019149
Life Chemicals	F3306-0006
InterBioScreen	BB_SC-8474

Database	Data ID
PubChem	6484140

M. W.

224.64366

CAS

82138-56-5

Similarity

N/A

ID: 17136

1-methyl-1H-pyrazole-4-carboxylic acid

$$$$ Data More

M. F.

C5H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	682063
ChemBridge	4005269
Matrix Scientific	019150

Database	Data ID
PubChem	643160

M. W.

126.11334

CAS

16034-46-1

Similarity

N/A

ID: 17137

1-[(2-chlorophenyl)methyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C13H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	019151

Database	Data ID
PubChem	3159619

M. W.

253.72464

CAS

Similarity

N/A

ID: 17138

1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C13H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	019152

Database	Data ID
PubChem	3159620

M. W.

253.72464

CAS

733798-69-1

Similarity

N/A

ID: 17139

1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C12H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	019153
InterBioScreen	BB_SC-7613
Enamine	EN300-30420

Database	Data ID
PubChem	3159621

M. W.

239.69806

CAS

Similarity

N/A

ID: 17140

1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C13H16FNO2

Suppliers	Catalog Number
Matrix Scientific	019154

Database	Data ID
PubChem	4641825

M. W.

237.2700432

CAS

193538-25-9

Similarity

N/A

ID: 17141

1-(1,3-benzothiazol-2-yl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C12H8N2OS

Suppliers	Catalog Number
Matrix Scientific	019155

Database	Data ID
PubChem	3159622

M. W.

228.26972

CAS

Similarity

N/A

ID: 17142

1-[2-(pyridin-2-yl)ethyl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Matrix Scientific	019156

Database	Data ID
PubChem	3159623

M. W.

234.29422

CAS

Similarity

N/A

ID: 17143

4-(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)butanoic acid

$$$$ Data

M. F.

C13H16N2O2

Suppliers	Catalog Number
Matrix Scientific	019157
InterBioScreen	BB_SC-8579

Database	Data ID
PubChem	3159624

M. W.

232.27834

CAS

Similarity

N/A

ID: 17144

2,2-bis(thiophen-2-yl)acetic acid

$$$$ Data

M. F.

C10H8O2S2

Suppliers	Catalog Number
Matrix Scientific	019158
Enamine	EN300-92753

Database	Data ID
PubChem	20443

M. W.

224.29932

CAS

Similarity

N/A

ID: 17145

4-(pyridin-4-yl)butanoic acid

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Matrix Scientific	019159

Database	Data ID
PubChem	3159625

M. W.

165.18914

CAS

102878-73-9

Similarity

N/A

ID: 17146

2-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-yl)acetic acid

$$$$ Data

M. F.

C13H16O4

Suppliers	Catalog Number
Matrix Scientific	019160
InterBioScreen	STOCK1N-27339

Database	Data ID
PubChem	539586

M. W.

236.26374

CAS

Similarity

N/A

ID: 17147

6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
Matrix Scientific	019161

Database	Data ID
PubChem	2982808

M. W.

219.19676

CAS

Similarity

N/A

ID: 17148

6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

$$$$ Data

M. F.

C10H9N3O3

Suppliers	Catalog Number
ChemBridge	3002105
Matrix Scientific	019162

Database	Data ID
PubChem	2981519

M. W.

219.19676

CAS

774183-58-3

Similarity

N/A

ID: 17149

2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid

$$$$ Data

M. F.

C12H10ClNO2S

Suppliers	Catalog Number
Matrix Scientific	019163

Database	Data ID
PubChem	3159627

M. W.

267.7313

CAS

553630-41-4

Similarity

N/A

ID: 17150

2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid

$$$$ Data

M. F.

C12H10FNO2S

Suppliers	Catalog Number
Matrix Scientific	019164

Database	Data ID
PubChem	2384553

M. W.

251.2767032

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