Chembase list of 866358 unique molecular structures

1,2,5-trimethyl-N-(1-phenylethyl)piperidin-4-amine

$$$$ Data

M. F.

C16H26N2

Suppliers	Catalog Number
Matrix Scientific	012237

Database	Data ID
PubChem	3154324

M. W.

246.39104

CAS

Similarity

N/A

ID: 14702

2-methyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C11H14N2O3

Suppliers	Catalog Number
Matrix Scientific	012238

Database	Data ID
PubChem	3154326

M. W.

222.24046

CAS

Similarity

N/A

ID: 14703

2-methyl-4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C8H11N3O3S

Suppliers	Catalog Number
Matrix Scientific	012239

Database	Data ID
PubChem	3154327

M. W.

229.25624

CAS

Similarity

N/A

ID: 14704

2-methyl-4-[(1,3-thiazol-2-yl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C9H12N2O3S

Suppliers	Catalog Number
Matrix Scientific	012240

Database	Data ID
PubChem	3154328

M. W.

228.26818

CAS

Similarity

N/A

ID: 14705

3-phenyl-4-[(pyridin-2-yl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C16H16N2O3

Suppliers	Catalog Number
Matrix Scientific	012241

Database	Data ID
PubChem	3154329

M. W.

284.30984

CAS

Similarity

N/A

ID: 14706

3-phenyl-4-[(1,3,4-thiadiazol-2-yl)carbamoyl]butanoic acid

$$$$ Data

M. F.

C13H13N3O3S

Suppliers	Catalog Number
Matrix Scientific	012242

Database	Data ID
PubChem	647148

M. W.

291.32562

CAS

Similarity

N/A

ID: 14707

[(2-chlorophenyl)methyl](pyridin-2-ylmethyl)amine

$$$$ Data

M. F.

C13H13ClN2

Suppliers	Catalog Number
Matrix Scientific	012243

Database	Data ID
PubChem	1085207

M. W.

232.70872

CAS

Similarity

N/A

ID: 14708

[(2-fluorophenyl)methyl](pyridin-2-ylmethyl)amine

$$$$ Data

M. F.

C13H13FN2

Suppliers	Catalog Number
Matrix Scientific	012244

Database	Data ID
PubChem	1085208

M. W.

216.2541232

CAS

Similarity

N/A

ID: 14709

[(2,3-dimethoxyphenyl)methyl](pyridin-2-ylmethyl)amine

$$$$ Data

M. F.

C15H18N2O2

Suppliers	Catalog Number
Matrix Scientific	012245

Database	Data ID
PubChem	871284

M. W.

258.31562

CAS

Similarity

N/A

ID: 14710

[(5-methylfuran-2-yl)methyl](pyridin-2-ylmethyl)amine

$$$$ Data

M. F.

C12H14N2O

Suppliers	Catalog Number
Matrix Scientific	012246

Database	Data ID
PubChem	1085209

M. W.

202.25236

CAS

Similarity

N/A

ID: 14711

dimethyl({2-[(1-methylpiperidin-4-yl)amino]ethyl})amine

$$$$ Data

M. F.

C10H23N3

Suppliers	Catalog Number
Matrix Scientific	012247
InterBioScreen	BB_SC-5033
Enamine	EN300-43520

Database	Data ID
PubChem	1085213

M. W.

185.30972

CAS

724757-63-5

Similarity

N/A

ID: 14712

dimethyl({3-[(1-methylpiperidin-4-yl)amino]propyl})amine

$$$$ Data

M. F.

C11H25N3

Suppliers	Catalog Number
Matrix Scientific	012248

Database	Data ID
PubChem	3154331

M. W.

199.3363

CAS

Similarity

N/A

ID: 14713

2-(oxolane-2-amido)benzoic acid

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Matrix Scientific	012249

Database	Data ID
PubChem	2942907

M. W.

235.23592

CAS

Similarity

N/A

ID: 14714

3-(5-methylfuran-2-yl)propanoic acid

$$$$ Data

M. F.

C8H10O3

Suppliers	Catalog Number
Matrix Scientific	012250
Enamine	EN300-97827

Database	Data ID
PubChem	675756

M. W.

154.1632

CAS

Similarity

N/A

ID: 14715

2-(3-cyano-2-methyl-1H-indol-1-yl)acetic acid

$$$$ Data

M. F.

C12H10N2O2

Suppliers	Catalog Number
ChemBridge	4009759
Matrix Scientific	012251

Database	Data ID
PubChem	653215

M. W.

214.22

CAS

531544-17-9

Similarity

N/A

ID: 14716

2-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

$$$$ Data

M. F.

C6H8ClN3OS

Suppliers	Catalog Number
ChemBridge	3015669
Matrix Scientific	012252
Enamine	EN300-04719

Database	Data ID
PubChem	582085

M. W.

205.66522

CAS

21521-90-4

Similarity

N/A

ID: 14717

8-methyl-4-(thiophen-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

$$$$ Data

M. F.

C16H17NOS

Suppliers	Catalog Number
Matrix Scientific	012253

Database	Data ID
PubChem	3154542

M. W.

271.37728

CAS

Similarity

N/A

ID: 14718

4-{8-methyl-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}pyridine

$$$$ Data

M. F.

C17H18N2O

Suppliers	Catalog Number
Matrix Scientific	012254

Database	Data ID
PubChem	3154543

M. W.

266.33762

CAS

Similarity

N/A

ID: 14719

2-({7-ethyl-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen...

$$$$ Data

M. F.

C12H12N4O2S

Suppliers	Catalog Number
Matrix Scientific	012255

Database	Data ID
PubChem	969967

M. W.

276.31428

CAS

Similarity

N/A

ID: 14720

4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.0^{1,5}]dec-8-ene-6-carbo...

$$$$ Data

M. F.

C14H17NO5

Suppliers	Catalog Number
Matrix Scientific	012256
InterBioScreen	BB_SC-1176 STOCK1N-31561

Database	Data ID
PubChem	2772043

M. W.

279.28848

CAS

Similarity

N/A

ID: 14721

4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	012257
Life Chemicals	F0921-1329

Database	Data ID
PubChem	680670

M. W.

233.2664

CAS

Similarity

N/A

ID: 14722

3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data More

M. F.

C11H10N2O2

Suppliers	Catalog Number
ChemBridge	4002891
Matrix Scientific	012258
Life Chemicals	F3250-0576

Database	Data ID
PubChem	818267

M. W.

202.2093

CAS

890007-12-2

Similarity

N/A

ID: 14723

3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data More

M. F.

C10H7ClN2O2

Suppliers	Catalog Number
Matrix Scientific	012259
Life Chemicals	F2130-0039
InterBioScreen	BB_SC-9291

Database	Data ID
PubChem	646303

M. W.

222.62778

CAS

890621-13-3

Similarity

N/A

ID: 14724

3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data More

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	012260
Life Chemicals	F1967-0144
InterBioScreen	BB_SC-1398

Database	Data ID
PubChem	649042

M. W.

248.23468

CAS

909857-88-1

Similarity

N/A

ID: 14725

2-(1H-1,3-benzodiazol-2-yl)acetic acid

$$$$ Data More

M. F.

C9H8N2O2

Suppliers	Catalog Number
ChemBridge	4400292
Matrix Scientific	012261
InterBioScreen	BB_SC-0700

Database	Data ID
PubChem	26117

M. W.

176.17202

CAS

13570-08-6

Similarity

N/A

ID: 14726

N-(4-amino-2-chlorophenyl)furan-2-carboxamide

$$$$ Data

M. F.

C11H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	012262
Enamine	EN300-52042

Database	Data ID
PubChem	721121

M. W.

236.65436

CAS

Similarity

N/A

ID: 14727

5-(1,3-benzothiazol-2-yl)-2-chloroaniline

$$$$ Data

M. F.

C13H9ClN2S

Suppliers	Catalog Number
Matrix Scientific	012263

Database	Data ID
PubChem	721017

M. W.

260.74196

CAS

Similarity

N/A

ID: 14728

3-(1,3-benzothiazol-2-yl)-4-chloroaniline

$$$$ Data

M. F.

C13H9ClN2S

Suppliers	Catalog Number
Matrix Scientific	012264
InterBioScreen	BB_SC-0509

Database	Data ID
PubChem	721022

M. W.

260.74196

CAS

Similarity

N/A

ID: 14729

4-amino-2-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenol

$$$$ Data

M. F.

C15H14N2O2

Suppliers	Catalog Number
Matrix Scientific	012265
InterBioScreen	BB_SC-4155

Database	Data ID
PubChem	5336682

M. W.

254.28386

CAS

292058-24-3

Similarity

N/A

ID: 14730

2-(pyrrolidin-1-yl)aniline

$$$$ Data More

M. F.

C10H14N2

Suppliers	Catalog Number
ChemBridge	4010392
Matrix Scientific	012266
Maybridge	CC44814

Database	Data ID
PubChem	937501

M. W.

162.23156

CAS

21627-58-7

Similarity

N/A

ID: 14731

2-(1,3-benzothiazol-2-yl)aniline

$$$$ Data

M. F.

C13H10N2S

Suppliers	Catalog Number
Sigma Aldrich	642428
Matrix Scientific	012267
Enamine	EN300-02529

Database	Data ID
PubChem	667680

M. W.

226.2969

CAS

29483-73-6

Similarity

N/A

ID: 14732

2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

$$$$ Data

M. F.

C13H18N2S

Suppliers	Catalog Number
Matrix Scientific	012268
Apollo Scientific	OR13378
Enamine	EN300-10306

Database	Data ID
PubChem	616417

M. W.

234.36042

CAS

42159-76-2

Similarity

N/A

ID: 14733

(2-phenylethyl)(pyridin-2-ylmethyl)amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
ChemBridge	5541310
Matrix Scientific	012269

Database	Data ID
PubChem	2063754

M. W.

212.29024

CAS

418776-49-5

Similarity

N/A

ID: 14734

(2-phenylethyl)(thiophen-2-ylmethyl)amine

$$$$ Data

M. F.

C13H15NS

Suppliers	Catalog Number
Matrix Scientific	012270
Enamine	EN300-11728

Database	Data ID
PubChem	2060827

M. W.

217.3299

CAS

Similarity

N/A

ID: 14735

(2-phenylethyl)(pyridin-3-ylmethyl)amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
ChemBridge	5546349
Matrix Scientific	012271
Enamine	EN300-52095

Database	Data ID
PubChem	201619

M. W.

212.29024

CAS

16562-17-7

Similarity

N/A

ID: 14736

(furan-2-ylmethyl)(2-phenylethyl)amine

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
ChemBridge	5575572
Matrix Scientific	012272

Database	Data ID
PubChem	1615809

M. W.

201.2643

CAS

4439-55-8

Similarity

N/A

ID: 14737

1-methyl-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C8H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	012273
InterBioScreen	BB_SC-5107

Database	Data ID
PubChem	12256170

M. W.

220.09904

CAS

Similarity

N/A

ID: 14738

1,2-dimethyl-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C9H13Cl2N3

Suppliers	Catalog Number
Matrix Scientific	012274

Database	Data ID
PubChem	44630885

M. W.

234.12562

CAS

Similarity

N/A

ID: 14739

(5-amino-1-methyl-1H-1,3-benzodiazol-2-yl)methanol dihydrochloride

$$$$ Data

M. F.

C9H13Cl2N3O

Suppliers	Catalog Number
Matrix Scientific	012275
InterBioScreen	BB_SC-5212

Database	Data ID
PubChem	44890748

M. W.

250.12502

CAS

Similarity

N/A

ID: 14740

1-(5-amino-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-ol dihydrochloride

$$$$ Data

M. F.

C10H15Cl2N3O

Suppliers	Catalog Number
Matrix Scientific	012276

Database	Data ID
PubChem	44890747

M. W.

264.1516

CAS

Similarity

N/A

ID: 14741

2-(4-methoxybenzenesulfonamido)acetic acid

$$$$ Data

M. F.

C9H11NO5S

Suppliers	Catalog Number
Matrix Scientific	012278
Life Chemicals	F1414-0619
Enamine	EN300-08317

Database	Data ID
PubChem	705710

M. W.

245.25234

CAS

13029-74-8

Similarity

N/A

ID: 14742

2-(4-methoxybenzenesulfonamido)propanoic acid

$$$$ Data

M. F.

C10H13NO5S

Suppliers	Catalog Number
Matrix Scientific	012279
Key Organics	10G-353S
Enamine	EN300-08320

Database	Data ID
PubChem	362748

M. W.

259.27892

CAS

59724-73-1

Similarity

N/A

ID: 14743

2-(4-fluorobenzenesulfonamido)propanoic acid

$$$$ Data More

M. F.

C9H10FNO4S

Suppliers	Catalog Number
Matrix Scientific	012280
Key Organics	12G-417S
Apollo Scientific	PC9378

Database	Data ID
PubChem	2774751

M. W.

247.2434032

CAS

780-97-2

Similarity

N/A

ID: 14744

2,5,7-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),6,8,10-tetrae...

$$$$ Data More

M. F.

C9H9N3

Suppliers	Catalog Number
Matrix Scientific	012281
Life Chemicals	F0451-0657
InterBioScreen	BB_SC-1555

Database	Data ID
PubChem	5403481

M. W.

159.18786

CAS

24134-26-7

Similarity

N/A

ID: 14745

3a,8a-dimethyl-2H,3H,3aH,8H,8aH-furo[2,3-b]indole

$$$$ Data

M. F.

C12H15NO

Suppliers	Catalog Number
Matrix Scientific	012282

Database	Data ID
PubChem	3155064

M. W.

189.2536

CAS

Similarity

N/A

ID: 14746

1-[(4-methoxyphenyl)methyl]-decahydroisoquinolin-4a-ol

$$$$ Data

M. F.

C17H25NO2

Suppliers	Catalog Number
Matrix Scientific	012284

Database	Data ID
PubChem	655005

M. W.

275.3859

CAS

Similarity

N/A

ID: 14747

3-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,5,8,10-pentaen-3-yls...

$$$$ Data

M. F.

C11H9N3O2S2

Suppliers	Catalog Number
Matrix Scientific	012285

Database	Data ID
PubChem	1086718

M. W.

279.33806

CAS

Similarity

N/A

ID: 14748

[(2,3-dichlorophenyl)methyl][3-(propan-2-yloxy)propyl]amine

$$$$ Data

M. F.

C13H19Cl2NO

Suppliers	Catalog Number
Matrix Scientific	012286

Database	Data ID
PubChem	3155072

M. W.

276.20206

CAS

Similarity

N/A

ID: 14749

[3-(propan-2-yloxy)propyl](pyridin-3-ylmethyl)amine

$$$$ Data

M. F.

C12H20N2O

Suppliers	Catalog Number
Matrix Scientific	012287

Database	Data ID
PubChem	3155074

M. W.

208.3

CAS

Similarity

N/A

ID: 14750

[3-(propan-2-yloxy)propyl](pyridin-4-ylmethyl)amine

$$$$ Data

M. F.

C12H20N2O

Suppliers	Catalog Number
Matrix Scientific	012288

Database	Data ID
PubChem	3155075

M. W.

208.3

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