Chembase list of 866358 unique molecular structures

1-(6-oxo-1,6-dihydropyridazin-3-yl)piperidine-3-carboxylic acid

$$$$ Data

M. F.

C10H13N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10716

Database	Data ID
PubChem	60177649

M. W.

223.22852

CAS

Similarity

N/A

ID: 121202

5-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)pentan-1-amine dihydrochloride

$$$$ Data

M. F.

C13H20Cl3N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10717

Database	Data ID
PubChem	71308072

M. W.

324.677

CAS

Similarity

N/A

ID: 121203

2-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C10H14Cl3N3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10718
Enamine	EN300-99202

Database	Data ID
PubChem	71308073

M. W.

282.59726

CAS

Similarity

N/A

ID: 121204

5-phenyl-1,3-oxazole-2-carboxylic acid

$$$$ Data

M. F.

C10H7NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10719

Database	Data ID
PubChem	13725256

M. W.

189.16748

CAS

Similarity

N/A

ID: 121205

2-[3-methyl-5-(thiophen-2-yl)-1,2-oxazol-4-yl]acetic acid

$$$$ Data

M. F.

C10H9NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-10720

Database	Data ID
PubChem	60178789

M. W.

223.24836

CAS

Similarity

N/A

ID: 121206

2-[3-methyl-5-(thiophen-2-yl)-1H-pyrazol-4-yl]acetic acid

$$$$ Data

M. F.

C10H10N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-10721

Database	Data ID
PubChem	60176860

M. W.

222.2636

CAS

Similarity

N/A

ID: 121207

4,5,6-trifluoro-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data

M. F.

C8H2F3NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10726
A&J Pharmtech	AJA-O22166

Database	Data ID
PubChem	46835392

M. W.

201.1021896

CAS

749240-64-0

Similarity

N/A

ID: 121208

3-(2,3-dioxo-2,3-dihydro-1H-indol-5-yl)propanoic acid

$$$$ Data

M. F.

C11H9NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-10728 STOCK1N-78584

Database	Data ID
PubChem	71308074

M. W.

219.19346

CAS

Similarity

N/A

ID: 121209

3-amino-5-fluoro-2,3-dihydro-1H-indol-2-one hydrochloride

$$$$ Data

M. F.

C8H8ClFN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10729

Database	Data ID
PubChem	45595298

M. W.

202.6133232

CAS

Similarity

N/A

ID: 121210

methyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-10730

Database	Data ID
PubChem	286517

M. W.

231.20416

CAS

Similarity

N/A

ID: 121211

1-(2,1,3-benzoxadiazol-4-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H5N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10733

Database	Data ID
PubChem	60177209

M. W.

215.165

CAS

Similarity

N/A

ID: 121212

1-(6-methoxypyridin-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10735
Enamine	EN300-70096

Database	Data ID
PubChem	28502491

M. W.

204.18212

CAS

Similarity

N/A

ID: 121213

1-[6-(trifluoromethyl)pyridin-3-yl]-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H5F3N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10736

Database	Data ID
PubChem	60177479

M. W.

242.1541096

CAS

Similarity

N/A

ID: 121214

1-(2,3-difluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H5F2NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10738

Database	Data ID
PubChem	19076720

M. W.

209.1490064

CAS

Similarity

N/A

ID: 121215

methyl 3-(5-hydroxy-1H-1,2,4-triazol-3-yl)propanoate

$$$$ Data

M. F.

C6H9N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10739

Database	Data ID
PubChem	60177510

M. W.

171.15396

CAS

Similarity

N/A

ID: 121216

(2Z)-3-(5-bromo-1H-1,2,4-triazol-3-yl)prop-2-enoic acid

$$$$ Data

M. F.

C5H4BrN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10740

Database	Data ID
PubChem	71308075

M. W.

218.00816

CAS

Similarity

N/A

ID: 121217

5-(azepane-1-carbonyl)-2-chloroaniline hydrochloride

$$$$ Data

M. F.

C13H18Cl2N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10742

Database	Data ID
PubChem	71308076

M. W.

289.20082

CAS

Similarity

N/A

ID: 121218

3-(azepane-1-carbonyl)-4-chloroaniline

$$$$ Data

M. F.

C13H17ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10743

Database	Data ID
PubChem	16776334

M. W.

252.73988

CAS

Similarity

N/A

ID: 121219

5-(azepane-1-carbonyl)-2-fluoroaniline

$$$$ Data

M. F.

C13H17FN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10744

Database	Data ID
PubChem	43436879

M. W.

236.2852832

CAS

Similarity

N/A

ID: 121220

4-fluoro-3-(pyrrolidine-1-carbonyl)aniline

$$$$ Data

M. F.

C11H13FN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10745

Database	Data ID
PubChem	43510666

M. W.

208.2321232

CAS

Similarity

N/A

ID: 121221

3-({4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-yl}carbamoyl)propanoic acid

$$$$ Data

M. F.

C12H16N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-10747

Database	Data ID
PubChem	60179770

M. W.

268.33204

CAS

Similarity

N/A

ID: 121222

3-{[4-(pyridin-4-yl)-1,3-thiazol-2-yl]carbamoyl}propanoic acid

$$$$ Data

M. F.

C12H11N3O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-10748

Database	Data ID
PubChem	60176556

M. W.

277.29904

CAS

Similarity

N/A

ID: 121223

5-methoxy-1-(2-methoxyethyl)-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10749 STOCK1N-78996

Database	Data ID
PubChem	71308077

M. W.

233.2631

CAS

Similarity

N/A

ID: 121224

2-chloro-6-hydrazinyl-9H-purine

$$$$ Data

M. F.

C5H5ClN6

Suppliers	Catalog Number
InterBioScreen	BB_SC-10750

Database	Data ID
PubChem	521485

M. W.

184.5864

CAS

Similarity

N/A

ID: 121225

2-[2-chloro-6-(thiomorpholin-4-yl)-9H-purin-9-yl]acetic acid

$$$$ Data

M. F.

C11H12ClN5O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-10752

Database	Data ID
PubChem	60178338

M. W.

313.76328

CAS

Similarity

N/A

ID: 121226

2-[2-chloro-6-(piperidin-1-yl)-9H-purin-9-yl]acetic acid

$$$$ Data

M. F.

C12H14ClN5O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10753

Database	Data ID
PubChem	60179552

M. W.

295.72486

CAS

Similarity

N/A

ID: 121227

methyl (2S)-2-[(cyclopropylcarbamoyl)amino]-3-phenylpropanoate

$$$$ Data

M. F.

C14H18N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10756

Database	Data ID
PubChem	943760

M. W.

262.30432

CAS

Similarity

N/A

ID: 121228

(2S)-2-[(cyclopropylcarbamoyl)amino]-3-phenylpropanoic acid

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10757

Database	Data ID
PubChem	943654

M. W.

248.27774

CAS

Similarity

N/A

ID: 121229

(2S)-2-[(tert-butylcarbamoyl)amino]-3-phenylpropanoic acid

$$$$ Data

M. F.

C14H20N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10758

Database	Data ID
PubChem	14796014

M. W.

264.3202

CAS

Similarity

N/A

ID: 121230

4-[(cyclopropylcarbamoyl)amino]benzoic acid

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10759
Enamine	EN300-38850

Database	Data ID
PubChem	39732852

M. W.

220.22458

CAS

Similarity

N/A

ID: 121231

N-(2-aminoethyl)acetamide

$$$$ Data More

M. F.

C4H10N2O

Suppliers	Catalog Number
Sigma Aldrich	397261 00911
Alfa Aesar	L13398
InterBioScreen	BB_SC-10762

Database	Data ID
PubChem	66082

M. W.

102.135

CAS

1001-53-2

Similarity

N/A

ID: 121232

N-(1,1-dioxo-1λ⁶-thiolan-3-yl)-2-(methylamino)acetamide

$$$$ Data

M. F.

C7H14N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-10763

Database	Data ID
PubChem	24690088

M. W.

206.26266

CAS

Similarity

N/A

ID: 121233

2-(1,4-diazepan-1-yl)-N,N-dimethylacetamide

$$$$ Data

M. F.

C9H19N3O

Suppliers	Catalog Number
ChemBridge	4014918
InterBioScreen	BB_SC-10765
Enamine	EN300-30789

Database	Data ID
PubChem	16775183

M. W.

185.26666

CAS

Similarity

N/A

ID: 121234

5-oxo-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C10H8N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10766
Enamine	EN300-111119

Database	Data ID
PubChem	23008723

M. W.

204.18212

CAS

Similarity

N/A

ID: 121235

3-(3-methylbutyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10767

Database	Data ID
PubChem	11845653

M. W.

182.21966

CAS

Similarity

N/A

ID: 121236

methyl 3-(3-methylbutyl)-1H-pyrazole-5-carboxylate

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10768

Database	Data ID
PubChem	71308078

M. W.

196.24624

CAS

Similarity

N/A

ID: 121237

methyl 4-bromo-3-(3-methylbutyl)-1H-pyrazole-5-carboxylate

$$$$ Data

M. F.

C10H15BrN2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10769

Database	Data ID
PubChem	60176174

M. W.

275.1423

CAS

Similarity

N/A

ID: 121238

1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10770
Enamine	EN300-43374

Database	Data ID
PubChem	24219840

M. W.

148.16192

CAS

Similarity

N/A

ID: 121239

3-{8-hydroxy-6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanoic acid

$$$$ Data

M. F.

C9H10N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10771

Database	Data ID
PubChem	60180390

M. W.

222.2007

CAS

Similarity

N/A

ID: 121240

3-bromo-2-(2-methylpropyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

$$$$ Data

M. F.

C9H11BrN4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10772

Database	Data ID
PubChem	60175338

M. W.

271.11384

CAS

Similarity

N/A

ID: 121241

4-(2-methylpropyl)-3-oxo-1H,2H,3H-pyrazolo[3,4-b]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C11H13N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10775

Database	Data ID
PubChem	60176213

M. W.

235.23922

CAS

Similarity

N/A

ID: 121242

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

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00577
ChemBridge	4004176
InterBioScreen	BB_SC-10776

Database	Data ID
PubChem	24728972

M. W.

196.24624

CAS

1015845-75-6

Similarity

N/A

ID: 121243

1-benzoylpiperazine hydrochloride

$$$$ Data

M. F.

C11H15ClN2O

Suppliers	Catalog Number
Sigma Aldrich	592714
InterBioScreen	BB_SC-10777
Enamine	EN300-08796

Database	Data ID
PubChem	12203351

M. W.

226.7026

CAS

56227-55-5

Similarity

N/A

ID: 121244

1,8,10,12-tetraazatricyclo[7.3.0.0³,⁷]dodeca-2,7,9,11-tetr...

$$$$ Data

M. F.

C8H9N5

Suppliers	Catalog Number
InterBioScreen	BB_SC-10779

Database	Data ID
PubChem	8741413

M. W.

175.19056

CAS

Similarity

N/A

ID: 121245

2-amino-4-chloro-N-(pyridin-3-yl)benzamide

$$$$ Data

M. F.

C12H10ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10781

Database	Data ID
PubChem	16776825

M. W.

247.6803

CAS

Similarity

N/A

ID: 121246

5-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

$$$$ Data

M. F.

C11H16FN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10782

Database	Data ID
PubChem	43510684

M. W.

225.2626432

CAS

Similarity

N/A

ID: 121247

1-(4-amino-2-chlorobenzoyl)imidazolidin-2-one

$$$$ Data

M. F.

C10H10ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-10783

Database	Data ID
PubChem	60176202

M. W.

239.6583

CAS

Similarity

N/A

ID: 121248

2-{methyl[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]amino}acetic acid

$$$$ Data

M. F.

C12H13N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-10785

Database	Data ID
PubChem	43386043

M. W.

247.24992

CAS

Similarity

N/A

ID: 121249

N-(3-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide

$$$$ Data

M. F.

C13H20N4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-10786

Database	Data ID
PubChem	16779323

M. W.

248.3241

CAS

Similarity

N/A

ID: 121250

3-amino-4-fluoro-N-methylbenzamide

$$$$ Data

M. F.

C8H9FN2O

Suppliers	Catalog Number
ChemBridge	4034187
InterBioScreen	BB_SC-10787

Database	Data ID
PubChem	25239181

M. W.

168.1682632

CAS

639858-50-7

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