Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H15N3O3

Suppliers	Catalog Number
Matrix Scientific	048164
Key Organics	NB-0700

Database	Data ID
PubChem	3967409

M. W.

237.2551

CAS

Similarity

N/A

ID: 44702

6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carbonitrile

$$$$ Data

M. F.

C12H16N4O

Suppliers	Catalog Number
Matrix Scientific	048166
Key Organics	NB-0702

Database	Data ID
PubChem	25918955

M. W.

232.28164

CAS

Similarity

N/A

ID: 44703

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxylic acid

$$$$ Data

M. F.

C15H15ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	048167
Key Organics	NB-0704

Database	Data ID
PubChem	748383

M. W.

322.8098

CAS

Similarity

N/A

ID: 44704

3-methoxy-N-methyl-4-nitroaniline

$$$$ Data

M. F.

C8H10N2O3

Suppliers	Catalog Number
Matrix Scientific	048168
Key Organics	NB-0705

Database	Data ID
PubChem	21521281

M. W.

182.1766

CAS

Similarity

N/A

ID: 44705

3-methoxy-N,N-dimethyl-4-nitroaniline

$$$$ Data

M. F.

C9H12N2O3

Suppliers	Catalog Number
Matrix Scientific	048169
Key Organics	NB-0707

Database	Data ID
PubChem	5251548

M. W.

196.20318

CAS

14703-82-3

Similarity

N/A

ID: 44706

4-(3-methoxy-4-nitrophenyl)morpholine

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Matrix Scientific	048170
Key Organics	NB-0708

Database	Data ID
PubChem	81388

M. W.

238.23986

CAS

6950-88-5

Similarity

N/A

ID: 44707

5-bromo-4-phenyl-1,3-thiazol-2-amine hydrobromide

$$$$ Data

M. F.

C9H8Br2N2S

Suppliers	Catalog Number
Matrix Scientific	048171
Key Organics	NB-0710

Database	Data ID
PubChem	43811210

M. W.

336.04622

CAS

113511-22-1

Similarity

N/A

ID: 44708

methyl 5-bromo-2-(morpholin-4-yl)pyridine-3-carboxylate

$$$$ Data

M. F.

C11H13BrN2O3

Suppliers	Catalog Number
Matrix Scientific	048172
Key Organics	NB-0711

Database	Data ID
PubChem	25918840

M. W.

301.13652

CAS

Similarity

N/A

ID: 44709

methyl 5-bromo-2-(piperidin-1-yl)pyridine-3-carboxylate

$$$$ Data

M. F.

C12H15BrN2O2

Suppliers	Catalog Number
Matrix Scientific	048173
Key Organics	NB-0712

Database	Data ID
PubChem	25918838

M. W.

299.1637

CAS

Similarity

N/A

ID: 44710

5-bromo-2-(morpholin-4-yl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C10H11BrN2O3

Suppliers	Catalog Number
Matrix Scientific	048174
Key Organics	NB-0713

Database	Data ID
PubChem	25918916

M. W.

287.10994

CAS

Similarity

N/A

ID: 44711

5-bromo-2-(piperidin-1-yl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C11H13BrN2O2

Suppliers	Catalog Number
Matrix Scientific	048175
Key Organics	NB-0717

Database	Data ID
PubChem	25918914

M. W.

285.13712

CAS

Similarity

N/A

ID: 44712

6-chloro-N,N,2-trimethylpyrimidin-4-amine

$$$$ Data

M. F.

C7H10ClN3

Suppliers	Catalog Number
Matrix Scientific	048176
Key Organics	NB-0718
Bide Pharmatech	BD108969

Database	Data ID
PubChem	40787015

M. W.

171.6274

CAS

58514-89-9

Similarity

N/A

ID: 44713

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C7H10ClN3O

Suppliers	Catalog Number
Matrix Scientific	048177
Key Organics	NB-0720

Database	Data ID
PubChem	25918906

M. W.

187.6268

CAS

22177-97-5

Similarity

N/A

ID: 44714

N-benzyl-6-chloro-2-methylpyrimidin-4-amine

$$$$ Data

M. F.

C12H12ClN3

Suppliers	Catalog Number
Matrix Scientific	048178
Key Organics	NB-0721

Database	Data ID
PubChem	25918907

M. W.

233.69678

CAS

Similarity

N/A

ID: 44715

1-[4-(chloromethyl)phenyl]-1H-1,2,4-triazole

$$$$ Data

M. F.

C9H8ClN3

Suppliers	Catalog Number
Matrix Scientific	048179
Key Organics	NB-0800

Database	Data ID
PubChem	25918938

M. W.

193.63292

CAS

143426-53-3

Similarity

N/A

ID: 44716

methyl 4-(1,3-thiazolidin-2-yl)benzoate

$$$$ Data

M. F.

C11H13NO2S

Suppliers	Catalog Number
Matrix Scientific	048180
Key Organics	NB-0802

Database	Data ID
PubChem	43811211

M. W.

223.29142

CAS

Similarity

N/A

ID: 44717

[2-(morpholin-4-yl)-5-nitrophenyl]methanol

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Matrix Scientific	048181
Key Organics	NB-0803

Database	Data ID
PubChem	2727950

M. W.

238.23986

CAS

Similarity

N/A

ID: 44718

(2-amino-5-bromophenyl)methanol

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Matrix Scientific	048182
Key Organics	NB-0807
Bide Pharmatech	BD44067

Database	Data ID
PubChem	11030874

M. W.

202.04852

CAS

226713-43-5

Similarity

N/A

ID: 44719

6-bromo-2,4-dihydro-1H-3,1-benzoxazin-2-one

$$$$ Data

M. F.

C8H6BrNO2

Suppliers	Catalog Number
Matrix Scientific	048183
Key Organics	NB-0808

Database	Data ID
PubChem	25918963

M. W.

228.04274

CAS

1017783-09-3

Similarity

N/A

ID: 44720

2-[2-(methylsulfanyl)phenoxy]acetic acid

$$$$ Data

M. F.

C9H10O3S

Suppliers	Catalog Number
Matrix Scientific	048184
Key Organics	NB-0810

Database	Data ID
PubChem	20086037

M. W.

198.2389

CAS

3395-40-2

Similarity

N/A

ID: 44721

2-(2-chloroethyl)pyridine

$$$$ Data

M. F.

C7H8ClN

Suppliers	Catalog Number
Matrix Scientific	048185
Key Organics	NB-0813

Database	Data ID
PubChem	199468

M. W.

141.59812

CAS

16927-00-7

Similarity

N/A

ID: 44722

3,5-dibromo-4-nitro-1H-pyrazole

$$$$ Data More

M. F.

C3HBr2N3O2

Suppliers	Catalog Number
Matrix Scientific	048187
Key Organics	NB-0819
Bide Pharmatech	BD82430

Database	Data ID
PubChem	13707994

M. W.

270.86694

CAS

104599-36-2

Similarity

N/A

ID: 44723

1-benzyl-3,5-dibromo-4-nitro-1H-pyrazole

$$$$ Data

M. F.

C10H7Br2N3O2

Suppliers	Catalog Number
Matrix Scientific	048188
Key Organics	NB-0821

Database	Data ID
PubChem	19697238

M. W.

360.98948

CAS

155601-03-9

Similarity

N/A

ID: 44724

[5-nitro-2-(piperidin-1-yl)phenyl]methanol

$$$$ Data

M. F.

C12H16N2O3

Suppliers	Catalog Number
Matrix Scientific	048189
Key Organics	NB-0824

Database	Data ID
PubChem	2727951

M. W.

236.26704

CAS

Similarity

N/A

ID: 44725

1-benzyl-3-bromo-N-methyl-4-nitro-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H11BrN4O2

Suppliers	Catalog Number
Matrix Scientific	048190
Key Organics	NB-0828

Database	Data ID
PubChem	22918634

M. W.

311.13464

CAS

Similarity

N/A

ID: 44726

4-chloropyridine-2-carbaldehyde

$$$$ Data More

M. F.

C6H4ClNO

Suppliers	Catalog Number
Matrix Scientific	048191
Key Organics	NB-5000
Bide Pharmatech	BD96480

Database	Data ID
PubChem	2763166

M. W.

141.55506

CAS

63071-13-6

Similarity

N/A

ID: 44727

2-(piperazin-1-yl)-4-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]pyrimidine dihydrochl...

$$$$ Data

M. F.

C13H20Cl2N6O

Suppliers	Catalog Number
Matrix Scientific	048192
Key Organics	NC-0048
Apollo Scientific	OR16869

Database	Data ID
PubChem	45588449

M. W.

347.2435

CAS

Similarity

N/A

ID: 44728

4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-(piperazin-1-yl)pyrimidine dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N6O

Suppliers	Catalog Number
Matrix Scientific	048193
Key Organics	NC-0087
Apollo Scientific	OR16880

Database	Data ID
PubChem	45588451

M. W.

319.19034

CAS

Similarity

N/A

ID: 44729

ethyl 4-(difluoromethoxy)benzoate

$$$$ Data

M. F.

C10H10F2O3

Suppliers	Catalog Number
Matrix Scientific	048194
Key Organics	NC-0225

Database	Data ID
PubChem	40148102

M. W.

216.1814064

CAS

773134-78-4

Similarity

N/A

ID: 44730

N'-[(1E)-2-chloroethylidene]ethoxycarbohydrazide

$$$$ Data

M. F.

C5H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	048195
Key Organics	NC-0700

Database	Data ID
PubChem	9567925

M. W.

164.59016

CAS

62105-88-8

Similarity

N/A

ID: 44731

methyl 2,6-dichloropyridine-3-carboxylate

$$$$ Data More

M. F.

C7H5Cl2NO2

Suppliers	Catalog Number
Sigma Aldrich	656437
Alfa Aesar	H51092
Matrix Scientific	048197

Database	Data ID
PubChem	11106516

M. W.

206.0261

CAS

65515-28-8

Similarity

N/A

ID: 44732

3-(4-ethylphenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Matrix Scientific	048198
Key Organics	NC-0706
Enamine	EN300-68641

Database	Data ID
PubChem	3732167

M. W.

188.22578

CAS

1020955-20-7

Similarity

N/A

ID: 44733

tert-butyl 4-[2-(3-nitrophenoxy)ethyl]piperazine-1-carboxylate

$$$$ Data

M. F.

C17H25N3O5

Suppliers	Catalog Number
Matrix Scientific	048200
Key Organics	NC-0709

Database	Data ID
PubChem	36995583

M. W.

351.3975

CAS

Similarity

N/A

ID: 44734

2-(piperazin-1-yl)pyridine-3-carbonitrile

$$$$ Data More

M. F.

C10H12N4

Suppliers	Catalog Number
Matrix Scientific	048201
Key Organics	NC-0712
Maybridge	HTS04470

Database	Data ID
PubChem	2737203

M. W.

188.22908

CAS

84951-44-0

Similarity

N/A

ID: 44735

3-{[(tert-butoxy)carbonyl]amino}pyridine-4-carboxylic acid

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Matrix Scientific	048202
Key Organics	NC-0713

Database	Data ID
PubChem	21201523

M. W.

238.23986

CAS

179024-65-8

Similarity

N/A

ID: 44736

tert-butyl 4-[2-(3-aminophenoxy)ethyl]piperazine-1-carboxylate

$$$$ Data

M. F.

C17H27N3O3

Suppliers	Catalog Number
Matrix Scientific	048203
Key Organics	NC-0714

Database	Data ID
PubChem	36995586

M. W.

321.41458

CAS

Similarity

N/A

ID: 44737

methyl 5-(methylamino)-2-nitrobenzoate

$$$$ Data

M. F.

C9H10N2O4

Suppliers	Catalog Number
Matrix Scientific	048205
Key Organics	NC-0717

Database	Data ID
PubChem	36995588

M. W.

210.1867

CAS

Similarity

N/A

ID: 44738

4-chloro-5-methoxy-2-phenylpyrimidine

$$$$ Data

M. F.

C11H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	048206
Key Organics	NC-0718

Database	Data ID
PubChem	4326039

M. W.

220.65496

CAS

Similarity

N/A

ID: 44739

6-cyclopropyl-1H-pyrazolo[3,4-b]pyridin-3-amine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
Matrix Scientific	048207
Key Organics	NC-0719

Database	Data ID
PubChem	36995590

M. W.

174.2025

CAS

Similarity

N/A

ID: 44740

6-cyclopropyl-1-methyl-1H-pyrazolo[3,4-b]pyridin-3-amine

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Matrix Scientific	048208
Key Organics	NC-0720

Database	Data ID
PubChem	36995592

M. W.

188.22908

CAS

Similarity

N/A

ID: 44741

(5-fluoro-1-benzothiophen-2-yl)methanol

$$$$ Data

M. F.

C9H7FOS

Suppliers	Catalog Number
Matrix Scientific	048209
Key Organics	NC-0721

Database	Data ID
PubChem	36995594

M. W.

182.2146832

CAS

13771-73-8

Similarity

N/A

ID: 44742

(7-fluoro-1-benzothiophen-2-yl)methanol

$$$$ Data

M. F.

C9H7FOS

Suppliers	Catalog Number
Matrix Scientific	048210
Key Organics	NC-0722

Database	Data ID
PubChem	36995596

M. W.

182.2146832

CAS

Similarity

N/A

ID: 44743

methyl 5-(dimethylamino)-2-nitrobenzoate

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Matrix Scientific	048211
Key Organics	NC-0723

Database	Data ID
PubChem	23144852

M. W.

224.21328

CAS

749863-29-4

Similarity

N/A

ID: 44744

(6-chloro-1-benzothiophen-2-yl)methanol

$$$$ Data

M. F.

C9H7ClOS

Suppliers	Catalog Number
Matrix Scientific	048212
Key Organics	NC-0727

Database	Data ID
PubChem	36995598

M. W.

198.66928

CAS

Similarity

N/A

ID: 44745

2-nitro-5-(trifluoromethyl)phenol

$$$$ Data More

M. F.

C7H4F3NO3

Suppliers	Catalog Number
Matrix Scientific	048213
Key Organics	NC-0728
Apollo Scientific	PC6361

Database	Data ID
PubChem	14091690

M. W.

207.1067696

CAS

402-17-5

Similarity

N/A

ID: 44746

methyl 5-(morpholin-4-yl)-2-nitrobenzoate

$$$$ Data

M. F.

C12H14N2O5

Suppliers	Catalog Number
Matrix Scientific	048214
Key Organics	NC-0729

Database	Data ID
PubChem	14983554

M. W.

266.24996

CAS

134050-75-2

Similarity

N/A

ID: 44747

(2-methoxypyridin-4-yl)methanol

$$$$ Data More

M. F.

C7H9NO2

Suppliers	Catalog Number
Matrix Scientific	048215
Key Organics	NC-0735
Bide Pharmatech	BD162120

Database	Data ID
PubChem	14462410

M. W.

139.15186

CAS

123148-66-3

Similarity

N/A

ID: 44748

methyl 3-amino-6-cyclopropylthieno[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C12H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	048216
Key Organics	NC-0737

Database	Data ID
PubChem	36995603

M. W.

248.30088

CAS

Similarity

N/A

ID: 44749

3-bromo-4-[(3,5-dimethylphenyl)methoxy]benzaldehyde

$$$$ Data

M. F.

C16H15BrO2

Suppliers	Catalog Number
Matrix Scientific	048217
Key Organics	NC-0738

Database	Data ID
PubChem	36995605

M. W.

319.1931

CAS

Similarity

N/A

ID: 44750

2-bromo-5-methoxy-4-methylaniline

$$$$ Data

M. F.

C8H10BrNO

Suppliers	Catalog Number
Matrix Scientific	048218
Key Organics	NC-0740

Database	Data ID
PubChem	21966452

M. W.

216.0751

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