Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H11NO

Suppliers	Catalog Number
Sigma Aldrich	252875
MP Biomedicals	05204341
Apollo Scientific	OR10116

Database	Data ID
PubChem	12965

M. W.

101.14694

CAS

758-96-3

Similarity

N/A

ID: 74502

dioctylamine

$$$$ Data More

M. F.

C16H35N

Suppliers	Catalog Number
Sigma Aldrich	D201146 42390
Alfa Aesar	A18017
Apollo Scientific	OR10117

Database	Data ID
PubChem	3094

M. W.

241.4558

CAS

1120-48-5

Similarity

N/A

ID: 74503

dipentylamine

$$$$ Data

M. F.

C10H23N

Suppliers	Catalog Number
Sigma Aldrich	338699
Apollo Scientific	OR10118
InterBioScreen	BB_SC-6969

Database	Data ID
PubChem	16316

M. W.

157.29632

CAS

2050-92-2

Similarity

N/A

ID: 74504

heptanenitrile

$$$$ Data More

M. F.

C7H13N

Suppliers	Catalog Number
Sigma Aldrich	404896
MP Biomedicals	05211552
Alfa Aesar	A12326

Database	Data ID
PubChem	12372

M. W.

111.18482

CAS

629-08-3

Similarity

N/A

ID: 74505

heptan-2-ol

$$$$ Data More

M. F.

C7H16O

Suppliers	Catalog Number
Sigma Aldrich	W328804 H3003 51800
MP Biomedicals	05204119
Alfa Aesar	A18391

Database	Data ID
Wikipedia	2-Heptanol
PubChem	10976

M. W.

116.20134

CAS

543-49-7

Similarity

N/A

ID: 74506

5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C9H7NO2S2

Suppliers	Catalog Number
Maybridge	CC18201
Apollo Scientific	OR101203

Database	Data ID
PubChem	614467

M. W.

225.28738

CAS

400715-45-9

Similarity

N/A

ID: 74507

heptan-4-ol

$$$$ Data

M. F.

C7H16O

Suppliers	Catalog Number
MP Biomedicals	05207279
Apollo Scientific	OR10121

Database	Data ID
PubChem	11513

M. W.

116.20134

CAS

589-55-9

Similarity

N/A

ID: 74508

heptan-2-one

$$$$ Data More

M. F.

C7H14O

Suppliers	Catalog Number
Sigma Aldrich	W254401 123366 02476 (more...)
MP Biomedicals	02151241 05203988
Alfa Aesar	A10200

Database	Data ID
Wikipedia	2-Heptanone
PubChem	8051

M. W.

114.18546

CAS

110-43-0

Similarity

N/A

ID: 74509

heptan-4-one

$$$$ Data More

M. F.

C7H14O

Suppliers	Catalog Number
Sigma Aldrich	W254606 101745 43570 (more...)
MP Biomedicals	02157330
Alfa Aesar	B21222

Database	Data ID
Wikipedia	4-Heptanone
PubChem	31246

M. W.

114.18546

CAS

123-19-3

Similarity

N/A

ID: 74510

1,8-dimethyl octanedioate

$$$$ Data More

M. F.

C10H18O4

Suppliers	Catalog Number
Sigma Aldrich	S6007 149012
MP Biomedicals	02156680 05204762
Alfa Aesar	B22681

Database	Data ID
PubChem	15611

M. W.

202.24752

CAS

1732-09-8

Similarity

N/A

ID: 74511

octanedinitrile

$$$$ Data More

M. F.

C8H12N2

Suppliers	Catalog Number
Sigma Aldrich	D78008 60980
MP Biomedicals	05203279
Alfa Aesar	B24543

Database	Data ID
PubChem	12385

M. W.

136.19428

CAS

629-40-3

Similarity

N/A

ID: 74512

3-(4-nitrophenoxy)propanoic acid

$$$$ Data

M. F.

C9H9NO5

Suppliers	Catalog Number
Apollo Scientific	OR10128
Enamine	EN300-36067

Database	Data ID
PubChem	351535

M. W.

211.17146

CAS

10572-16-4

Similarity

N/A

ID: 74513

1-benzothiophene-5-carbaldehyde

$$$$ Data

M. F.

C9H6OS

Suppliers	Catalog Number
Maybridge	CC24804
Apollo Scientific	OR101286

Database	Data ID
PubChem	139097

M. W.

162.20834

CAS

10133-30-9

Similarity

N/A

ID: 74514

(2-amino-2-methylpropyl)dimethylamine

$$$$ Data

M. F.

C6H16N2

Suppliers	Catalog Number
ChemBridge	4035812
Apollo Scientific	OR10132

Database	Data ID
PubChem	226843

M. W.

116.20464

CAS

89379-40-8

Similarity

N/A

ID: 74515

1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione

$$$$ Data

M. F.

C5H6BrClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR10136
Bide Pharmatech	BD18673
A&J Pharmtech	AJA-O11462 AJA-O11640

Database	Data ID
PubChem	61828

M. W.

241.47034

CAS

32718-18-6

Similarity

N/A

ID: 74516

3-methylthiophene

$$$$ Data More

M. F.

C5H6S

Suppliers	Catalog Number
Sigma Aldrich	M84402 69370
MP Biomedicals	05216792
Alfa Aesar	A13394

Database	Data ID
PubChem	12024

M. W.

98.16614

CAS

616-44-4

Similarity

N/A

ID: 74517

tetrachlorothiophene

$$$$ Data More

M. F.

C4Cl4S

Suppliers	Catalog Number
Sigma Aldrich	131873
Alfa Aesar	L03127
Apollo Scientific	OR10145

Database	Data ID
PubChem	22344

M. W.

221.9198

CAS

6012-97-1

Similarity

N/A

ID: 74518

2-amino-3,5-dibromobenzonitrile

$$$$ Data

M. F.

C7H4Br2N2

Suppliers	Catalog Number
Sigma Aldrich	642800
Apollo Scientific	OR1015
Chemik	CHB27541

Database	Data ID
PubChem	2734082

M. W.

275.92806

CAS

68385-95-5

Similarity

N/A

ID: 74519

2-bromo-5-nitrothiophene

$$$$ Data More

M. F.

C4H2BrNO2S

Suppliers	Catalog Number
Sigma Aldrich	544531
Alfa Aesar	A15866
Apollo Scientific	OR10150

Database	Data ID
PubChem	83222

M. W.

208.03318

CAS

13195-50-1

Similarity

N/A

ID: 74520

2-(thiophen-2-yl)acetyl chloride

$$$$ Data More

M. F.

C6H5ClOS

Suppliers	Catalog Number
Sigma Aldrich	195995 88973
Alfa Aesar	L09323
Apollo Scientific	OR10151

Database	Data ID
PubChem	162362

M. W.

160.6213

CAS

39098-97-0

Similarity

N/A

ID: 74521

3,5-dinitrothiophen-2-amine

$$$$ Data

M. F.

C4H3N3O4S

Suppliers	Catalog Number
Sigma Aldrich	521620
Apollo Scientific	OR10154

Database	Data ID
PubChem	74895

M. W.

189.14932

CAS

2045-70-7

Similarity

N/A

ID: 74522

1-(4,5-dimethylthiophen-2-yl)ethan-1-one

$$$$ Data

M. F.

C8H10OS

Suppliers	Catalog Number
Apollo Scientific	OR10157

Database	Data ID
PubChem	298612

M. W.

154.2294

CAS

Similarity

N/A

ID: 74523

4-bromo-2,6-dichlorobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H4BrCl2NO2S

Suppliers	Catalog Number
Apollo Scientific	OR1016
A&J Pharmtech	AJA-O4073

Database	Data ID
PubChem	2737446

M. W.

304.97646

CAS

351003-55-9

Similarity

N/A

ID: 74524

1-(2-amino-5-nitrothiophen-3-yl)propan-1-one

$$$$ Data

M. F.

C7H8N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR10161

Database	Data ID
PubChem	2737606

M. W.

200.21502

CAS

Similarity

N/A

ID: 74525

5-methyl-1-benzothiophene-2-carbaldehyde

$$$$ Data

M. F.

C10H8OS

Suppliers	Catalog Number
Maybridge	MO07071
Apollo Scientific	OR101620

Database	Data ID
PubChem	2794770

M. W.

176.23492

CAS

27035-41-2

Similarity

N/A

ID: 74526

ethyl 2-amino-5-nitrothiophene-3-carboxylate

$$$$ Data

M. F.

C7H8N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR10163
Life Chemicals	F0806-0087

Database	Data ID
PubChem	2737608

M. W.

216.21442

CAS

42783-04-0

Similarity

N/A

ID: 74527

5-bromo-2,3-dihydro-1-benzofuran-7-sulfonyl chloride

$$$$ Data

M. F.

C8H6BrClO3S

Suppliers	Catalog Number
Maybridge	MO07141
Apollo Scientific	OR101632

Database	Data ID
PubChem	2794799

M. W.

297.55344

CAS

690632-00-9

Similarity

N/A

ID: 74528

1-(2-amino-5-nitrothiophen-3-yl)ethan-1-one

$$$$ Data

M. F.

C6H6N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR10164

Database	Data ID
PubChem	2737609

M. W.

186.18844

CAS

Similarity

N/A

ID: 74529

methyl 2-amino-5-nitrothiophene-3-carboxylate

$$$$ Data

M. F.

C6H6N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR10165
Enamine	EN300-107690

Database	Data ID
PubChem	2737610

M. W.

202.18784

CAS

Similarity

N/A

ID: 74530

2-amino-4-chloro-5-formylthiophene-3-carbonitrile

$$$$ Data

M. F.

C6H3ClN2OS

Suppliers	Catalog Number
Sigma Aldrich	694355
Apollo Scientific	OR10166

Database	Data ID
PubChem	2737612

M. W.

186.61882

CAS

104366-23-6

Similarity

N/A

ID: 74531

2-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)acetaldehyde

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Apollo Scientific	OR10169

Database	Data ID
PubChem	1712850

M. W.

201.2643

CAS

84-83-3

Similarity

N/A

ID: 74532

2,4-dichlorobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H5Cl2NO2S

Suppliers	Catalog Number
Apollo Scientific	OR1017

Database	Data ID
PubChem	2737447

M. W.

226.0804

CAS

Similarity

N/A

ID: 74533

5-chloro-1,3,3-trimethyl-2-methylidene-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C12H14ClN

Suppliers	Catalog Number
Sigma Aldrich	161810
Apollo Scientific	OR10170

Database	Data ID
PubChem	81308

M. W.

207.69926

CAS

6872-17-9

Similarity

N/A

ID: 74534

2-methyl-2,3-dihydro-1H-indol-1-amine hydrochloride

$$$$ Data

M. F.

C9H13ClN2

Suppliers	Catalog Number
Apollo Scientific	OR10171
A&J Pharmtech	AJA-O8005 AJA-O8872

Database	Data ID
PubChem	2737616

M. W.

184.66592

CAS

102789-79-7

Similarity

N/A

ID: 74535

2,3-dimethyl-1H-indole

$$$$ Data More

M. F.

C10H11N

Suppliers	Catalog Number
Sigma Aldrich	120812
MP Biomedicals	05204060
Alfa Aesar	A18504

Database	Data ID
PubChem	7053

M. W.

145.20104

CAS

91-55-4

Similarity

N/A

ID: 74536

2-methyl-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C9H11N

Suppliers	Catalog Number
Sigma Aldrich	M51601
Apollo Scientific	OR10176
Bide Pharmatech	BD77797

Database	Data ID
PubChem	23305

M. W.

133.19034

CAS

6872-06-6

Similarity

N/A

ID: 74537

thieno[3,2-b]thiophene-2-carbaldehyde

$$$$ Data

M. F.

C7H4OS2

Suppliers	Catalog Number
Apollo Scientific	OR101767

Database	Data ID
PubChem	737206

M. W.

168.23606

CAS

31486-86-9

Similarity

N/A

ID: 74538

2-(1H-indol-3-yl)acetonitrile

$$$$ Data More

M. F.

C10H8N2

Suppliers	Catalog Number
Sigma Aldrich	129453 57280
MP Biomedicals	02102039 05213584
Alfa Aesar	L05455

Database	Data ID
PubChem	351795

M. W.

156.18392

CAS

771-51-7

Similarity

N/A

ID: 74539

methyl 1H-indole-2-carboxylate

$$$$ Data More

M. F.

C10H9NO2

Suppliers	Catalog Number
Maybridge	MO00996
Apollo Scientific	OR10191
InterBioScreen	BB_SC-0205

Database	Data ID
PubChem	70992

M. W.

175.18396

CAS

1202-04-6

Similarity

N/A

ID: 74540

1-ethyl-2-phenyl-1H-indole

$$$$ Data

M. F.

C16H15N

Suppliers	Catalog Number
Alfa Aesar	L11228
Apollo Scientific	OR10192
A&J Pharmtech	AJA-O4678

Database	Data ID
PubChem	83248

M. W.

221.297

CAS

13228-39-2

Similarity

N/A

ID: 74541

1-methyl-2-phenyl-1H-indole

$$$$ Data More

M. F.

C15H13N

Suppliers	Catalog Number
Sigma Aldrich	M1164 404888
Alfa Aesar	B22105
Apollo Scientific	OR10193

Database	Data ID
PubChem	77095

M. W.

207.27042

CAS

3558-24-5

Similarity

N/A

ID: 74542

2-pentyl-1H-indole

$$$$ Data

M. F.

C13H17N

Suppliers	Catalog Number
Apollo Scientific	OR10195

Database	Data ID
PubChem	2737638

M. W.

187.28078

CAS

Similarity

N/A

ID: 74543

(1,3-dimethyl-1H-pyrazol-5-yl)methanamine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
Maybridge	CC12513
Apollo Scientific	OR101954

Database	Data ID
PubChem	1257670

M. W.

125.17164

CAS

499770-63-7

Similarity

N/A

ID: 74544

5-cyclopropyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR1020

Database	Data ID
PubChem	6991953

M. W.

152.15062

CAS

Similarity

N/A

ID: 74545

1-methyl-2-phenyl-1H-indole-3-carbaldehyde

$$$$ Data More

M. F.

C16H13NO

Suppliers	Catalog Number
Apollo Scientific	OR10204
Life Chemicals	F0921-0537
InterBioScreen	BB_SC-7733

Database	Data ID
PubChem	74468

M. W.

235.28052

CAS

1757-72-8

Similarity

N/A

ID: 74546

5-chloro-2,3,3-trimethyl-3H-indole

$$$$ Data

M. F.

C11H12ClN

Suppliers	Catalog Number
Apollo Scientific	OR10207

Database	Data ID
PubChem	117694

M. W.

193.67268

CAS

25981-83-3

Similarity

N/A

ID: 74547

1H-indol-7-ol

$$$$ Data

M. F.

C8H7NO

Suppliers	Catalog Number
Apollo Scientific	OR10209
TRC	H943520
A&J Pharmtech	AJA-O39191

Database	Data ID
PubChem	2737651

M. W.

133.14728

CAS

2380-84-9

Similarity

N/A

ID: 74548

3-{[(1,3-dioxo-2,3-dihydro-1H-inden-2-ylidene)methyl]amino}benzoic acid

$$$$ Data

M. F.

C17H11NO4

Suppliers	Catalog Number
Apollo Scientific	OR10212

Database	Data ID
PubChem	2735215

M. W.

293.27354

CAS

Similarity

N/A

ID: 74549

4-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methoxy]-3-metho...

$$$$ Data

M. F.

C19H17BrN2O4

Suppliers	Catalog Number
Apollo Scientific	OR10213

Database	Data ID
PubChem	2735217

M. W.

417.25328

CAS

Similarity

N/A

ID: 74550

2-(4-bromophenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide

$$$$ Data

M. F.

C18H17BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR10214

Database	Data ID
PubChem	2062213

M. W.

373.24378

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