Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H11Cl

Suppliers	Catalog Number
Sigma Aldrich	277029 25110
MP Biomedicals	05201067
Alfa Aesar	A11703

Database	Data ID
Wikipedia	Tert-Amyl_chloride
PubChem	61143

M. W.

106.59384

CAS

594-36-5

Similarity

N/A

ID: 106702

1-(3-ethylpyrazin-2-yl)ethan-1-one

$$$$ Data More

M. F.

C8H10N2O

Suppliers	Catalog Number
Sigma Aldrich	W325007
MP Biomedicals	05201069
Alfa Aesar	A15674

Database	Data ID
PubChem	61918

M. W.

150.1778

CAS

32974-92-8

Similarity

N/A

ID: 106703

7,12-dihydrotetraphene-7,12-dione

$$$$ Data More

M. F.

C18H10O2

Suppliers	Catalog Number
Sigma Aldrich	222216 337749
MP Biomedicals	05201072
Alfa Aesar	A16593

Database	Data ID
PubChem	17253

M. W.

258.2708

CAS

2498-66-0

Similarity

N/A

ID: 106704

tetraiodoiridium

$$$$ Data

M. F.

I4Ir

Suppliers	Catalog Number
MP Biomedicals	05201078

Database	Data ID
PubChem	25113453

M. W.

699.83488

CAS

7790-45-6

Similarity

N/A

ID: 106705

sodium 2-fluoroacetate

$$$$ Data

M. F.

C2H2FNaO2

Suppliers	Catalog Number
Sigma Aldrich	367133 71520 31220 (more...)
MP Biomedicals	05201080

Database	Data ID
Wikipedia	Sodium_fluoroacetate
PubChem	16212360

M. W.

100.0242532

CAS

62-74-8

Similarity

N/A

ID: 106706

trifluoroneodymium; trifluoropraseodymium

$$$$ Data

M. F.

F6NdPr

Suppliers	Catalog Number
MP Biomedicals	05201088

Database	Data ID
PubChem	44135818

M. W.

399.1380692

CAS

Similarity

N/A

ID: 106707

2,2-dichloro-N-phenylacetamide

$$$$ Data

M. F.

C8H7Cl2NO

Suppliers	Catalog Number
MP Biomedicals	05201100

Database	Data ID
PubChem	35857

M. W.

204.05328

CAS

31620-87-8

Similarity

N/A

ID: 106708

4,5-dichloro-1,3-dioxolan-2-one

$$$$ Data

M. F.

C3H2Cl2O3

Suppliers	Catalog Number
MP Biomedicals	05201113

Database	Data ID
PubChem	19869

M. W.

156.95218

CAS

3967-55-3

Similarity

N/A

ID: 106709

hept-1-en-3-ol

$$$$ Data

M. F.

C7H14O

Suppliers	Catalog Number
Sigma Aldrich	W412901 428973 W517003 (more...)
MP Biomedicals	05201120
Alfa Aesar	A14651

Database	Data ID
PubChem	21057

M. W.

114.18546

CAS

4938-52-7

Similarity

N/A

ID: 106710

cobalt(2+) ion bis(2,3,4,5,6-pentahydroxyhexanoate)

$$$$ Data

M. F.

C12H22CoO14

Suppliers	Catalog Number
MP Biomedicals	05201121

Database	Data ID
PubChem	13269785

M. W.

449.22788

CAS

3791-65-9

Similarity

N/A

ID: 106711

cobalt(2+) ion bis(2-ethyl-2,3,4,5,6-pentahydroxyhexanoate)

$$$$ Data

M. F.

C16H30CoO14

Suppliers	Catalog Number
MP Biomedicals	05201123

Database	Data ID
PubChem	44135479

M. W.

505.3342

CAS

136-52-7

Similarity

N/A

ID: 106712

octa-1,7-diyne

$$$$ Data

M. F.

C8H10

Suppliers	Catalog Number
Sigma Aldrich	161292
MP Biomedicals	05201128
Alfa Aesar	A15829

Database	Data ID
PubChem	70099

M. W.

106.165

CAS

871-84-1

Similarity

N/A

ID: 106713

cobalt(2+) ion dioxomolybdenumbis(olate) hydrate

$$$$ Data

M. F.

CoH2MoO5

Suppliers	Catalog Number
MP Biomedicals	05201133

Database	Data ID
PubChem	44135796

M. W.

236.90608

CAS

18601-87-1

Similarity

N/A

ID: 106714

cobalt(2+) ion bis(naphthalene-2-carboxylate)

$$$$ Data

M. F.

C22H14CoO4

Suppliers	Catalog Number
MP Biomedicals	05201134
Alfa Aesar	40387

Database	Data ID
PubChem	14048876

M. W.

401.27736

CAS

61789-51-3

Similarity

N/A

ID: 106715

triphenyl(prop-2-en-1-yl)plumbane

$$$$ Data

M. F.

C21H20Pb

Suppliers	Catalog Number
MP Biomedicals	05201135 05220297

Database	Data ID
PubChem	11113591

M. W.

479.5835

CAS

Similarity

N/A

ID: 106716

6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.0^{4,9}.0^{15,19}]he...

$$$$ Data

M. F.

C21H23NO5

Suppliers	Catalog Number
MP Biomedicals	05201142
InterBioScreen	Bio-0203

Database	Data ID
PubChem	72616

M. W.

369.41102

CAS

482-74-6

Similarity

N/A

ID: 106717

iron(3+) ion copper(2+) ion pentakis(iminomethanide) nitroso dihydrate

$$$$ Data

M. F.

C5H4CuFeN6O3

Suppliers	Catalog Number
MP Biomedicals	05201153

Database	Data ID
PubChem	44135492

M. W.

315.51466

CAS

14709-56-9

Similarity

N/A

ID: 106718

copper(2+) ion bis(octadec-9-enoate)

$$$$ Data

M. F.

C36H66CuO4

Suppliers	Catalog Number
MP Biomedicals	05201154

Database	Data ID
PubChem	6538327

M. W.

626.45284

CAS

1120-44-1

Similarity

N/A

ID: 106719

disodium 8-[2-(naphthalen-1-yl)hydrazin-1-ylidene]-7-oxo-7,8-dihydronaphthalene-...

$$$$ Data

M. F.

C20H12N2Na2O7S2

Suppliers	Catalog Number
MP Biomedicals	05201163

Database	Data ID
PubChem	9577452

M. W.

502.42802

CAS

2766-77-0

Similarity

N/A

ID: 106720

1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbox...

$$$$ Data

M. F.

C20H28O2

Suppliers	Catalog Number
MP Biomedicals	05201167

Database	Data ID
PubChem	15618

M. W.

300.43512

CAS

1740-19-8

Similarity

N/A

ID: 106721

benzo[h]quinoline

$$$$ Data More

M. F.

C13H9N

Suppliers	Catalog Number
Sigma Aldrich	123617 12300
MP Biomedicals	05201176
Alfa Aesar	A17794

Database	Data ID
PubChem	9191

M. W.

179.21726

CAS

230-27-3

Similarity

N/A

ID: 106722

2-(1H-indol-3-yl)-2-oxoacetyl chloride

$$$$ Data More

M. F.

C10H6ClNO2

Suppliers	Catalog Number
Sigma Aldrich	515205
MP Biomedicals	05201179
Alfa Aesar	L00908

Database	Data ID
PubChem	89952

M. W.

207.61314

CAS

22980-09-2

Similarity

N/A

ID: 106723

dipotassium (disulfonatoamino)oxidanyl

$$$$ Data

M. F.

K2NO7S2

Suppliers	Catalog Number
Sigma Aldrich	220930
MP Biomedicals	05201188

Database	Data ID
PubChem	3032624

M. W.

268.3291

CAS

14293-70-0

Similarity

N/A

ID: 106724

ethyl 12-hydroxyoctadecanoate

$$$$ Data

M. F.

C20H40O3

Suppliers	Catalog Number
Sigma Aldrich	H6879
MP Biomedicals	05201190

Database	Data ID
PubChem	3457651

M. W.

328.5298

CAS

82807-36-1

Similarity

N/A

ID: 106725

thallium(3+) ion hexahydrate triperchlorate

$$$$ Data

M. F.

Cl3H12O18Tl

Suppliers	Catalog Number
MP Biomedicals	05201192

Database	Data ID
PubChem	3084239

M. W.

610.82678

CAS

15596-83-5

Similarity

N/A

ID: 106726

4-[(3-carboxypropyl)disulfanyl]butanoic acid

$$$$ Data

M. F.

C8H14O4S2

Suppliers	Catalog Number
Sigma Aldrich	C15605
MP Biomedicals	05201202
A&J Pharmtech	AJA-O9680

Database	Data ID
PubChem	76196

M. W.

238.32436

CAS

2906-60-7

Similarity

N/A

ID: 106727

$l^{4}-cerium(4+) ion tetraoxidanide

$$$$ Data

M. F.

CeO4

Suppliers	Catalog Number
MP Biomedicals	05201212

Database	Data ID
PubChem	10219931

M. W.

204.1136

CAS

12014-56-1

Similarity

N/A

ID: 106728

2-methylpent-1-en-3-yne

$$$$ Data

M. F.

C6H8

Suppliers	Catalog Number
MP Biomedicals	05201217

Database	Data ID
PubChem	136709

M. W.

80.12772

CAS

Similarity

N/A

ID: 106729

2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid

$$$$ Data More

M. F.

C5H5NO3S2

Suppliers	Catalog Number
Sigma Aldrich	347558 R1102 75955
MP Biomedicals	05201221
Alfa Aesar	B22244

Database	Data ID
PubChem	79793

M. W.

191.2281

CAS

5718-83-2

Similarity

N/A

ID: 106730

1,3-diethyl 2-chloropropanedioate

$$$$ Data More

M. F.

C7H11ClO4

Suppliers	Catalog Number
Sigma Aldrich	437786
MP Biomedicals	05201223
TRC	D444060

Database	Data ID
PubChem	84182

M. W.

194.61284

CAS

14064-10-9

Similarity

N/A

ID: 106731

3-(phenylmethylidene)oxolan-2-one

$$$$ Data

M. F.

C11H10O2

Suppliers	Catalog Number
MP Biomedicals	05201231

Database	Data ID
PubChem	914711

M. W.

174.1959

CAS

6285-99-0

Similarity

N/A

ID: 106732

trisodium 4-hydroxy-5-{2-[4-(phenylamino)-5-sulfonatonaphthalen-1-yl]diazen-1-yl...

$$$$ Data

M. F.

C26H16N3Na3O10S3

Suppliers	Catalog Number
Sigma Aldrich	210420
MP Biomedicals	05201238

Database	Data ID
PubChem	19731

M. W.

695.58365

CAS

12226-74-3

Similarity

N/A

ID: 106733

disodium 4-[2-(naphthalen-1-yl)hydrazin-1-ylidene]-3-oxo-3,4-dihydronaphthalene-...

$$$$ Data

M. F.

C20H12N2Na2O7S2

Suppliers	Catalog Number
MP Biomedicals	05201239

Database	Data ID
PubChem	5360092

M. W.

502.42802

CAS

5858-33-3

Similarity

N/A

ID: 106734

[(benzyldisulfanyl)methyl]benzene

$$$$ Data More

M. F.

C14H14S2

Suppliers	Catalog Number
Sigma Aldrich	W361704 B21805
MP Biomedicals	05201245
Alfa Aesar	L11850

Database	Data ID
PubChem	9012

M. W.

246.39096

CAS

150-60-7

Similarity

N/A

ID: 106735

benzyl[2-(dimethylamino)ethyl]amine

$$$$ Data More

M. F.

C11H18N2

Suppliers	Catalog Number
Sigma Aldrich	127191
MP Biomedicals	05201246
Alfa Aesar	L03126

Database	Data ID
PubChem	66029

M. W.

178.27402

CAS

103-55-9

Similarity

N/A

ID: 106736

4-bromobutanenitrile

$$$$ Data More

M. F.

C4H6BrN

Suppliers	Catalog Number
Sigma Aldrich	B59802
MP Biomedicals	05201248
Alfa Aesar	A10674

Database	Data ID
PubChem	21412

M. W.

148.00114

CAS

5332-06-9

Similarity

N/A

ID: 106737

N-benzylaniline

$$$$ Data

M. F.

C13H13N

Suppliers	Catalog Number
Sigma Aldrich	128937 185493
MP Biomedicals	05201251

Database	Data ID
PubChem	66028

M. W.

183.24902

CAS

103-32-2

Similarity

N/A

ID: 106738

9-(phenylmethylidene)-9H-fluorene

$$$$ Data

M. F.

C20H14

Suppliers	Catalog Number
Sigma Aldrich	569623
MP Biomedicals	05201260

Database	Data ID
PubChem	137231

M. W.

254.32516

CAS

1836-87-9

Similarity

N/A

ID: 106739

beryllium(2+) ion bis(4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C10H14BeO4

Suppliers	Catalog Number
MP Biomedicals	05201263
Alfa Aesar	38575

Database	Data ID
PubChem	5486772

M. W.

207.227942

CAS

10210-64-7

Similarity

N/A

ID: 106740

oxostannanylidene

$$$$ Data

M. F.

OSn

Suppliers	Catalog Number
MP Biomedicals	05201265

Database	Data ID
PubChem	88989

M. W.

134.7004

CAS

21651-19-4

Similarity

N/A

ID: 106741

2-(benzylamino)ethan-1-ol

$$$$ Data More

M. F.

C9H13NO

Suppliers	Catalog Number
Sigma Aldrich	B22003 13200
MP Biomedicals	05201268
Alfa Aesar	A16866

Database	Data ID
PubChem	4348

M. W.

151.20562

CAS

104-63-2

Similarity

N/A

ID: 106742

(2-ethylbut-2-enoyl)urea

$$$$ Data

M. F.

C7H12N2O2

Suppliers	Catalog Number
MP Biomedicals	05201271

Database	Data ID
PubChem	5354486

M. W.

156.18238

CAS

Similarity

N/A

ID: 106743

2-ethylbutyl 2-methylprop-2-enoate

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
MP Biomedicals	05201275

Database	Data ID
PubChem	78817

M. W.

170.24872

CAS

5138-86-3

Similarity

N/A

ID: 106744

beryllium(2+) ion hydrogen phosphate

$$$$ Data

M. F.

BeHO4P

Suppliers	Catalog Number
MP Biomedicals	05201280

Database	Data ID
PubChem	26127

M. W.

104.991483

CAS

13598-15-7

Similarity

N/A

ID: 106745

(5-methylheptan-3-yl)[2-({2-[(5-methylheptan-3-yl)amino]ethyl}amino)ethyl]amine

$$$$ Data

M. F.

C20H45N3

Suppliers	Catalog Number
MP Biomedicals	05201284

Database	Data ID
PubChem	44135404

M. W.

327.5914

CAS

Similarity

N/A

ID: 106746

2-[butyl(2-hydroxyethyl)amino]ethan-1-ol

$$$$ Data

M. F.

C8H19NO2

Suppliers	Catalog Number
Sigma Aldrich	471240 124257 19880
MP Biomedicals	05201285
Alfa Aesar	L09953

Database	Data ID
PubChem	7620

M. W.

161.24196

CAS

102-79-4

Similarity

N/A

ID: 106747

1,1-dichloro-1-zircona-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hex...

$$$$ Data

M. F.

C10H2Cl2Zr

Suppliers	Catalog Number
MP Biomedicals	05201291

Database	Data ID
PubChem	417649

M. W.

284.25288

CAS

1291-32-3

Similarity

N/A

ID: 106748

1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol

$$$$ Data

M. F.

C14H22O2

Suppliers	Catalog Number
MP Biomedicals	05201296
Alfa Aesar	A19488

Database	Data ID
PubChem	94825

M. W.

222.32328

CAS

78-54-6

Similarity

N/A

ID: 106749

4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

$$$$ Data

M. F.

C15H28O2

Suppliers	Catalog Number
Sigma Aldrich	416517
MP Biomedicals	05201297
Bide Pharmatech	BD64296

Database	Data ID
PubChem	94932

M. W.

240.38162

CAS

80-04-6

Similarity

N/A

ID: 106750

2-[ethyl(2-hydroxyethyl)amino]ethan-1-ol

$$$$ Data

M. F.

C6H15NO2

Suppliers	Catalog Number
Sigma Aldrich	112062
MP Biomedicals	05201303

Database	Data ID
PubChem	8769

M. W.

133.1888

CAS

139-87-7

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