Chembase list of 866358 unique molecular structures

2-(3-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
MP Biomedicals	05214855
Enamine	EN300-20885

Database	Data ID
PubChem	18756420

M. W.

208.64426

CAS

90-31-3

Similarity

N/A

ID: 110402

2-chloropropanoic acid

$$$$ Data More

M. F.

C3H5ClO2

Suppliers	Catalog Number
Sigma Aldrich	109274 26160
MP Biomedicals	05214859
Alfa Aesar	A12860

Database	Data ID
Wikipedia	2-Chloropropionic_acid
PubChem	11734

M. W.

108.5236

CAS

598-78-7

Similarity

N/A

ID: 110403

ethyl 6-methyl-2-phenylquinoline-4-carboxylate

$$$$ Data

M. F.

C19H17NO2

Suppliers	Catalog Number
MP Biomedicals	05214863

Database	Data ID
PubChem	68089

M. W.

291.34378

CAS

485-34-7

Similarity

N/A

ID: 110404

ethyl 3-methyl-3-phenyloxirane-2-carboxylate

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Sigma Aldrich	W244406
MP Biomedicals	05214864
Alfa Aesar	B23654

Database	Data ID
Wikipedia	Ethyl_methylphenylglycidate
PubChem	6501

M. W.

206.23776

CAS

77-83-8

Similarity

N/A

ID: 110405

ethyl 3-phenyloxirane-2-carboxylate

$$$$ Data

M. F.

C11H12O3

Suppliers	Catalog Number
Sigma Aldrich	291404 W245402
MP Biomedicals	05214865
Alfa Aesar	B22990

Database	Data ID
PubChem	8469

M. W.

192.21118

CAS

121-39-1

Similarity

N/A

ID: 110406

N-[5-(hydroxyimino)pentylidene]hydroxylamine

$$$$ Data

M. F.

C5H10N2O2

Suppliers	Catalog Number
MP Biomedicals	05214871

Database	Data ID
PubChem	9604604

M. W.

130.1451

CAS

Similarity

N/A

ID: 110407

dodecyl 3-{[3-(dodecyloxy)-3-oxopropyl]sulfanyl}propanoate

$$$$ Data

M. F.

C30H58O4S

Suppliers	Catalog Number
Sigma Aldrich	D128406
MP Biomedicals	05214887

Database	Data ID
PubChem	31250

M. W.

514.84412

CAS

123-28-4

Similarity

N/A

ID: 110408

cyclohexanamine hydrochloride

$$$$ Data

M. F.

C6H14ClN

Suppliers	Catalog Number
MP Biomedicals	05214893
Alfa Aesar	A17308
Bide Pharmatech	BD122790

Database	Data ID
PubChem	2723770

M. W.

135.63506

CAS

4998-76-9

Similarity

N/A

ID: 110409

titanium(4+) ion tetrakis(2-ethylhexan-1-olate)

$$$$ Data

M. F.

C32H68O4Ti

Suppliers	Catalog Number
MP Biomedicals	05214898
Alfa Aesar	44678

Database	Data ID
PubChem	101956

M. W.

564.74692

CAS

1070-10-6

Similarity

N/A

ID: 110410

2-(2-ethoxy-1-hydroxy-2-oxoethyl)butanedioic acid

$$$$ Data

M. F.

C8H12O7

Suppliers	Catalog Number
MP Biomedicals	05214899

Database	Data ID
PubChem	21477331

M. W.

220.17668

CAS

Similarity

N/A

ID: 110411

3-(ethylcarbamoyl)prop-2-enoic acid

$$$$ Data

M. F.

C6H9NO3

Suppliers	Catalog Number
MP Biomedicals	05214901

Database	Data ID
PubChem	5369191

M. W.

143.14056

CAS

4166-67-0

Similarity

N/A

ID: 110412

2-ethylhexyl nonanoate

$$$$ Data

M. F.

C17H34O2

Suppliers	Catalog Number
MP Biomedicals	05214907

Database	Data ID
PubChem	101087

M. W.

270.45066

CAS

59587-44-9

Similarity

N/A

ID: 110413

4-[N-(4-methoxyphenyl)carboximidoyl]benzonitrile

$$$$ Data

M. F.

C15H12N2O

Suppliers	Catalog Number
MP Biomedicals	05214908

Database	Data ID
PubChem	259759

M. W.

236.26858

CAS

20256-89-7

Similarity

N/A

ID: 110414

2-hydroxy-2-phenylacetic acid hexaamine

$$$$ Data

M. F.

C8H26N6O3

Suppliers	Catalog Number
MP Biomedicals	05214915

Database	Data ID
PubChem	23617102

M. W.

254.33044

CAS

587-23-5

Similarity

N/A

ID: 110415

{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(quinolin-4-yl)methanol hydrochloride

$$$$ Data

M. F.

C19H23ClN2O

Suppliers	Catalog Number
MP Biomedicals	05214916

Database	Data ID
PubChem	3035282

M. W.

330.85172

CAS

5949-11-1

Similarity

N/A

ID: 110416

dilutetium(3+) ion hydrate trisulfate

$$$$ Data

M. F.

H2Lu2O13S3

Suppliers	Catalog Number
Sigma Aldrich	325791
MP Biomedicals	05214925
Alfa Aesar	14566

Database	Data ID
PubChem	16212063

M. W.

656.13668

CAS

20814-12-4

Similarity

N/A

ID: 110417

cobalt(2+) ion bis(2-hydroxypropanoate)

$$$$ Data

M. F.

C6H10CoO6

Suppliers	Catalog Number
MP Biomedicals	05214929

Database	Data ID
PubChem	161164

M. W.

237.0732

CAS

16039-54-6

Similarity

N/A

ID: 110418

cyclohexa-1,4-diene

$$$$ Data

M. F.

C6H8

Suppliers	Catalog Number
Sigma Aldrich	28910 125415
MP Biomedicals	05214930
Alfa Aesar	L07337

Database	Data ID
Wikipedia	1,4-Cyclohexadiene
PubChem	12343

M. W.

80.12772

CAS

628-41-1

Similarity

N/A

ID: 110419

3-oxaspiro[5.5]undecane-2,4-dione

$$$$ Data

M. F.

C10H14O3

Suppliers	Catalog Number
Sigma Aldrich	553727
MP Biomedicals	05214931
Enamine	EN300-12674

Database	Data ID
PubChem	2734289

M. W.

182.21636

CAS

1010-26-0

Similarity

N/A

ID: 110420

λ²-cobalt(2+) ion tetrahydrate difluoride

$$$$ Data

M. F.

CoF2O4

Suppliers	Catalog Number
MP Biomedicals	05214934
Alfa Aesar	10693

Database	Data ID
PubChem	24884271

M. W.

160.9276064

CAS

13817-37-3

Similarity

N/A

ID: 110421

7-amino-N,N-diethyl-2-methyl-3H-phenoxazin-3-iminium chloride

$$$$ Data

M. F.

C17H20ClN3O

Suppliers	Catalog Number
MP Biomedicals	05214937

Database	Data ID
PubChem	122299

M. W.

317.8132

CAS

4712-70-3

Similarity

N/A

ID: 110422

sulfanylidenecopper

$$$$ Data

M. F.

CuS

Suppliers	Catalog Number
Sigma Aldrich	342467 450820
MP Biomedicals	05214942

Database	Data ID
Wikipedia	Copper_monosulfide
PubChem	14831

M. W.

95.611

CAS

1317-40-4

Similarity

N/A

ID: 110423

bis(cyanosulfanyl)copper

$$$$ Data

M. F.

C2CuN2S2

Suppliers	Catalog Number
MP Biomedicals	05214943

Database	Data ID
PubChem	11062985

M. W.

179.7108

CAS

1111-67-7

Similarity

N/A

ID: 110424

copper(2+) ion dioxotungstenbis(olate)

$$$$ Data

M. F.

CuO4W

Suppliers	Catalog Number
MP Biomedicals	05214944
Alfa Aesar	40217

Database	Data ID
PubChem	22221750

M. W.

311.3836

CAS

13587-35-4

Similarity

N/A

ID: 110425

λ¹-copper(1+) ion bromide

$$$$ Data

M. F.

BrCu

Suppliers	Catalog Number
MP Biomedicals	05214945
Alfa Aesar	40752 11605

Database	Data ID
PubChem	11715197

M. W.

143.45

CAS

7787-70-4

Similarity

N/A

ID: 110426

3-ethoxy-1$l^{6}-thiolane-1,1-dione

$$$$ Data

M. F.

C6H12O3S

Suppliers	Catalog Number
MP Biomedicals	05214954

Database	Data ID
PubChem	3813693

M. W.

164.22268

CAS

17200-24-7

Similarity

N/A

ID: 110427

triiodostibane

$$$$ Data

M. F.

I3Sb

Suppliers	Catalog Number
Sigma Aldrich	401188 460567
MP Biomedicals	05214975

Database	Data ID
Wikipedia	Antimony_triiodide
PubChem	24630

M. W.

502.47341

CAS

7790-44-5

Similarity

N/A

ID: 110428

tricyclo[3.3.1.1^{3,7}]tetrastiboxane

$$$$ Data

M. F.

O6Sb4

Suppliers	Catalog Number
MP Biomedicals	05214978

Database	Data ID
PubChem	16684270

M. W.

583.0364

CAS

1309-64-4

Similarity

N/A

ID: 110429

tributylarsane

$$$$ Data

M. F.

C12H27As

Suppliers	Catalog Number
MP Biomedicals	05214981

Database	Data ID
PubChem	537047

M. W.

246.26438

CAS

5852-58-4

Similarity

N/A

ID: 110430

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxym...

$$$$ Data

M. F.

C23H25ClO12

Suppliers	Catalog Number
MP Biomedicals	05214984

Database	Data ID
PubChem	12313693

M. W.

528.8904

CAS

8064-60-6

Similarity

N/A

ID: 110431

tricyclo[3.3.1.1³,⁷]tetraarsoxane

$$$$ Data

M. F.

As4O6

Suppliers	Catalog Number
MP Biomedicals	05214987
Alfa Aesar	43488 11173 33289

Database	Data ID
PubChem	518605

M. W.

395.6828

CAS

1327-53-3

Similarity

N/A

ID: 110432

ethyl 2-[(carbamoylmethyl)sulfanyl]acetate

$$$$ Data

M. F.

C6H11NO3S

Suppliers	Catalog Number
MP Biomedicals	05214992

Database	Data ID
PubChem	331102

M. W.

177.22144

CAS

Similarity

N/A

ID: 110433

4-(1,3-benzothiazol-2-ylsulfanyl)butanoic acid

$$$$ Data

M. F.

C11H11NO2S2

Suppliers	Catalog Number
MP Biomedicals	05214998
Enamine	EN300-00226

Database	Data ID
PubChem	294538

M. W.

253.34054

CAS

80357-74-0

Similarity

N/A

ID: 110434

1,3-diethyl 2-phenylpropanedioate

$$$$ Data More

M. F.

C13H16O4

Suppliers	Catalog Number
Sigma Aldrich	111996
MP Biomedicals	05215004
Alfa Aesar	B20234

Database	Data ID
PubChem	66514

M. W.

236.26374

CAS

83-13-6

Similarity

N/A

ID: 110435

1,3-diethyl 2-propylpropanedioate

$$$$ Data More

M. F.

C10H18O4

Suppliers	Catalog Number
Sigma Aldrich	228818
MP Biomedicals	05215005
Alfa Aesar	B23304

Database	Data ID
PubChem	16552

M. W.

202.24752

CAS

2163-48-6

Similarity

N/A

ID: 110436

1,4-bis(2-ethylhexyl) but-2-enedioate

$$$$ Data

M. F.

C20H36O4

Suppliers	Catalog Number
Sigma Aldrich	476129
MP Biomedicals	05215011

Database	Data ID
PubChem	5370325

M. W.

340.49744

CAS

141-02-6

Similarity

N/A

ID: 110437

3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-...

$$$$ Data

M. F.

C22H20O13

Suppliers	Catalog Number
MP Biomedicals	05215024

Database	Data ID
Wikipedia	Carminic_acid
PubChem	14749

M. W.

492.3864

CAS

1260-17-9

Similarity

N/A

ID: 110438

4-ethylheptane

$$$$ Data

M. F.

C9H20

Suppliers	Catalog Number
MP Biomedicals	05215027

Database	Data ID
PubChem	16663

M. W.

128.2551

CAS

2216-32-2

Similarity

N/A

ID: 110439

1,4-bis(propan-2-yl)benzene

$$$$ Data More

M. F.

C12H18

Suppliers	Catalog Number
Sigma Aldrich	126276 38353 38355
MP Biomedicals	05215035
Alfa Aesar	B22871

Database	Data ID
PubChem	7486

M. W.

162.27132

CAS

100-18-5

Similarity

N/A

ID: 110440

ethyl (2E)-hex-2-enoate

$$$$ Data More

M. F.

C8H14O2

Suppliers	Catalog Number
Sigma Aldrich	361054
MP Biomedicals	05215036
Alfa Aesar	A15136

Database	Data ID
PubChem	5364778

M. W.

142.19556

CAS

5309-52-4

Similarity

N/A

ID: 110441

2-(dihydroxy-1,3-thiazol-5-yl)acetic acid

$$$$ Data

M. F.

C5H5NO4S

Suppliers	Catalog Number
MP Biomedicals	05215037

Database	Data ID
PubChem	246913

M. W.

175.1625

CAS

6628-19-9

Similarity

N/A

ID: 110442

3-({[(2-cyanoethyl)sulfanyl]oxy}sulfanyl)propanenitrile

$$$$ Data

M. F.

C6H8N2OS2

Suppliers	Catalog Number
MP Biomedicals	05215043

Database	Data ID
PubChem	19101468

M. W.

188.27052

CAS

111-97-7

Similarity

N/A

ID: 110443

({hydroxy[(6-methylheptyl)oxy]phosphoryl}oxy)[(6-methylheptyl)oxy]phosphinic aci...

$$$$ Data

M. F.

C16H36O7P2

Suppliers	Catalog Number
MP Biomedicals	05215044

Database	Data ID
PubChem	534663

M. W.

402.400362

CAS

Similarity

N/A

ID: 110444

[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0

$$$$ Data More

M. F.

C12H20O6

Suppliers	Catalog Number
Sigma Aldrich	D126306 38406
MP Biomedicals	05215045
Alfa Aesar	B24899

Database	Data ID
PubChem	2723629

M. W.

260.2836

CAS

4064-06-6

Similarity

N/A

ID: 110445

6-formyl-2,3-dimethoxybenzoic acid

$$$$ Data

M. F.

C10H10O5

Suppliers	Catalog Number
MP Biomedicals	05215047
Alfa Aesar	L16263
InterBioScreen	BB_NC-0213 STOCK1N-41494

Database	Data ID
PubChem	68210

M. W.

210.1834

CAS

519-05-1

Similarity

N/A

ID: 110446

5-methylhexan-2-amine

$$$$ Data More

M. F.

C7H17N

Suppliers	Catalog Number
Sigma Aldrich	08490
MP Biomedicals	05215049
Alfa Aesar	L08638

Database	Data ID
PubChem	34204

M. W.

115.21658

CAS

28292-43-5

Similarity

N/A

ID: 110447

5,6-dimethyl-1,10-phenanthroline

$$$$ Data

M. F.

C14H12N2

Suppliers	Catalog Number
Sigma Aldrich	301817 41280
MP Biomedicals	05215051

Database	Data ID
PubChem	76357

M. W.

208.25848

CAS

3002-81-1

Similarity

N/A

ID: 110448

1,2-dimethylcyclohexane

$$$$ Data

M. F.

C8H16

Suppliers	Catalog Number
Sigma Aldrich	D153001 39970
MP Biomedicals	05215052
Alfa Aesar	L11113

Database	Data ID
PubChem	11416

M. W.

112.21264

CAS

583-57-3

Similarity

N/A

ID: 110449

2-(dimethylamino)ethyl 2-methylprop-2-enoate

$$$$ Data More

M. F.

C8H15NO2

Suppliers	Catalog Number
Sigma Aldrich	234907
MP Biomedicals	05215067
Alfa Aesar	L13507

Database	Data ID
PubChem	17869

M. W.

157.2102

CAS

2867-47-2

Similarity

N/A

ID: 110450

6-(dimethylamino)hexan-1-ol

$$$$ Data

M. F.

C8H19NO

Suppliers	Catalog Number
MP Biomedicals	05215068

Database	Data ID
PubChem	74623

M. W.

145.24256

CAS

1862-07-3

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