Chembase list of 866358 unique molecular structures

1-{[(3,4-dimethoxyphenyl)methyl]amino}propan-2-ol

$$$$ Data

M. F.

C12H19NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1144

Database	Data ID
PubChem	2772038

M. W.

225.28416

CAS

Similarity

N/A

ID: 121402

2-isothiocyanatobicyclo[2.2.1]heptane

$$$$ Data

M. F.

C8H11NS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1151

Database	Data ID
PubChem	86759

M. W.

153.24464

CAS

Similarity

N/A

ID: 121403

5-(4-acetylphenyl)furan-2-carbaldehyde

$$$$ Data

M. F.

C13H10O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1156
Enamine	EN300-01094

Database	Data ID
PubChem	2063418

M. W.

214.2167

CAS

57268-39-0

Similarity

N/A

ID: 121404

sodium hydrogen [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonate

$$$$ Data

M. F.

C7H10NNaO7P2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1157
TRC	R521500

Database	Data ID
PubChem	4194514

M. W.

305.094092

CAS

115436-72-1

Similarity

N/A

ID: 121405

(2Z)-3-acetamido-3-phenylprop-2-enoic acid

$$$$ Data

M. F.

C11H11NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1164

Database	Data ID
PubChem	5708349

M. W.

205.20994

CAS

Similarity

N/A

ID: 121406

3-amino-1,2,3,4-tetrahydroquinazoline-2,4-dione

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1165
Enamine	EN300-05863

Database	Data ID
PubChem	968929

M. W.

177.16008

CAS

30386-01-7

Similarity

N/A

ID: 121407

3-hydroxy-2-methyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1166

Database	Data ID
PubChem	351530

M. W.

176.17202

CAS

Similarity

N/A

ID: 121408

3-hydroxy-2-(phenoxymethyl)-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C15H12N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1167

Database	Data ID
PubChem	946768

M. W.

268.26738

CAS

Similarity

N/A

ID: 121409

5-methyl-11-nitro-2-thia-4,6,7-triazatricyclo[7.4.0.0³,⁷]t...

$$$$ Data

M. F.

C10H8N4O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1170

Database	Data ID
PubChem	3153942

M. W.

264.26052

CAS

Similarity

N/A

ID: 121410

5-nitro-2-(pyrimidin-2-ylsulfanyl)benzaldehyde

$$$$ Data

M. F.

C11H7N3O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1171

Database	Data ID
PubChem	891941

M. W.

261.25658

CAS

Similarity

N/A

ID: 121411

3-nitro-4-(pyrimidin-2-ylsulfanyl)benzaldehyde

$$$$ Data

M. F.

C11H7N3O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1172
Enamine	EN300-04336

Database	Data ID
PubChem	893860

M. W.

261.25658

CAS

Similarity

N/A

ID: 121412

2-(bromomethyl)-1,3-dioxepane

$$$$ Data

M. F.

C6H11BrO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1174

Database	Data ID
PubChem	944091

M. W.

195.05434

CAS

Similarity

N/A

ID: 121413

5,5-dimethyl-1,2,4,5-tetrahydrospiro[2-benzazepine-3,1'-cyclohexane] hydrochlori...

$$$$ Data

M. F.

C17H26ClN

Suppliers	Catalog Number
InterBioScreen	BB_SC-1175 STOCK1N-68864

Database	Data ID
PubChem	44784788

M. W.

279.84804

CAS

Similarity

N/A

ID: 121414

(furan-2-ylmethyl)(oxolan-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C10H16ClNO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1177

Database	Data ID
PubChem	17331078

M. W.

217.69254

CAS

Similarity

N/A

ID: 121415

[(2,3-dimethoxyphenyl)methyl](prop-2-en-1-yl)amine

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1179

Database	Data ID
PubChem	2772045

M. W.

207.26888

CAS

Similarity

N/A

ID: 121416

[(2,5-dimethoxyphenyl)methyl](prop-2-en-1-yl)amine

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1180

Database	Data ID
PubChem	2772046

M. W.

207.26888

CAS

Similarity

N/A

ID: 121417

2-{[(2,5-dimethoxyphenyl)methyl]amino}butan-1-ol

$$$$ Data

M. F.

C13H21NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1181

Database	Data ID
PubChem	2772047

M. W.

239.31074

CAS

Similarity

N/A

ID: 121418

2-(2-{[(2,3-dimethoxyphenyl)methyl]amino}ethoxy)ethan-1-ol hydrochloride

$$$$ Data

M. F.

C13H22ClNO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1182

Database	Data ID
PubChem	6602758

M. W.

291.77108

CAS

Similarity

N/A

ID: 121419

3-[(2-methylhex-5-en-3-yl)amino]propan-1-ol

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-1186

Database	Data ID
PubChem	2772048

M. W.

171.27984

CAS

Similarity

N/A

ID: 121420

(furan-2-ylmethyl)[1-(4-methoxyphenyl)-3-methylbut-3-en-1-yl]amine; oxalic acid

$$$$ Data

M. F.

C19H23NO6

Suppliers	Catalog Number
InterBioScreen	BB_SC-1188

Database	Data ID
PubChem	2942151

M. W.

361.38902

CAS

Similarity

N/A

ID: 121421

N-[1-(furan-2-yl)-3-methylbut-3-en-1-yl]-4-methoxyaniline hydrochloride

$$$$ Data

M. F.

C16H20ClNO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1189

Database	Data ID
PubChem	44655782

M. W.

293.7885

CAS

Similarity

N/A

ID: 121422

3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,

$$$$ Data

M. F.

C18H19NO5

Suppliers	Catalog Number
InterBioScreen	BB_SC-1191

Database	Data ID
PubChem	655812

M. W.

329.34716

CAS

Similarity

N/A

ID: 121423

1-[(naphthalen-1-ylmethyl)amino]propan-2-ol

$$$$ Data

M. F.

C14H17NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-1192

Database	Data ID
PubChem	2772053

M. W.

215.29088

CAS

Similarity

N/A

ID: 121424

N-[1-(2,5-dimethoxyphenyl)but-3-en-1-yl]aniline

$$$$ Data

M. F.

C18H21NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1193

Database	Data ID
PubChem	2772054

M. W.

283.36484

CAS

Similarity

N/A

ID: 121425

N-[1-(3,4-dimethoxyphenyl)but-3-en-1-yl]aniline

$$$$ Data

M. F.

C18H21NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1194

Database	Data ID
PubChem	2772055

M. W.

283.36484

CAS

Similarity

N/A

ID: 121426

4-chloro-N-(furan-2-ylmethyl)aniline

$$$$ Data

M. F.

C11H10ClNO

Suppliers	Catalog Number
InterBioScreen	BB_SC-1195
Enamine	EN300-32899

Database	Data ID
PubChem	968932

M. W.

207.6562

CAS

Similarity

N/A

ID: 121427

2-chloro-N-(furan-2-ylmethyl)aniline

$$$$ Data

M. F.

C11H10ClNO

Suppliers	Catalog Number
InterBioScreen	BB_SC-1196

Database	Data ID
PubChem	968933

M. W.

207.6562

CAS

Similarity

N/A

ID: 121428

butyl(thiophen-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C9H16ClNS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1197

Database	Data ID
PubChem	17289353

M. W.

205.74804

CAS

Similarity

N/A

ID: 121429

4',5',8'-trimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochlo...

$$$$ Data

M. F.

C17H26ClN

Suppliers	Catalog Number
InterBioScreen	BB_SC-1198

Database	Data ID
PubChem	51051840

M. W.

279.84804

CAS

Similarity

N/A

ID: 121430

2-(2-{[(2,5-dimethoxyphenyl)methyl]amino}ethoxy)ethan-1-ol

$$$$ Data

M. F.

C13H21NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1199

Database	Data ID
PubChem	2032454

M. W.

255.31014

CAS

Similarity

N/A

ID: 121431

6-(chloromethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

$$$$ Data

M. F.

C11H12ClN5O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1202
Enamine	EN300-15071

Database	Data ID
PubChem	937086

M. W.

265.69888

CAS

Similarity

N/A

ID: 121432

5-(4-chloro-3-nitrophenyl)furan-2-carbaldehyde

$$$$ Data

M. F.

C11H6ClNO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1205
Enamine	EN300-30934

Database	Data ID
PubChem	944203

M. W.

251.62264

CAS

Similarity

N/A

ID: 121433

1-[4-(2-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one

$$$$ Data

M. F.

C14H21N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1208

Database	Data ID
PubChem	942074

M. W.

247.33604

CAS

Similarity

N/A

ID: 121434

2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C14H11ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1211

Database	Data ID
PubChem	942817

M. W.

258.70294

CAS

Similarity

N/A

ID: 121435

4-{naphtho[2,1-d][1,3]oxazol-2-yl}aniline

$$$$ Data

M. F.

C17H12N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1212

Database	Data ID
PubChem	945436

M. W.

260.28998

CAS

Similarity

N/A

ID: 121436

2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C15H14N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1213

Database	Data ID
PubChem	799478

M. W.

238.28446

CAS

Similarity

N/A

ID: 121437

2-(4-phenylphenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C19H14N2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1214

Database	Data ID
PubChem	721126

M. W.

286.32726

CAS

Similarity

N/A

ID: 121438

2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-amine

$$$$ Data

M. F.

C14H14N4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1216

Database	Data ID
PubChem	721106

M. W.

254.28716

CAS

Similarity

N/A

ID: 121439

(3R,4S)-3,4-dihydroxy-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C4H8O4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1218

Database	Data ID
PubChem	1270002

M. W.

152.16892

CAS

Similarity

N/A

ID: 121440

sodium [(1,1-dioxo-1λ⁶-thiolan-3-yl)carbamothioyl]sulfanide

$$$$ Data

M. F.

C5H8NNaO2S3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1220

Database	Data ID
PubChem	23667425

M. W.

233.30729

CAS

Similarity

N/A

ID: 121441

3-amino-1-(1,1-dioxo-1λ⁶-thiolan-3-yl)thiourea

$$$$ Data

M. F.

C5H11N3O2S2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1221

Database	Data ID
PubChem	2772058

M. W.

209.28974

CAS

Similarity

N/A

ID: 121442

2,2-dimethyl-N-(1-phenylethyl)oxan-4-amine

$$$$ Data

M. F.

C15H23NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-1226

Database	Data ID
PubChem	2772061

M. W.

233.34922

CAS

Similarity

N/A

ID: 121443

1-(2-hydroxyethyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one hydrochloride

$$$$ Data

M. F.

C8H13ClN2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1233

Database	Data ID
PubChem	6603213

M. W.

204.65402

CAS

Similarity

N/A

ID: 121444

3-{10-cyano-11-methyl-13-oxo-1,8-diazatricyclo[7.4.0.0²,⁷]...

$$$$ Data

M. F.

C16H13N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1236

Database	Data ID
PubChem	945617

M. W.

295.29272

CAS

Similarity

N/A

ID: 121445

3-(4-methylphenyl)-1H-pyrazole-5-carbohydrazide

$$$$ Data

M. F.

C11H12N4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1246
Enamine	EN300-41525

Database	Data ID
PubChem	701924

M. W.

216.23918

CAS

Similarity

N/A

ID: 121446

3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol hydrochlor...

$$$$ Data More

M. F.

C17H20ClN3O

Suppliers	Catalog Number
Sigma Aldrich	P7547 77790
InterBioScreen	BB_SC-1253
TRC	P302550

Database	Data ID
PubChem	5702144

M. W.

317.8132

CAS

26786

Similarity

N/A

ID: 121447

7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquin...

$$$$ Data More

M. F.

C17H17ClFN3O3

Suppliers	Catalog Number
Selleck Chemicals	S4006
InterBioScreen	BB_SC-1255
TRC	C579000

Database	Data ID
PubChem	60063

M. W.

365.7865832

CAS

105956-99-8

Similarity

N/A

ID: 121448

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate

$$$$ Data

M. F.

C13H14N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1261
Enamine	EN300-110881

Database	Data ID
PubChem	589142

M. W.

246.26186

CAS

Similarity

N/A

ID: 121449

5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C7H6N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1264

Database	Data ID
PubChem	170425

M. W.

194.14754

CAS

Similarity

N/A

ID: 121450

4-(chloromethyl)-6-(1,2,3,4-tetrahydroquinolin-1-yl)-1,3,5-triazin-2-amine

$$$$ Data

M. F.

C13H14ClN5

Suppliers	Catalog Number
InterBioScreen	BB_SC-1266

Database	Data ID
PubChem	943907

M. W.

275.73676

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