Chembase list of 866358 unique molecular structures

[4-chloro-3-(propylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H13BClNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231435

Database	Data ID
PubChem	44886946

M. W.

241.47912

CAS

871332-93-3

Similarity

N/A

ID: 291502

methyl 4-hydroxy-8-methylquinoline-2-carboxylate

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231400

Database	Data ID
PubChem	22017361

M. W.

217.22064

CAS

849022-03-3

Similarity

N/A

ID: 291503

methyl 4-hydroxy-6-(trifluoromethyl)quinoline-2-carboxylate

$$$$ Data

M. F.

C12H8F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231401
A&J Pharmtech	AJA-O1610

Database	Data ID
PubChem	2741057

M. W.

271.1920296

CAS

123158-31-6

Similarity

N/A

ID: 291504

methyl 4-hydroxy-7-(trifluoromethyl)quinoline-2-carboxylate

$$$$ Data

M. F.

C12H8F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231402

Database	Data ID
PubChem	22017497

M. W.

271.1920296

CAS

1072944-69-4

Similarity

N/A

ID: 291505

methyl 4-hydroxy-8-(trifluoromethyl)quinoline-2-carboxylate

$$$$ Data

M. F.

C12H8F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231403

Database	Data ID
PubChem	46738876

M. W.

271.1920296

CAS

1065074-52-3

Similarity

N/A

ID: 291506

methyl 8-methyl-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate

$$$$ Data

M. F.

C13H10F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231404

Database	Data ID
PubChem	46739171

M. W.

285.2186096

CAS

1187386-20-4

Similarity

N/A

ID: 291507

8-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Bide Pharmatech	BD231405

Database	Data ID
PubChem	5325167

M. W.

159.18456

CAS

4053-36-5

Similarity

N/A

ID: 291508

8-methyl-5-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C11H8F3N

Suppliers	Catalog Number
Bide Pharmatech	BD231406

Database	Data ID
PubChem	11657798

M. W.

211.1831296

CAS

868668-58-0

Similarity

N/A

ID: 291509

4-(5-nitroquinolin-6-yl)cyclohexan-1-ol

$$$$ Data

M. F.

C15H16N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD231407

Database	Data ID
PubChem	46739464

M. W.

272.29914

CAS

1150163-86-2

Similarity

N/A

ID: 291510

2-propoxyquinoline

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD231409

Database	Data ID
PubChem	589339

M. W.

187.23772

CAS

945-83-5

Similarity

N/A

ID: 291511

1-bromo-4-chloro-2-iodo-5-methylbenzene

$$$$ Data

M. F.

C7H5BrClI

Suppliers	Catalog Number
Bide Pharmatech	BD231412

Database	Data ID
PubChem	53216883

M. W.

331.37607

CAS

1255574-71-0

Similarity

N/A

ID: 291512

1-bromo-3-ethoxy-2-iodobenzene

$$$$ Data

M. F.

C8H8BrIO

Suppliers	Catalog Number
Bide Pharmatech	BD231413

Database	Data ID
PubChem	45480372

M. W.

326.95699

CAS

1072944-94-5

Similarity

N/A

ID: 291513

1-bromo-2-fluoro-4-iodo-5-nitrobenzene

$$$$ Data

M. F.

C6H2BrFINO2

Suppliers	Catalog Number
Bide Pharmatech	BD231414

Database	Data ID
PubChem	53216851

M. W.

345.8924532

CAS

1226808-77-0

Similarity

N/A

ID: 291514

1-bromo-5-fluoro-4-iodo-2-nitrobenzene

$$$$ Data

M. F.

C6H2BrFINO2

Suppliers	Catalog Number
Bide Pharmatech	BD231415

Database	Data ID
PubChem	45480412

M. W.

345.8924532

CAS

1187385-70-1

Similarity

N/A

ID: 291515

2-(3-chloro-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H18BClO3

Suppliers	Catalog Number
Bide Pharmatech	BD231417

Database	Data ID
PubChem	46739618

M. W.

268.54422

CAS

929626-16-4

Similarity

N/A

ID: 291516

2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H18BClO3

Suppliers	Catalog Number
Bide Pharmatech	BD231418

Database	Data ID
PubChem	22240282

M. W.

268.54422

CAS

627525-96-6

Similarity

N/A

ID: 291517

6-chloro-1-methyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

$$$$ Data

M. F.

C15H19BClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231419

Database	Data ID
PubChem	46739130

M. W.

291.58086

CAS

1073353-82-8

Similarity

N/A

ID: 291518

2-[3-chloro-5-(methylsulfanyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H18BClO2S

Suppliers	Catalog Number
Bide Pharmatech	BD231425

Database	Data ID
PubChem	53217245

M. W.

284.60982

CAS

1256360-24-3

Similarity

N/A

ID: 291519

4-[2-chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]morpholine

$$$$ Data

M. F.

C17H23BClNO4

Suppliers	Catalog Number
Bide Pharmatech	BD231427

Database	Data ID
PubChem	56737704

M. W.

351.63282

CAS

1092563-48-8

Similarity

N/A

ID: 291520

tert-butyl 2-iodobenzoate

$$$$ Data

M. F.

C11H13IO2

Suppliers	Catalog Number
Bide Pharmatech	BD231439

Database	Data ID
PubChem	11438134

M. W.

304.12419

CAS

110349-26-3

Similarity

N/A

ID: 291521

tert-butyl 3-iodobenzoate

$$$$ Data

M. F.

C11H13IO2

Suppliers	Catalog Number
Bide Pharmatech	BD231440

Database	Data ID
PubChem	18386959

M. W.

304.12419

CAS

173406-17-2

Similarity

N/A

ID: 291522

7-chloro-3-iodo-1H-indazole

$$$$ Data

M. F.

C7H4ClIN2

Suppliers	Catalog Number
Bide Pharmatech	BD231441
A&J Pharmtech	AJA-O23746

Database	Data ID
PubChem	24728215

M. W.

278.47753

CAS

885522-00-9

Similarity

N/A

ID: 291523

5-cyclopropyl-3-iodo-1H-pyrazole

$$$$ Data

M. F.

C6H7IN2

Suppliers	Catalog Number
Bide Pharmatech	BD231442

Database	Data ID
PubChem	53216917

M. W.

234.03765

CAS

1218791-06-0

Similarity

N/A

ID: 291524

1-ethyl-3-iodo-1H-pyrazole

$$$$ Data

M. F.

C5H7IN2

Suppliers	Catalog Number
Bide Pharmatech	BD231443

Database	Data ID
PubChem	50998944

M. W.

222.02695

CAS

1202781-34-7

Similarity

N/A

ID: 291525

3-(2-iodophenyl)benzoic acid

$$$$ Data

M. F.

C13H9IO2

Suppliers	Catalog Number
Bide Pharmatech	BD231444

Database	Data ID
PubChem	53216611

M. W.

324.11383

CAS

855254-47-6

Similarity

N/A

ID: 291526

3-(3-iodophenyl)benzoic acid

$$$$ Data

M. F.

C13H9IO2

Suppliers	Catalog Number
Bide Pharmatech	BD231445

Database	Data ID
PubChem	53216610

M. W.

324.11383

CAS

1215206-40-8

Similarity

N/A

ID: 291527

3-iodo-1-propyl-1H-pyrazole

$$$$ Data

M. F.

C6H9IN2

Suppliers	Catalog Number
Bide Pharmatech	BD231451

Database	Data ID
PubChem	54759104

M. W.

236.05353

CAS

1334500-09-2

Similarity

N/A

ID: 291528

5-iodo-1-(oxan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C8H11IN2O

Suppliers	Catalog Number
Bide Pharmatech	BD231453

Database	Data ID
PubChem	54759103

M. W.

278.09021

CAS

1311197-82-6

Similarity

N/A

ID: 291529

4-iodo-3-(trifluoromethyl)-1H-pyrazole

$$$$ Data

M. F.

C4H2F3IN2

Suppliers	Catalog Number
Bide Pharmatech	BD231454

Database	Data ID
PubChem	16069792

M. W.

261.9717596

CAS

866638-72-4

Similarity

N/A

ID: 291530

1-ethenyl-4-iodo-1H-pyrazole

$$$$ Data

M. F.

C5H5IN2

Suppliers	Catalog Number
ChemBridge	4028702
Bide Pharmatech	BD231455

Database	Data ID
PubChem	37134541

M. W.

220.01107

CAS

1175788-58-5

Similarity

N/A

ID: 291531

methyl 2-iodo-5-nitrobenzoate

$$$$ Data

M. F.

C8H6INO4

Suppliers	Catalog Number
Bide Pharmatech	BD231457

Database	Data ID
PubChem	11415548

M. W.

307.04201

CAS

112239-00-6

Similarity

N/A

ID: 291532

(3R)-4-(benzyloxy)-3-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid

$$$$ Data

M. F.

C16H21NO6

Suppliers	Catalog Number
Bide Pharmatech	BD23146

Database	Data ID
PubChem	11759109

M. W.

323.34104

CAS

92828-64-3

Similarity

N/A

ID: 291533

N-(2-cyanoethyl)-4-(1,3,2-dioxaborinan-2-yl)benzamide

$$$$ Data

M. F.

C13H15BN2O3

Suppliers	Catalog Number
Bide Pharmatech	BD231461

Database	Data ID
PubChem	46738966

M. W.

258.0808

CAS

1073372-08-3

Similarity

N/A

ID: 291534

[3-(2-cyanoethyl)phenyl]boronic acid

$$$$ Data

M. F.

C9H10BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231462

Database	Data ID
PubChem	53216361

M. W.

174.9922

CAS

1218790-58-9

Similarity

N/A

ID: 291535

[4-(2-cyanoethyl)phenyl]boronic acid

$$$$ Data

M. F.

C9H10BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231463

Database	Data ID
PubChem	53216338

M. W.

174.9922

CAS

905971-98-4

Similarity

N/A

ID: 291536

5-fluoro-2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

$$$$ Data

M. F.

C14H17BFNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231465

Database	Data ID
PubChem	53217167

M. W.

261.0996832

CAS

1192023-08-7

Similarity

N/A

ID: 291537

2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile

$$$$ Data

M. F.

C15H17BN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD231466

Database	Data ID
PubChem	53217127

M. W.

268.11868

CAS

1256359-19-9

Similarity

N/A

ID: 291538

2-[5-methoxy-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile

$$$$ Data

M. F.

C15H20BNO4

Suppliers	Catalog Number
Bide Pharmatech	BD231468

Database	Data ID
PubChem	53217194

M. W.

289.1346

CAS

1256359-92-8

Similarity

N/A

ID: 291539

[2-(cyanomethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231469

Database	Data ID
PubChem	45158887

M. W.

176.96502

CAS

947533-29-1

Similarity

N/A

ID: 291540

(2-cyano-3-methoxyphenyl)boronic acid

$$$$ Data

M. F.

C8H8BNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231470
A&J Pharmtech	AJA-O20068

Database	Data ID
PubChem	53216734

M. W.

176.96502

CAS

1164100-84-8

Similarity

N/A

ID: 291541

[4-(cyanomethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231472

Database	Data ID
PubChem	21918429

M. W.

176.96502

CAS

947533-23-5

Similarity

N/A

ID: 291542

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile

$$$$ Data

M. F.

C13H16BNO3

Suppliers	Catalog Number
Bide Pharmatech	BD231473

Database	Data ID
PubChem	11687396

M. W.

245.08204

CAS

883899-02-3

Similarity

N/A

ID: 291543

(4-cyano-3-methylphenyl)boronic acid

$$$$ Data

M. F.

C8H8BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231474

Database	Data ID
PubChem	53216294

M. W.

160.96562

CAS

856255-58-8

Similarity

N/A

ID: 291544

[3-cyano-5-(trifluoromethyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H5BF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD231477

Database	Data ID
PubChem	56776695

M. W.

214.9370096

CAS

1212021-62-9

Similarity

N/A

ID: 291545

2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C13H13BF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD231478

Database	Data ID
PubChem	11536491

M. W.

283.0540296

CAS

883898-98-4

Similarity

N/A

ID: 291546

2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C14H15BF3NO2

Suppliers	Catalog Number
Bide Pharmatech	BD231479

Database	Data ID
PubChem	56973107

M. W.

297.0806096

CAS

863868-28-4

Similarity

N/A

ID: 291547

[2-(1-cyanoeth-1-en-1-yl)phenyl]boronic acid

$$$$ Data

M. F.

C9H8BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD231480

Database	Data ID
PubChem	70700191

M. W.

172.97632

CAS

850568-63-7

Similarity

N/A

ID: 291548

2-(cyclohept-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H23BO2

Suppliers	Catalog Number
Bide Pharmatech	BD231482

Database	Data ID
PubChem	15486609

M. W.

222.13152

CAS

287944-13-2

Similarity

N/A

ID: 291549

2-cycloheptyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C13H25BO2

Suppliers	Catalog Number
Bide Pharmatech	BD231483

Database	Data ID
PubChem	53217091

M. W.

224.1474

CAS

931583-43-6

Similarity

N/A

ID: 291550

tert-butyl 7-methoxy-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H17NO3

Suppliers	Catalog Number
Bide Pharmatech	BD231492

Database	Data ID
PubChem	49758862

M. W.

247.28968

CAS

1215205-77-8

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