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U1V
U1V
表記:1-(4-fluoro-2-methylphenyl)methanesulfonamide
組成式:C8 H10 F N O2 S
SMILES:c1cc(CS(N)(=O)=O)c(C)cc1F
InChi:InChI=1S/C8H10FNO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
定義日:2020-04-08
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:1-(4-fluoro-2-methylphenyl)methanesulfonamide
L3Q
L3Q
表記:(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
組成式:C6 H10 N2 O2
SMILES:O=C1OC[CH]2CNCCN12
InChi:InChI=1S/C6H10N2O2/c9-6-8-2-1-7-3-5(8)4-10-6/h5,7H,1-4H2/t5-/m0/s1
定義日:2019-07-18
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:(8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
JUT
JUT
表記:4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
組成式:C9 H6 F2 N2 S
SMILES:Nc1scc(n1)c2ccc(F)c(F)c2
InChi:InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
定義日:2019-04-02
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine
KB5
KB5
表記:6-azanyl-9~{H}-purine-8-thiol
組成式:C5 H5 N5 S
SMILES:Nc1ncnc2[nH]c(S)nc12
InChi:InChI=1S/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
定義日:2019-05-09
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:6-azanyl-9~{H}-purine-8-thiol
KBB
KBB
表記:2,5-bis(fluoranyl)benzenesulfonamide
組成式:C6 H5 F2 N O2 S
SMILES:N[S](=O)(=O)c1cc(F)ccc1F
InChi:InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)
定義日:2019-05-09
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2,5-bis(fluoranyl)benzenesulfonamide
KBN
KBN
表記:2-(trifluoromethyl)-9~{H}-purine-6-thiol
組成式:C6 H3 F3 N4 S
SMILES:FC(F)(F)c1nc(S)c2nc[nH]c2n1
InChi:InChI=1S/C6H3F3N4S/c7-6(8,9)5-12-3-2(4(14)13-5)10-1-11-3/h1H,(H2,10,11,12,13,14)
定義日:2019-05-10
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2-(trifluoromethyl)-9~{H}-purine-6-thiol
KBQ
KBQ
表記:2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
組成式:C6 H5 N3 O S
SMILES:O=C1NC(=S)Nc2[nH]ccc12
InChi:InChI=1S/C6H5N3OS/c10-5-3-1-2-7-4(3)8-6(11)9-5/h1-2H,(H3,7,8,9,10,11)
定義日:2019-05-10
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
KBZ
KBZ
表記:4-cyanobenzenesulfonamide
組成式:C7 H6 N2 O2 S
SMILES:N[S](=O)(=O)c1ccc(cc1)C#N
InChi:InChI=1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11)
定義日:2019-05-10
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:4-cyanobenzenesulfonamide
SXG
SXG
表記:2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide
組成式:C12 H3 F9 N2 O4 S2
SMILES:N[S](=O)(=O)c1c(F)c(F)c(N[S](=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChi:InChI=1S/C12H3F9N2O4S2/c13-1-2(14)6(18)12(7(19)3(1)15)29(26,27)23-10-4(16)8(20)11(28(22,24)25)9(21)5(10)17/h23H,(H2,22,24,25)
定義日:2019-07-26
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2,3,5,6-tetrakis(fluoranyl)-4-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]benzenesulfonamide
KD8
KD8
表記:6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
組成式:C8 H8 N4 O S
SMILES:Cc1nc2NC(=S)NC(=O)c2nc1C
InChi:InChI=1S/C8H8N4OS/c1-3-4(2)10-6-5(9-3)7(13)12-8(14)11-6/h1-2H3,(H2,10,11,12,13,14)
定義日:2019-05-14
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:6,7-dimethyl-2-sulfanylidene-1~{H}-pteridin-4-one
L7T
L7T
表記:2,3,4,5,6-pentafluorobenzenesulfonamide
組成式:C6 H2 F5 N O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)c(F)c(F)c1F
InChi:InChI=1S/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)
定義日:2019-07-26
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2,3,4,5,6-pentakis(fluoranyl)benzenesulfonamide
QZ1
QZ1
表記:2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
組成式:C19 H22 F N O2
SMILES:c1cc(c(c(F)c1)C(O)=O)Nc2cccc(c2)CCCCCC
InChi:InChI=1S/C19H22FNO2/c1-2-3-4-5-8-14-9-6-10-15(13-14)21-17-12-7-11-16(20)18(17)19(22)23/h6-7,9-13,21H,2-5,8H2,1H3,(H,22,23)
定義日:2020-01-15
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid
KFH
KFH
表記:2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
組成式:C6 H3 F4 N O2 S
SMILES:N[S](=O)(=O)c1c(F)c(F)cc(F)c1F
InChi:InChI=1S/C6H3F4NO2S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H2,11,12,13)
定義日:2019-05-20
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
L9Z
L9Z
表記:(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
組成式:C8 H15 N O5
SMILES:NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O
InChi:InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1
定義日:2019-08-01
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
S6V
S6V
表記:1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
組成式:C13 H17 N3 O2
SMILES:O=C(NCCN1CCCC1=O)Nc2ccccc2
InChi:InChI=1S/C13H17N3O2/c17-12-7-4-9-16(12)10-8-14-13(18)15-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,15,18)
定義日:2020-03-04
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea
O3Z
O3Z
表記:(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
組成式:C11 H17 N2 O8 P
SMILES:Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO)C(O)=O)c1O
InChi:InChI=1S/C11H17N2O8P/c1-6-10(15)8(3-13-9(4-14)11(16)17)7(2-12-6)5-21-22(18,19)20/h2,9,13-15H,3-5H2,1H3,(H,16,17)(H2,18,19,20)/t9-/m1/s1
定義日:2020-01-28
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:(2~{R})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-propanoic acid
KGK
KGK
表記:2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
組成式:C7 H5 F4 N O2 S
SMILES:Cc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:InChI=1S/C7H5F4NO2S/c1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9/h1H3,(H2,12,13,14)
定義日:2019-05-21
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide
KJ5
KJ5
表記:4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
組成式:C8 H7 F4 N O2 S
SMILES:CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O
InChi:InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)
定義日:2019-05-22
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide
QBM
QBM
表記:6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
組成式:C7 H11 N3 O S
SMILES:CCCSc1nnc(c(O)n1)C
InChi:InChI=1S/C7H11N3OS/c1-3-4-12-7-8-6(11)5(2)9-10-7/h3-4H2,1-2H3,(H,8,10,11)
定義日:2019-10-10
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol
QBP
QBP
表記:5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
組成式:C8 H5 F3 N4
SMILES:C(F)(F)(c2ccc(c1nnnn1)cc2)F
InChi:InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
定義日:2019-10-10
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:5-[4-(trifluoromethyl)phenyl]-1H-tetrazole
QBS
QBS
表記:(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
組成式:C10 H8 Cl N O
SMILES:CC(C(c1ccc(cc1)Cl)C#N)=O
InChi:InChI=1S/C10H8ClNO/c1-7(13)10(6-12)8-2-4-9(11)5-3-8/h2-5,10H,1H3/t10-/m1/s1
定義日:2019-10-10
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:(2R)-2-(4-chlorophenyl)-3-oxobutanenitrile
KMQ
KMQ
表記:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
組成式:C19 H29 N5 O14 P2
SMILES:CC=CCO[CH]1[CH](O)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O
InChi:InChI=1S/C19H29N5O14P2/c1-2-3-4-33-15-13(26)10(37-19(15)28)6-35-40(31,32)38-39(29,30)34-5-9-12(25)14(27)18(36-9)24-8-23-11-16(20)21-7-22-17(11)24/h2-3,7-10,12-15,18-19,25-28H,4-6H2,1H3,(H,29,30)(H,31,32)(H2,20,21,22)/b3-2+/t9-,10-,12-,13-,14-,15-,18-,19+/m1/s1
定義日:2019-06-08
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
T9J
T9J
表記:Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
組成式:C14 H15 Br N2 O3
SMILES:N(C(Cc1ccc(cc1)O)C(=O)NCC#CBr)C(C)=O
InChi:InChI=1S/C14H15BrN2O3/c1-10(18)17-13(14(20)16-8-2-7-15)9-11-3-5-12(19)6-4-11/h3-6,13,19H,8-9H2,1H3,(H,16,20)(H,17,18)/t13-/m0/s1
定義日:2020-03-18
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
T9M
T9M
表記:N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
組成式:C9 H16 N2 O3
SMILES:N(C(C)=O)C(C(=O)NCC=C)C(C)O
InChi:InChI=1S/C9H16N2O3/c1-4-5-10-9(14)8(6(2)12)11-7(3)13/h4,6,8,12H,1,5H2,2-3H3,(H,10,14)(H,11,13)/t6-,8+/m0/s1
定義日:2020-03-18
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
T9P
T9P
表記:N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide
組成式:C9 H15 N3 O3
SMILES:N(C(CC(N)=O)C(NCC=C)=O)C(C)=O
InChi:InChI=1S/C9H15N3O3/c1-3-4-11-9(15)7(5-8(10)14)12-6(2)13/h3,7H,1,4-5H2,2H3,(H2,10,14)(H,11,15)(H,12,13)/t7-/m0/s1
定義日:2020-03-18
最終更新日:2020-04-10
公開日:2020-04-15
識別子（ID）:N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide

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