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    O HO O N N H 3 C CH 3 H 3 C CH 3 CH 3
    E80
    Name:6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
    Formula:C21 H28 N2 O3
    SMILES:CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c2ccc(cn2)C(O)=O
    InChi:InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
    Definition date:2019-11-19
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:6-[ethyl-[3-(2-methylpropoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
    H 3 C O HO O O N N CH 3 CH 3 CH 3
    E8L
    Name:6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
    Formula:C20 H26 N2 O4
    SMILES:CCN(c1ccc(C(C)C)c(OCCOC)c1)c2ccc(cn2)C(O)=O
    InChi:InChI=1S/C20H26N2O4/c1-5-22(19-9-6-15(13-21-19)20(23)24)16-7-8-17(14(2)3)18(12-16)26-11-10-25-4/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,24)
    Definition date:2019-11-19
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:6-[ethyl-[3-(2-methoxyethoxy)-4-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
    O HO O N N H 3 C CH 3 H 3 C CH 3 CH 3
    E8O
    Name:6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
    Formula:C21 H28 N2 O3
    SMILES:CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c2ccc(cn2)C(O)=O
    InChi:InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
    Definition date:2019-11-19
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid
    O H 3 C H 3 C O OH OH P O HO P O CH 3 H 3 C H 3 C
    ELR
    Name:phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
    Formula:C20 H38 O7 P2
    SMILES:C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
    InChi:InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m0/s1
    Definition date:2020-01-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:phosphono [(3~{S},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
    H 3 C CH 3 H 3 C H 3 C O H 3 C O OH OH O P O HO P
    ELU
    Name:phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
    Formula:C20 H38 O7 P2
    SMILES:C[CH](CCO[P](O)(=O)O[P](O)(O)=O)CCC=C(C)CCC=C(C)CCC=C(C)C
    InChi:InChI=1S/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,20H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+/t20-/m1/s1
    Definition date:2020-01-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:phosphono [(3~{R},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-6,10,14-trienyl] hydrogen phosphate
    OH CH 3 CH 3 CH 3 CH 3 H 3 C
    ELX
    Name:(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
    Formula:C20 H34 O
    SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
    InChi:InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
    Definition date:2020-01-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
    H 2 N O OH O OH HO OH
    F8F
    Name:(2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
    Formula:C6 H11 N O6
    SMILES:N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O
    InChi:InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1
    Definition date:2020-04-14
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S},5~{S})-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
    NH 2 O O OH HO HO OH
    F8X
    Name:2-amino-2-deoxy-beta-D-altropyranuronic acid
    Formula:C6 H11 N O6
    SMILES:NC1C(O)C(O)C(C(O)=O)OC1O
    InChi:InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3-,4-,6+/m0/s1
    Definition date:2020-04-16
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:2-amino-2-deoxy-beta-D-altropyranuronic acid
    NH 2 OH OH O Cl HO
    F93
    Name:(2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
    Formula:C9 H10 Cl N O4
    SMILES:N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O
    InChi:InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8+/m1/s1
    Definition date:2020-04-16
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{R},3~{S})-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
    OH OH OH O O N H O HN
    FJF
    Name:5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
    Formula:C9 H12 N2 O6
    SMILES:OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O
    InChi:InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
    Definition date:2020-05-20
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
    OH O NH NH 2 N O N N OH HO O CH 3 O OH P
    GMX
    Name:2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
    Formula:C11 H16 N5 O8 P
    SMILES:OP(OC(C1C(C(C(O1)n2c3c(nc2)C(N=C(N)N3)=O)O)O)C)(=O)O
    InChi:InChI=1S/C11H16N5O8P/c1-3(24-25(20,21)22)7-5(17)6(18)10(23-7)16-2-13-4-8(16)14-11(12)15-9(4)19/h2-3,5-7,10,17-18H,1H3,(H2,20,21,22)(H3,12,14,15,19)/t3-,5+,6-,7-,10-/m1/s1
    Definition date:2020-01-06
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:2-amino-9-(6-deoxy-5-O-phosphono-beta-D-allofuranosyl)-3,9-dihydro-6H-purin-6-one
    O NH 2 N NH NH 2 O
    K73
    Name:(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
    Formula:C22 H28 N4 O2
    SMILES:NCc1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](N)Cc3ccccc3)cc1
    InChi:InChI=1S/C22H28N4O2/c23-14-17-8-10-18(11-9-17)15-25-21(27)20-7-4-12-26(20)22(28)19(24)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20H,4,7,12-15,23-24H2,(H,25,27)/t19-,20+/m1/s1
    Definition date:2019-10-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide
    HN OH P O OH O O O HO O N
    L2B
    Name:3'-DEOXYURIDINE-5'-MONOPHOSPHATE
    Formula:C9 H13 N2 O8 P
    SMILES:O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O
    InChi:InChI=1S/C9H13N2O8P/c12-6-3-5(4-18-20(15,16)17)19-8(6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
    Synonyms:[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    Definition date:2019-07-16
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    OH O O NH 2 N H
    LBZ
    Name:(2~{S})-2-azanyl-6-benzamido-hexanoic acid
    Formula:C13 H18 N2 O3
    SMILES:N[CH](CCCCNC(=O)c1ccccc1)C(O)=O
    InChi:InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1
    Definition date:2020-01-22
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S})-2-azanyl-6-benzamido-hexanoic acid
    S OH OH HO O O + N N N NH CH 3 H 3 C
    M9W
    Name:Enmetazobactam derived trans-enamine adduct.
    Formula:C11 H19 N4 O5 S
    SMILES:C[n+]1ccn(C[C](C)([CH](NC=CC=O)C(O)=O)[SH](O)O)n1
    InChi:InChI=1S/C11H18N4O5S/c1-11(21(19)20,8-15-6-5-14(2)13-15)9(10(17)18)12-4-3-7-16/h3-7,9,21H,8H2,1-2H3,(H3-,12,16,17,18,19,20)/p+1/t9-,11-/m0/s1
    Definition date:2019-10-10
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S},3~{S})-3-[bis(oxidanyl)-$l^{4}-sulfanyl]-3-methyl-4-(3-methyl-1,2,3-triazol-3-ium-1-yl)-2-[[(~{E})-3-oxidanylideneprop-1-enyl]amino]butanoic acid
    HO O NH 2 NH N O
    MD8
    Name:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
    Formula:C21 H25 N3 O3
    SMILES:N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(O)cc3
    InChi:InChI=1S/C21H25N3O3/c22-18(13-15-5-2-1-3-6-15)21(27)24-12-4-7-19(24)20(26)23-14-16-8-10-17(25)11-9-16/h1-3,5-6,8-11,18-19,25H,4,7,12-14,22H2,(H,23,26)/t18-,19+/m1/s1
    Definition date:2019-10-11
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
    HO CH 3 CH 3 CH 3 CH 3 H 3 C
    MHQ
    Name:desmosterol
    Formula:C27 H44 O
    SMILES:C[CH](CCC=C(C)C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
    InChi:InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
    Definition date:2019-10-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
    N N H N O NH 2 HN O
    MJH
    Name:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide
    Formula:C19 H25 N5 O2
    SMILES:N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCCc3c[nH]cn3
    InChi:InChI=1S/C19H25N5O2/c20-16(11-14-5-2-1-3-6-14)19(26)24-10-4-7-17(24)18(25)22-9-8-15-12-21-13-23-15/h1-3,5-6,12-13,16-17H,4,7-11,20H2,(H,21,23)(H,22,25)/t16-,17+/m1/s1
    Definition date:2019-10-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide
    Br S O HN N O NH 2
    MJK
    Name:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
    Formula:C19 H22 Br N3 O2 S
    SMILES:N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3sc(Br)cc3
    InChi:InChI=1S/C19H22BrN3O2S/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
    Definition date:2019-10-15
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
    N Br OH CH 3 H 3 C H 3 C N O O
    MLH
    Name:ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
    Formula:C20 H21 Br N2 O3
    SMILES:CCOC(=O)c1c(CN(C)C)n(c2ccccc2)c3cc(Br)c(O)cc13
    InChi:InChI=1S/C20H21BrN2O3/c1-4-26-20(25)19-14-10-18(24)15(21)11-16(14)23(17(19)12-22(2)3)13-8-6-5-7-9-13/h5-11,24H,4,12H2,1-3H3
    Definition date:2019-10-17
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:ethyl 6-bromanyl-2-[(dimethylamino)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate
    + S S + S S Fe Fe Fe Fe
    MSK
    Name:Broken Fe4S4 cluster
    Formula:Fe4 S4
    SMILES:[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
    InChi:InChI=1S/4Fe.4S/q
    Definition date:2019-10-22
    Last modified:2020-11-13
    Release date:2020-11-18
    O O N N N N H N H
    MU5
    Name:~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
    Formula:C20 H23 N5 O2
    SMILES:O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)N4CCCCC4
    InChi:InChI=1S/C20H23N5O2/c26-19(23-16-12-14-6-2-3-7-15(14)13-16)17-18(22-9-8-21-17)24-20(27)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-13H2,(H,23,26)(H,22,24,27)
    Definition date:2019-10-22
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
    NH H 3 C N NH NH 2 HN O O HO O O S H 3 C N O
    MUQ
    Name:4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide
    Formula:C29 H34 N6 O6 S
    SMILES:CNC(=O)N1CCN(CC1)C(=O)[CH](Cc2cccc(c2)C(N)=N)N[S](=O)(=O)c3cccc(c3)c4ccc(OC)cc4O
    InChi:InChI=1S/C29H34N6O6S/c1-32-29(38)35-13-11-34(12-14-35)28(37)25(16-19-5-3-7-21(15-19)27(30)31)33-42(39,40)23-8-4-6-20(17-23)24-10-9-22(41-2)18-26(24)36/h3-10,15,17-18,25,33,36H,11-14,16H2,1-2H3,(H3,30,31)(H,32,38)/t25-/m0/s1
    Definition date:2019-10-24
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide
    N NH HN H 2 N O O O O O P S HN OH
    MUZ
    Name:[(~{R})-(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
    Formula:C35 H44 N5 O6 P S
    SMILES:NC(=N)c1ccc(cc1)[CH](NC(=O)[CH]2CCCN2C(=O)[CH](CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4)[P](O)Oc5ccccc5
    InChi:InChI=1S/C35H44N5O6PS/c36-32(37)27-18-20-28(21-19-27)34(47(43)46-29-15-8-3-9-16-29)38-33(41)31-17-10-22-40(31)35(42)30(23-25-11-4-1-5-12-25)39-48(44,45)24-26-13-6-2-7-14-26/h2-3,6-9,13-16,18-21,25,30-31,34,39,43H,1,4-5,10-12,17,22-24H2,(H3,36,37)(H,38,41)/t30-,31+,34-,47-/m1/s1
    Definition date:2019-10-24
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:[(4-carbamimidoylphenyl)-[[(2~{S})-1-[(2~{R})-3-cyclohexyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]methyl]-phenoxy-phosphinous acid
    H 2 N N S NH N O O N N + N H 3 C
    MWT
    Name:1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
    Formula:C29 H36 N7 O2 S
    SMILES:C[n+]1nn(cc1CCCCN)c2ccc(c(OCCN3CCNC3=O)c2)c4scc(CCc5ccccc5)n4
    InChi:InChI=1S/C29H35N7O2S/c1-34-25(9-5-6-14-30)20-36(33-34)24-12-13-26(27(19-24)38-18-17-35-16-15-31-29(35)37)28-32-23(21-39-28)11-10-22-7-3-2-4-8-22/h2-4,7-8,12-13,19-21H,5-6,9-11,14-18,30H2,1H3/p+1
    Definition date:2019-10-28
    Last modified:2020-11-13
    Release date:2020-11-18
    Identifier:1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one
    171313
    건을2020-11-18부터공개중