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L -谷氨酸-2,3,3,4,4-d5分子式: C5H4D5NO4 分子量: 152.16IUPAC Name: (2S)-2-amino-2,3,3,4,4-pentadeuteriopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-NKXUJHECSA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i1D2,2D2,3D
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乙酰水杨酸-d4CAS号 : 97781-16-3 Compound CID : 46780045分子式: C9H4D4O4 分子量: 184.18IUPAC Name: 2-acetyloxy-3,4,5,6-tetradeuteriobenzoic acidSMILES: CC(=O)OC1=CC=CC=C1C(=O)OInChIKey: BSYNRYMUTXBXSQ-QFFDRWTDSA-NInChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/i2D,3D,4D,5D
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尼美舒利-d5CAS号 : 1330180-22-7 Compound CID : 71750951分子式: C13H7D5N2O5S 分子量: 313.34IUPAC Name: N-[4-nitro-2-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methanesulfonamideSMILES: CS(NC(C=CC([N+]([O-])=O)=C1)=C1OC2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])(=O)=OInChIKey: HYWYRSMBCFDLJT-VIQYUKPQSA-NInChI: InChI=1S/C13H12N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h2-9,14H,1H3/i2D,3D,4D,5D,6D
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犬尿酸-d5CAS号 : 350820-13-2分子式: C10H2D5NO3 分子量: 194.20IUPAC Name: 3,5,6,7,8-pentadeuterio-4-hydroxyquinoline-2-carboxylic acidSMILES: C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)OInChIKey: HCZHHEIFKROPDY-RALIUCGRSA-NInChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
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达沙替尼-d8CAS号 : 1132093-70-9 Compound CID : 25226418分子式: C22H18D8ClN7O2S 分子量: 496.05IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideSMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCOInChIKey: ZBNZXTGUTAYRHI-COMRDEPKSA-NInChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2
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1-金刚烷-d15-胺CAS号 : 33830-10-3分子式: C10H2D15N 分子量: 166.34IUPAC Name: 2,2,3,4,4,5,6,6,7,8,8,9,9,10,10-pentadecadeuterioadamantan-1-amineSMILES: C1C2CC3CC1CC(C2)(C3)NInChIKey: DKNWSYNQZKUICI-BXSQCBKHSA-NInChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D,8D,9D
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4-羟基-TEMPO-d₁₇CAS号 : 100326-46-3 Compound CID : 16213359分子式: C9H18NO2 分子量: 189.35SMILES: CC1(CC(CC(N1[O])(C)C)O)CInChIKey: UZFMOKQJFYMBGY-DEMDKEALSA-NInChI: InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3/i1D3,2D3,3D3,4D3,5D2,6D2,7D
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Icariside F2CAS号 : 115009-57-9 Compound CID : 14079045分子式: C18H26O10 分子量: 402.39IUPAC Name: (2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-phenylmethoxyoxane-3,4,5-triolSMILES: C1C(C(C(O1)OCC2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)O)O)(CO)OInChIKey: NJMQSVWMCODQIP-FQXXIRCGSA-NInChI: InChI=1S/C18H26O10/c19-8-18(24)9-27-17(15(18)23)26-7-11-12(20)13(21)14(22)16(28-11)25-6-10-4-2-1-3-5-10/h1-5,11-17,19-24H,6-9H2/t11-,12-,13+,14-,15+,16-,17-,18-/m1/s1
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Maesopsin分子式: C15H12O6 分子量: 288.25IUPAC Name: 2,4,6-trihydroxy-2-[(4-hydroxyphenyl)methyl]-1-benzofuran-3-oneSMILES: C1=CC(=CC=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: LOFYFDPXORJJEE-UHFFFAOYSA-NInChI: InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
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普鲁纳辛分子式: C14H17NO6 分子量: 295.29IUPAC Name: (2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrileSMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)OInChIKey: ZKSZEJFBGODIJW-GMDXDWKASA-NInChI: InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
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聚合蛋白CAS号 : 72263-05-9 Compound CID : 57369846分子式: C28H38N2O6 分子量: 498.61IUPAC Name: 3,5,7,11,13,15-hexamethyl-8,16-bis(1,3-oxazol-5-ylmethyl)-1,9-dioxacyclohexadeca-3,11-diene-2,10-dioneSMILES: CC1CC(C(OC(=O)C(=CC(CC(C(OC(=O)C(=C1)C)CC2=CN=CO2)C)C)C)CC3=CN=CO3)CInChIKey: LAJRJVDLKYGLOO-UHFFFAOYSA-NInChI: InChI=1S/C28H38N2O6/c1-17-7-19(3)25(11-23-13-29-15-33-23)35-28(32)22(6)10-18(2)8-20(4)26(12-24-14-30-16-34-24)36-27(31)21(5)9-17/h9-10,13-20,25-26H,7-8,11-12H2,1-6H3
