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ATBTA-Eu³⁺CAS号 : 601494-52-4 Compound CID : 44629911分子式: C37H30EuN6NaO8 分子量: 861.63IUPAC Name: sodium;2-[[6-[4-[4-(4-aminophenyl)phenyl]-6-[6-[[bis(carboxylatomethyl)amino]methyl]pyridin-2-yl]pyridin-2-yl]pyridin-2-yl]methyl-(carboxylatomethyl)amino]acetate;europium(3+)SMILES: C1=CC(=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC(=N3)CN(CC(=O)[O-])CC(=O)[O-])C4=CC=C(C=C4)C5=CC=C(C=C5)N)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Eu+3]InChIKey: WPJHPWPASHGOEZ-UHFFFAOYSA-JInChI: InChI=1S/C37H34N6O8.Eu.Na/c38-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(39-30)17-42(19-34(44)45)20-35(46)47)41-33(16-26)31-6-2-4-29(40-31)18-43(21-36(48)49)22-37(50)51;;/h1-16H,17-22,38H2,(H,44,45)(H,46,47)(H,48,49)(H,50,51);;/q;+3;+1/p-4
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更昔洛韦-d5CAS号 : 1189966-73-1分子式: C9H8D5N5O4 分子量: 260.26SMILES: [2H]C([2H])(C([2H])(C([2H])([2H])O)OCN1C=NC2C1=NC(=NC2=O)N)O
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N-去甲基氯氮平-d8CAS号 : 1189888-77-4分子式: C17H9D8ClN4 分子量: 320.85IUPAC Name: 3-chloro-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepineSMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42InChIKey: JNNOSTQEZICQQP-UFBJYANTSA-NInChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2/i7D2,8D2,9D2,10D2
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异戊酸-d9CAS号 : 344298-81-3分子式: C5HD9O2 分子量: 111.19IUPAC Name: 2,2,3,4,4,4-hexadeuterio-3-(trideuteriomethyl)butanoic acidSMILES: CC(C)CC(=O)OInChIKey: GWYFCOCPABKNJV-CBZKUFJVSA-NInChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i1D3,2D3,3D2,4D
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异烟肼-d4CAS号 : 774596-24-6分子式: C6H3D4N3O 分子量: 141.16IUPAC Name: 2,3,5,6-tetradeuteriopyridine-4-carbohydrazideSMILES: C1=CN=CC=C1C(=O)NNInChIKey: QRXWMOHMRWLFEY-RHQRLBAQSA-NInChI: InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)/i1D,2D,3D,4D
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磺胺二甲嘧啶-d4CAS号 : 1020719-82-7 Compound CID : 45040438分子式: C12H10D4N4O2S 分子量: 282.35IUPAC Name: 4-amino-2,3,5,6-tetradeuterio-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamideSMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)CInChIKey: ASWVTGNCAZCNNR-LNFUJOGGSA-NInChI: InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)/i3D,4D,5D,6D
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2-甲苯胺-d7CAS号 : 68408-22-0分子式: C₇H₂D₇N 分子量: 114.20IUPAC Name: N,N,2,3,4,5-hexadeuterio-6-(trideuteriomethyl)anilineSMILES: CC1=CC=CC=C1NInChIKey: RNVCVTLRINQCPJ-LLZDZVHOSA-NInChI: InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D/hD2
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4-硝基苯甲酸-d4CAS号 : 171777-66-5分子式: C7HD4NO4 分子量: 171.14IUPAC Name: 2,3,5,6-tetradeuterio-4-nitrobenzoic acidSMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]InChIKey: OTLNPYWUJOZPPA-RHQRLBAQSA-NInChI: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)/i1D,2D,3D,4D
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2,6-二苯基环己酮，顺式和反式的混合物CAS号 : 37904-84-0分子式: (C6H5)2C6H8(=O) 分子量: 250.33IUPAC Name: 2,6-diphenylcyclohexan-1-oneSMILES: C1CC(C(=O)C(C1)C2=CC=CC=C2)C3=CC=CC=C3InChIKey: JHMUMWBKYPMOLI-UHFFFAOYSA-NInChI: InChI=1S/C18H18O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
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4-甲氧基环己烷羧酸CAS号 : 95233-12-8 Compound CID : 736153分子式: C8H14O3 分子量: 158.19IUPAC Name: 4-methoxycyclohexane-1-carboxylic acidSMILES: COC1CCC(CC1)C(=O)OInChIKey: WKILSRYNRQGRMA-UHFFFAOYSA-NInChI: InChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
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Acyclovir-d4CAS号 : 1185179-33-2分子式: C8H7D4N5O3 分子量: 229.23IUPAC Name: 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-oneSMILES: C1=NC2=C(N1COCCO)N=C(NC2=O)NInChIKey: MKUXAQIIEYXACX-LNLMKGTHSA-NInChI: InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)/i1D2,2D2
