砌块
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(S)-(+)-1-甲基-3-羟基吡咯烷CAS号 : 104641-59-0 Compound CID : 643504分子式: C5H11NO 分子量: 101.15IUPAC Name: (3S)-1-methylpyrrolidin-3-olSMILES: CN1CCC(C1)OInChIKey: FLVFPAIGVBQGET-YFKPBYRVSA-NInChI: InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3/t5-/m0/s1
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(1R,2S,5R)-(-)-薄荷基(S)-对甲苯亚磺酸酯分子式: C17H26O2S 分子量: 294.45IUPAC Name: [(1S)-5-methyl-2-propan-2-ylcyclohexyl] 4-methylbenzenesulfinateSMILES: CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)CInChIKey: NQICGNSARVCSGJ-UPSPKRPTSA-NInChI: InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14?,16?,17-,20?/m0/s1
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2,4-双(三氟甲基)-6-甲氧基苯甲酸CAS号 : 180134-15-0 Compound CID : 2741287分子式: C10H6F6O3 分子量: 288.14IUPAC Name: 2-methoxy-4,6-bis(trifluoromethyl)benzoic acidSMILES: COC1=CC(=CC(=C1C(=O)O)C(F)(F)F)C(F)(F)FInChIKey: IIWWKGJYKXFWRG-UHFFFAOYSA-NInChI: InChI=1S/C10H6F6O3/c1-19-6-3-4(9(11,12)13)2-5(10(14,15)16)7(6)8(17)18/h2-3H,1H3,(H,17,18)
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3-甲基-5-三氟甲基苯甲酸CAS号 : 117186-02-4 Compound CID : 2775588分子式: C9H7F3O2 分子量: 204.15IUPAC Name: 3-methyl-5-(trifluoromethyl)benzoic acidSMILES: CC1=CC(=CC(=C1)C(F)(F)F)C(=O)OInChIKey: QJSRENHDYMAJIL-UHFFFAOYSA-NInChI: InChI=1S/C9H7F3O2/c1-5-2-6(8(13)14)4-7(3-5)9(10,11)12/h2-4H,1H3,(H,13,14)
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3-氨基-4-碘苯甲酸甲酯CAS号 : 412947-54-7 Compound CID : 21628210分子式: C8H8INO2 分子量: 277.06IUPAC Name: methyl 3-amino-4-iodobenzoateSMILES: COC(=O)C1=CC(=C(C=C1)I)NInChIKey: WJEBNIVVLJEIKE-UHFFFAOYSA-NInChI: InChI=1S/C8H8INO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3
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1-硝基-2-甲基蒽醌分子式: C15H9NO4 分子量: 267.243IUPAC Name: 2-methyl-1-nitroanthracene-9,10-dioneSMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]InChIKey: FYXKXZFTZBYYNP-UHFFFAOYSA-NInChI: InChI=1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
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(3S)-(+)-3-(甲氨基)吡咯烷CAS号 : 139015-32-0 Compound CID : 10261057分子式: C5H12N2 分子量: 100.17IUPAC Name: (3S)-N-methylpyrrolidin-3-amineSMILES: CNC1CCNC1InChIKey: NGZYRKGJWYJGRS-YFKPBYRVSA-NInChI: InChI=1S/C5H12N2/c1-6-5-2-3-7-4-5/h5-7H,2-4H2,1H3/t5-/m0/s1
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MB05032,FBPase抑制剂CAS号 : 261365-11-1 Compound CID : 11289630分子式: C11H15N2O4PS 分子量: 302.29IUPAC Name: [5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl]phosphonic acidSMILES: CC(C)CC1=C(N=C(S1)N)C2=CC=C(O2)P(=O)(O)OInChIKey: XJMYIJPPDSZOPN-UHFFFAOYSA-NInChI: InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16)
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甲硫米特CAS号 : 34839-70-8 Compound CID : 1548992分子式: C9H16N4S2 分子量: 244.38IUPAC Name: 1-methyl-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]thioureaSMILES: CC1=C(N=CN1)CSCCNC(=S)NCInChIKey: FPBPLBWLMYGIQR-UHFFFAOYSA-NInChI: InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
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甲基丙胺CAS号 : 188247-01-0 Compound CID : 448201分子式: C28H31N7 分子量: 465.59IUPAC Name: N,N,3-trimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]anilineSMILES: CC1=C(C=CC(=C1)N(C)C)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)CInChIKey: ADKLMOJIJGHCCD-UHFFFAOYSA-NInChI: InChI=1S/C28H31N7/c1-18-15-20(33(2)3)6-8-22(18)28-30-23-9-5-19(16-25(23)32-28)27-29-24-10-7-21(17-26(24)31-27)35-13-11-34(4)12-14-35/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)(H,30,32)