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stringlengths 23
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ClC1=CC=C(C=C1)C1=NNC=C1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 Clc1ccc(cc1)-c1n[nH]cc1C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 Molport-053-206-487
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FC1=C(Cl)C=C(C=C1)N1CC(CC1=O)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 Fc1ccc(cc1Cl)N1CC(CC1=O)C(=O)NC[C@@H]1CCCN2CCCC[C@H]12 Molport-053-206-488
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CC(C)C1=CC=C(C=C1)N1C(=O)NC(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)C1=O CC(C)c1ccc(cc1)N1C(=O)NC(CCC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)C1=O Molport-053-206-489
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O=C(NC1=CC=C(OCCN2CCCC2)C=C1)[C@H]1CC[C@H](CN2C=NN=N2)CC1 O=C(Nc1ccc(OCCN2CCCC2)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 Molport-053-206-490
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CC(C)(C)OC(=O)N1CCC[C@]11CCNC1=O CC(C)(C)OC(=O)N1CCC[C@]11CCNC1=O Molport-053-206-686
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CC1=CC=C(C=C1)S(=O)(=O)OC1COC1(C)C Cc1ccc(cc1)S(=O)(=O)OC1COC1(C)C Molport-053-206-687
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OC(=O)C(F)(F)F.NC(CC1=CC=CC=C1)C1=NN=C(O1)S(=O)CC1=CC=C(Cl)C(Cl)=C1 OC(=O)C(F)(F)F.NC(Cc1ccccc1)c1nnc(o1)S(=O)Cc1ccc(Cl)c(Cl)c1 Molport-053-206-688
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OC=O.CC1CC(=O)N(CCCCCN)N=C1C1=CC=C(NC(=O)N2CC3=CC=NC=C3C2)C=C1 OC=O.CC1CC(=O)N(CCCCCN)N=C1c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 Molport-053-206-690
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CO[C@@H](C)C1=NC=C(C=C1C1=C2CC(C)(C)COC(=O)[C@H]3NN(C4CC3C4)C(=O)[C@@H](NC(=O)[C@H]3OC[C@@H]3C)[C@@H](N3CC4(COC4)C3)C3=NC(=CS3)C3=CC=C(N1CCOC1CCOCC1)C2=C3)N1CCN(CC1)C1CC1 CO[C@@H](C)c1ncc(cc1-c1c2CC(C)(C)COC(=O)[C@H]3NN(C4CC3C4)C(=O)[C@@H](NC(=O)[C@H]3OC[C@@H]3C)[C@@H](N3CC4(COC4)C3)c3nc(cs3)-c3ccc(n1CCOC1CCOCC1)c2c3)N1CCN(CC1)C1CC1 Molport-053-206-692
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CCNC(=O)C1=NC(C2=CC=NN2C2=CC=C(C=C2)C#N)=C(C)N(C2=CC(=CC=C2)C(F)(F)F)C1=O CCNC(=O)c1nc(-c2ccnn2-c2ccc(cc2)C#N)c(C)n(-c2cccc(c2)C(F)(F)F)c1=O Molport-053-206-693
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Cl.CC(C)C(=O)N([C@H]1C[C@H](N(C1)C(=O)[C@@H]1CN(C[C@H]1C1=CC=C(Cl)C=C1)C(C)(C)C)C(=O)N1CCOCC1)[C@@H]1CC[C@H](C)CC1 Cl.CC(C)C(=O)N([C@H]1C[C@H](N(C1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(C)(C)C)C(=O)N1CCOCC1)[C@@H]1CC[C@H](C)CC1 Molport-053-206-694
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CC(C)(NC1=NC(N)=NC(=N1)C1=CC=C2C=NNC2=C1)C1=NN(C=C1)C(F)F CC(C)(Nc1nc(N)nc(n1)-c1ccc2cn[nH]c2c1)c1ccn(n1)C(F)F Molport-053-206-695
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COC1=C(O)C=CC(\C=C\C(=O)COC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1 COc1cc(\C=C\C(=O)COC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O Molport-053-206-696
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COC1=CC(C)=C(OC)C2=C1OCO2 COc1cc(C)c(OC)c2OCOc12 Molport-053-206-697
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COC1=C(OC)C(OC)=C2C(=C1)C1OC(=O)C(C)(OC3=C2C(CC(C)C1C)=CC1=C3OCO1)C(C)CO COc1cc2C3OC(=O)C(C)(Oc4c5OCOc5cc(CC(C)C3C)c4-c2c(OC)c1OC)C(C)CO Molport-053-206-698
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CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)C5=CC=CC=C5)[C@@H]1[C@]4(O)C[C@@H]3OC)[C@H](C[C@H]2O)OC CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H]1C[C@@]3(O)[C@H](OC(=O)c5ccccc5)[C@@H]1[C@]4(O)C[C@@H]3OC)[C@H](C[C@H]2O)OC Molport-053-206-706
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FC1=CC=C(C(F)=C1)C(CN1C=NC=N1)(CN1C=NC=N1)OC(=O)CCCCCCCCCCCCCCCNC(=O)C1=C(CNC(=O)C2=CSC(=C2)C2=NNC3=CC=CC=C23)C(F)=CC=C1 Fc1ccc(c(F)c1)C(Cn1cncn1)(Cn1cncn1)OC(=O)CCCCCCCCCCCCCCCNC(=O)c1cccc(F)c1CNC(=O)c1csc(c1)-c1n[nH]c2ccccc12 Molport-053-206-708
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O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O[C@H](COP(O)([O-])=O)[C@@H]([O-])[C@H](O)C(=O)COP(O)([O-])=O O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O[C@H](COP(O)([O-])=O)[C@@H]([O-])[C@H](O)C(=O)COP(O)([O-])=O Molport-053-206-709
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Cl.CN1CCC[C@H](CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O Cl.CN1CCC[C@H](CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Molport-053-206-710
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CC(=C)C(=O)OCCS(C)=O CC(=C)C(=O)OCCS(C)=O Molport-053-206-726
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OC(=O)COCCOCCOCCS OC(=O)COCCOCCOCCS Molport-053-206-727
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CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(O)=O CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(O)=O Molport-053-206-728
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO Molport-053-206-729
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NC1=CC=C(N=C1)C1=NN=C(N=N1)C1=NC=CC=C1 Nc1ccc(nc1)-c1nnc(nn1)-c1ccccn1 Molport-053-206-730
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CCOC(=O)CCC1=C(CC(O)=O)/C2=C/C3=C(CCC(=O)OCC)C(CC(O)=O)=C(N3)/C=C3\N=C(\C=C4/N=C(\C=C\1/N\2)C(CC(O)=O)=C4CCC(=O)OCC)C(CC(O)=O)=C3CCC(=O)OCC CCOC(=O)CCc1c(CC(O)=O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(CC(O)=O)c5CCC(=O)OCC)c(CC(O)=O)c4CCC(=O)OCC)c(CC(O)=O)c3CCC(=O)OCC Molport-053-206-731
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ClC1=C(N2C(=O)CCC2=O)C(=O)C2=C(C=CC=C2)C1=O ClC1=C(N2C(=O)CCC2=O)C(=O)c2ccccc2C1=O Molport-053-206-732
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C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@]11CC[C@@H](C)CO1 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@]11CC[C@@H](C)CO1 Molport-053-206-733
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OC(=O)CCCCC1(O)CC(O)=CC=C1 OC(=O)CCCCC1(O)CC(O)=CC=C1 Molport-053-206-734
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I.I.NCC1=CC=C(CN)C=C1 I.I.NCc1ccc(CN)cc1 Molport-053-206-735
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I.I.NCCOCCOCCN I.I.NCCOCCOCCN Molport-053-206-736
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[Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2/N(CCOCCOCCOCCOCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC4=CC=CC=C34)C3=CC=CC=C3C2(C)C)C(C)(C)C2=CC=CC=C12 [Cl-].COCCOCCOCCOCC[N+]1=C(\C=C\C=C\C=C2/N(CCOCCOCCOCCOCCC(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc34)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 Molport-053-206-737
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C1COCCNCCOCCNCCOCCN1 C1COCCNCCOCCNCCOCCN1 Molport-053-206-739
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C1=CC2=CC3=CC=CC=C3C(C3=CC4=C(C=CC=C4)C4=C3C=CC=C4)=C2C=C1 c1ccc2c(c1)cc(-c1c3ccccc3cc3ccccc13)c1ccccc21 Molport-053-206-740
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NC1=C(C=C(C=C1C(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)F)C(C1=CC=CC=C1)C1=CC=CC=C1 Nc1c(cc(cc1C(c1ccccc1)c1ccccc1)C(F)(F)F)C(c1ccccc1)c1ccccc1 Molport-053-206-741
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O=C(OCC1=CC=CC=C1)N1CCC(=O)CC11CCCC1 O=C(OCc1ccccc1)N1CCC(=O)CC11CCCC1 Molport-053-206-742
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OC[C@H]1OCC=C[C@@H]1O OC[C@H]1OCC=C[C@@H]1O Molport-053-206-743
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CC(C)(C)OC(=O)N1C[C@]2(CO)C[C@]1(C2)C(O)=O CC(C)(C)OC(=O)N1C[C@]2(CO)C[C@]1(C2)C(O)=O Molport-053-206-744
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C1=CC=C(C=C1)N1C2=C(C=CC=C2)C2=C1C=CC(=C2)N1C2=C(C=CC=C2)C2=C1C=CC(=C2)C1=CC2=C(C=C1)N(C1=C2C=CC=C1)C1=CC=CC=C1 c1ccc(cc1)-n1c2ccccc2c2cc(ccc12)-c1ccc2n(-c3ccc4n(-c5ccccc5)c5ccccc5c4c3)c3ccccc3c2c1 Molport-053-206-745
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CCCCCCCCCCCCC(CCCBr)CCCCCCCCCC CCCCCCCCCCCCC(CCCBr)CCCCCCCCCC Molport-053-206-746
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CN1CCN(CC2=C(C=C(NC(=O)C3=CC=C(C)C(=C3)C#C)C=C2)C(F)(F)F)CC1 CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#C)cc2C(F)(F)F)CC1 Molport-053-206-747
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COC(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F COC(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F Molport-053-206-748
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BrC1=CC=C2C(OC=C2C2CCC(=O)NC2=O)=C1 Brc1ccc2c(coc2c1)C1CCC(=O)NC1=O Molport-053-206-749
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O=C1NC2CC(C2)C2=C1C=CC=C2 O=C1NC2CC(C2)c2ccccc12 Molport-053-206-750
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CC(C)(C)OC(=O)NC1(CO)CS(=O)(=O)C1 CC(C)(C)OC(=O)NC1(CO)CS(=O)(=O)C1 Molport-053-206-751
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O[C@H]1C[C@H](C1)C(F)(F)F O[C@H]1C[C@H](C1)C(F)(F)F Molport-053-206-752
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O[C@@H]1CCN(C1)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O O[C@@H]1CCN(C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O Molport-053-206-753
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CCOC(=O)C1=C(NC2=C(C)C(=CC=C2)C(F)(F)F)N=CC=C1 CCOC(=O)c1cccnc1Nc1cccc(c1C)C(F)(F)F Molport-053-206-754
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CNC(=O)OC1=CC(Cl)=CC2=C1OC(C)(C)C2 CNC(=O)Oc1cc(Cl)cc2CC(C)(C)Oc12 Molport-053-206-755
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Cl.NNC1=CC=C(C=C1)C(=O)NCCC#C Cl.NNc1ccc(cc1)C(=O)NCCC#C Molport-053-206-757
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OC1=CC2=C(C(O)=C1)C(=O)OC1=C2C=CC=C1 Oc1cc(O)c2c(c1)c1ccccc1oc2=O Molport-053-206-759
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CCCCOC(=O)CCCCC1CCSS1 CCCCOC(=O)CCCCC1CCSS1 Molport-053-206-760
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C[C@@H]1N(CCC2=NN(C(N)=C12)C1=CC(C)=C(Cl)C(C)=C1)C(=O)OC(C)(C)C C[C@@H]1N(CCc2nn(c(N)c12)-c1cc(C)c(Cl)c(C)c1)C(=O)OC(C)(C)C Molport-053-206-761
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C[C@@H]1N(CCC2=NN(C(N3C=CNC3=O)=C12)C1=CC(C)=C(Cl)C(C)=C1)C(=O)OC(C)(C)C C[C@@H]1N(CCc2nn(c(c12)-n1cc[nH]c1=O)-c1cc(C)c(Cl)c(C)c1)C(=O)OC(C)(C)C Molport-053-206-762
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CC(C)(C)OC(=O)N[C@@H](CCC(O)=O)CC(O)=O CC(C)(C)OC(=O)N[C@@H](CCC(O)=O)CC(O)=O Molport-053-206-763
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CC(C)(C)OC(=O)N[C@H](CCC(O)=O)CC(O)=O CC(C)(C)OC(=O)N[C@H](CCC(O)=O)CC(O)=O Molport-053-206-764
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CN(CC1=C(CO)C=CC(=C1)[N+]([O-])=O)C(=O)OC(C)(C)C CN(Cc1cc(ccc1CO)[N+]([O-])=O)C(=O)OC(C)(C)C Molport-053-206-765
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Cl.CC1=C2C3=C(NC[C@H]3CCl)C=C(OCC3=CC=CC=C3)C2=CC=C1 Cl.Cc1cccc2c(OCc3ccccc3)cc3NC[C@@H](CCl)c3c12 Molport-053-206-766
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ClC1=CC(OCC2=CC=CC=C2)=NN=C1 Clc1cnnc(OCc2ccccc2)c1 Molport-053-206-768
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BrC1=CN2N=CC(=C2C=C1)C1=CC=C(OCC2=CC=CC=C2)N=C1OCC1=CC=CC=C1 Brc1ccc2c(cnn2c1)-c1ccc(OCc2ccccc2)nc1OCc1ccccc1 Molport-053-206-769
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Cl.O=C1NCC[C@]11CCCN1 Cl.O=C1NCC[C@]11CCCN1 Molport-053-206-770
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BrC1=CC2=NN=C(C3CCC(=O)NC3=O)N2C=C1 Brc1ccn2c(nnc2c1)C1CCC(=O)NC1=O Molport-053-206-772
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BrC1=CN2N=CC(C3CCC(=O)NC3=O)=C2C=C1 Brc1ccc2c(cnn2c1)C1CCC(=O)NC1=O Molport-053-206-773
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OC([C@@H]1CCNC1)(C(F)(F)F)C(F)(F)F OC([C@@H]1CCNC1)(C(F)(F)F)C(F)(F)F Molport-053-206-774
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CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(CC3CCNCC3)C[C@@H]12 CC(C)(C)OC(=O)N[C@@H]1[C@H]2CN(CC3CCNCC3)C[C@@H]12 Molport-053-206-775
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FC(F)C(=O)C1=CC=C(Br)C(Br)=C1 FC(F)C(=O)c1ccc(Br)c(Br)c1 Molport-053-206-776
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BrC1=CC=C2N(N=CC2=C1)C1CCC(=O)NC1=O Brc1ccc2n(ncc2c1)C1CCC(=O)NC1=O Molport-053-206-777
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CCOC(=O)C[C@@H](NC1=CC(Cl)=CC=C1[N+]([O-])=O)C1=C(Br)C=CC=C1OC(F)F CCOC(=O)C[C@@H](Nc1cc(Cl)ccc1[N+]([O-])=O)c1c(Br)cccc1OC(F)F Molport-053-206-778
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IC1=CC2=C(C=C1)S(=O)C1=C2C=C(I)C=C1 Ic1ccc2c(c1)c1cc(I)ccc1s2=O Molport-053-206-779
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N1C2=C(C=CC=C2)C2=C1C1=C(C3=C(N1)C=CC=C3)C1=C2NC2=C1C=CC=C2 c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3c4ccccc4[nH]c3c21 Molport-053-206-780
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CCC(C)C(=O)CC(=O)C(C)CC CCC(C)C(=O)CC(=O)C(C)CC Molport-053-206-781
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