MCULE-3883554658 |
1 |
C12=C3CCN(C)[C@]1([H])CC1C=CC(=CC=1)OC1=C(OC)C(=CC4CCN(C)[C@](C1=4)([H])CC1=CC=C(C=C1)OC2=C(C(OC)=C3)OC)OC
|
|
MCULE-4969671593 |
1 |
C12=C3CCN(C)[C@@H]1CC1=CC=C(OC4C5=C(CCN(C)[C@@H]5CC5=CC=C(C=C5)OC2=C(OC)C(=C3)OC)C=C(OC)C=4OC)C=C1
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|
MCULE-3241136280 |
0.99 |
C12=C3CCN(C)[C@]1([H])CC1C=CC(O)=C(OC4C(OC)=CC5CCN(C)[C@@]([H])(C=5C=4)CC4C=CC(=CC=4)OC2=C(O)C(=C3)OC)C=1
|
|
MCULE-2868110081 |
0.99 |
C12C3CCN(C)[C@]1([H])CC1C=CC(=C(C=1)OC1C(OC)=CC4=C([C@@]([H])(N(C)CC4)CC4C=CC(=CC=4)OC=2C(=C(OC)C=3)O)C=1)O
|
|
MolPort-001-728-226 |
0.98 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(C=C5OC)[C@H](CC5=CC=C(OC1=C2)C=C5)N(C)CC6)=C34
|
|
MolPort-042-676-320 |
0.98 |
COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(O)C(OC)=C4
|
|
MolPort-000-772-054 |
0.98 |
COC1=C2OC3=C4C(CC5=CC=C(OC6=CC(CC7N(C)CCC(=C1)C7=C2)=CC=C6O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
MolPort-020-005-723 |
0.98 |
COC1=CC2=C3C=C1OC1=C4[C@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(OC)C=C5)N(C)CCC4=CC(OC)=C1O
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|
MolPort-009-758-370 |
0.98 |
O.O.O.O.O.[Cl-].[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CC[N+](C)(C)[C@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
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MolPort-000-763-034 |
0.98 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
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|
MolPort-001-728-118 |
0.98 |
COC1=C2OC3=C4[C@H](CC5=CC=C(OC6=CC(C[C@H]7N(C)CCC(=C1)C7=C2)=CC=C6O)C=C5)N(C)CCC4=CC(OC)=C3OC
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|
MolPort-001-728-135 |
0.98 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
MolPort-020-005-708 |
0.98 |
COC1=CC2=C3C=C1OC1=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(OC)C=C5)N(C)CCC4=CC(OC)=C1O
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MolPort-044-193-374 |
0.98 |
COC1=C2OC3=CC=C(CC4N(C)CCC5=CC(OC)=C(OC6=C7C(CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6OC)C=C45)C=C3
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MolPort-001-728-239 |
0.98 |
COC1=C2OC3=C4[C@@H](CC5=CC=C(O)C(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
MolPort-000-775-751 |
0.98 |
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(C=C5OC)C(CC5=CC=C(OC1=C2)C=C5)N(C)CC6)=C34
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MolPort-006-069-226 |
0.98 |
Cl.[Cl-].COC1=CC2=C3C=C1OC1=C(O)C=CC(C[C@@H]4C5=C(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)C(O)=C(OC)C=C5CC[N+]4(C)C)=C1
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|
MolPort-003-929-942 |
0.98 |
O.O.O.O.O.Cl.[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
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|
MolPort-003-983-880 |
0.98 |
[Cl-].[Cl-].COC1=CC2=C3[C@@H](CC4=CC(OC5=CC6=C(CC[NH+](C)C6CC6=CC=C(OC3=C1O)C=C6)C=C5OC)=C(O)C=C4)[N+](C)(C)CC2
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MolPort-005-938-503 |
0.98 |
COC1=C2OC3=C4C(CC5=CC=C(O)C(OC6=CC=C(CC7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
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MolPort-000-703-191 |
0.98 |
O.O.O.O.O.[Cl-].[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CC[N+](C)(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
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|
MCULE-6334861355 |
0.98 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
MCULE-8373478754 |
0.98 |
C12C(OC)=C(OC)C=C3CCN(C)C([H])(CC4C=CC(=C(OC5=CC=C(C=C5)CC5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
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MCULE-5037968497 |
0.98 |
C12CCN(C)[C@@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(O)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
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|
MCULE-7779971171 |
0.98 |
C12CCN(C)[C@@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
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MCULE-6247921386 |
0.98 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(O)=CC=4
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MCULE-5816428628 |
0.98 |
C12[C@@H]3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)[C@@H](CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C
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MCULE-1680809407 |
0.98 |
C1CC2C=C(OC)C(OC)=C3OC4C(OC)=CC5CCN(C)C(CC6C=CC(OC7=CC(=CC=C7O)CC(C=23)N1C)=CC=6)C=5C=4
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MCULE-6327057075 |
0.98 |
C12=C(OC)C(OC)=CC3CCN(C)C(CC4=CC=C(C=C4)OC4C(O)=CC=C(CC5N(CCC6C5=CC(=C(OC)C=6)O1)C)C=4)C2=3
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MCULE-8890424200 |
0.98 |
C12C(OC)=C(OC)C=C3CCN(C)[C@]([H])(CC4C=CC(=C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
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MCULE-1926626409 |
0.98 |
C12C(OC)=C(OC)C=C3CCN(C)[C@]([H])(CC4=CC=C(C(OC5C=CC(=CC=5)C[C@@]5(N(C)CCC6C=C(C(OC)=CC=65)O1)[H])=C4)OC)C=23
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MCULE-2205423638 |
0.98 |
C12OC3=CC(=CC4CCN(C)[C@@H](CC5=CC=C(C=C5)OC5=C(C=CC(=C5)C[C@@H]5N(C)CCC(C=C(OC)C=1OC)=C25)OC)C3=4)OC
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MCULE-7264526897 |
0.98 |
O1C2=C(C=C3CCN(C)[C@H](CC4=CC=C(C=C4)OC4C(=CC=C(C=4)C[C@H]4C5=C1C(=C(C=C5CCN4C)OC)OC)OC)C3=C2)OC
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MCULE-9574668792 |
0.98 |
C12=C3CCN(C)[C@@H]1CC1C=CC(OC)=C(OC4C=CC(=CC=4)C[C@@H]4N(CCC5C=C(OC)C(=CC=54)OC2=C(O)C(=C3)OC)C)C=1
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MCULE-2548279289 |
0.98 |
C12C(OC)=C(OC)C=C3CCN(C)[C@@]([H])(CC4C=CC(=C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
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MCULE-4873661091 |
0.98 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(O)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
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MCULE-2321012187 |
0.98 |
C12=C(OC)C(OC)=CC3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4C(O)=CC=C(C[C@@]5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)C=4)C2=3
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MCULE-1397105564 |
0.98 |
C12C(OC)=C(OC)C=C3CCN(C)C(CC4=CC=C(C(OC5C=CC(=CC=5)CC5N(C)CCC6C=C(C(OC)=CC=65)O1)=C4)OC)C=23
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MolPort-029-886-746 |
0.97 |
Cl.COC1=CC2=C3C=C1OC1=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C1OC
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MolPort-003-936-410 |
0.97 |
Cl.Cl.COC1=C2OC3=C4[C@@H](CC5=CC=C(O)C(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
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MolPort-042-676-315 |
0.97 |
Cl.Cl.COC1=C2OC3=C4C(CC5=CC(OC6=CC=C(CC7N(C)CCC(=C1)C7=C2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C3OC
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MCULE-3287612708 |
0.97 |
Cl.Cl.C1CC2C=C(OC)C(OC)=C3OC4C(OC)=CC5CCN(C)C(CC6C=CC(OC7=CC(=CC=C7O)CC(C=23)N1C)=CC=6)C=5C=4
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MCULE-9167644339 |
0.97 |
C12[C@@H]3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)[C@@H](CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C.Cl
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MCULE-7825125488 |
0.97 |
[H]Cl.C12=C(OC)C(OC)=CC3CCN(C)C(CC4C=CC(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)O)C2=3
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MCULE-3891271395 |
0.97 |
C12OC3=CC4=C5C=C3OC=1C(=CC1CCNC([H])(CC3C=CC(=CC=3)OC3C(OC)=CC=C(CC4([H])N(CC5)C)C=3)C2=1)OC
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MCULE-6699394396 |
0.97 |
Cl.C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(O)=CC=4
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MCULE-8424323281 |
0.97 |
Cl.Cl.O(C1C(=CC2CCN(C)[C@]3([H])CC4=CC=C(O)C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6C=C(OC)C(=CC=65)OC=1C=23)=C4)OC)C
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MCULE-4953433217 |
0.95 |
C12C3CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)CC4C5=C(CC[NH+]4C)C=C(OC)C(=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC
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MCULE-4999135010 |
0.95 |
C12[C@]3([H])CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)C[C@]4([H])N(CCC5=C4C=C(C(OC)=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC)C
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MCULE-5042838561 |
0.95 |
C1(OC2=C(OC)C=C3C(C(CC)N(CC3)C)=C2)C(O)=C(OC)C=C2CCN(C)C(CC)C=12
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MolPort-001-728-228 |
0.94 |
COC1=CC=C2C[C@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCN[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
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MolPort-001-728-214 |
0.94 |
COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCN[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
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MolPort-000-730-052 |
0.94 |
[I-].COC1=CC=C2CC3[NH+](C)CCC4=CC(OC)=C(OC5=C6C(CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=C(O)C(OC)=C5OC)C=C34
|
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MolPort-009-758-224 |
0.94 |
I.COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=C(O)C(OC)=C5OC)C=C34
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MolPort-000-771-002 |
0.94 |
COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
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MolPort-001-728-117 |
0.94 |
COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
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MolPort-001-728-101 |
0.94 |
O.COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
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MolPort-000-778-541 |
0.94 |
O.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
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MCULE-5019588064 |
0.94 |
C12[C@]3([H])CC4=CC=C(C(OC5C=CC(=CC=5)C[C@]5([H])NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC
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MCULE-3936362222 |
0.94 |
C12C3CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)CC4C5=C(CC[NH+]4C)C=C(OC)C(=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC.[I-]
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MCULE-7431600466 |
0.94 |
I.C12[C@]3([H])CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)C[C@]4([H])N(CCC5=C4C=C(C(OC)=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC)C
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MCULE-3804794622 |
0.94 |
C12[C@]3([H])CC4=CC=C(C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)C)=C4)OC
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MCULE-3283642436 |
0.94 |
C12C3CC4C=C(O)C(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CCN3C)OC)C)C=4)OC
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MCULE-8676512526 |
0.94 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5N(CCC6C5=CC(=C(OC)C=6)OC1=C(C(OC)=C(OC)C=2CCN3C)OC)C)=C4)OC
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MCULE-8268993318 |
0.94 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC
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MCULE-8393685162 |
0.94 |
C1(OC2=C(OC)C=C3C(C(CC)N(CC3)C)=C2)C(O)=C(OC)C=C2CCN(C)C(CC)C=12.Cl.Cl
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MolPort-044-544-144 |
0.93 |
Cl.Cl.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
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MolPort-044-543-954 |
0.93 |
Cl.Cl.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCNC6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
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MCULE-2079398858 |
0.93 |
C12C3CC4C=CC(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)C)C=4)OC.Cl.Cl
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MCULE-7911972279 |
0.93 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC.Cl.Cl
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MCULE-8092338781 |
0.89 |
C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O
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MCULE-4404393518 |
0.89 |
N1(C)CCC2C(C1CC(C)C)=C(C(=C(OC)C=2)OC1C2C(CC(C)C)N(C)CCC=2C=C(OC)C=1O)OC1C(OC)=CC2CCN(C)C(CC(C)C)C=2C=1
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MCULE-3783274106 |
0.89 |
C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(OC2C(O)=C(OC)C=C3C=2C(CC(C)C)N(CC3)C)C(OC)=CC2=C1C(CC(C)C)N(CC2)C
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MCULE-1711881304 |
0.89 |
C12=C(O)C(OC)=CC3[C@]([N+](C)(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@]3([H])C4C(CC[N+]3(C)C)=CC(OC)=C(C=4)O2)C=1
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MCULE-5643246457 |
0.89 |
C12=C(O)C(OC)=CC3C(N(C)CCC=31)CC1=CC=C(C=C1)OC1C(OC)=CC=C(CC3N(CCC4C3=CC(=C(OC)C=4)O2)C)C=1
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MCULE-4717457274 |
0.89 |
C12=C(O)C(OC)=CC3[C@](N(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@@]3([H])N(CCC4C3=CC(=C(OC)C=4)O2)C)C=1
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MolPort-001-728-215 |
0.89 |
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C(OC5=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)C=C34
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MolPort-000-758-558 |
0.89 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)C=C34
|
|
MolPort-035-705-716 |
0.89 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(CC[N+](C)([O-])[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
MolPort-046-597-983 |
0.89 |
COC1=CC=C2CC3C4=CC(OC5=C6CC[N+](C)(C)C(CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)=C(OC)C=C4CC[N+]3(C)C
|
|
MolPort-000-775-465 |
0.88 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=CC1=C5OCO1)C=C34
|
|
MolPort-044-193-471 |
0.88 |
COC1=C2OC3=CC=C(CC4N(C)CCC5=CC6=C(OCO6)C(OC6=C(OC)C=C7CCN(C)C(CC(C=C1)=C2)C7=C6)=C45)C=C3
|
|
MolPort-035-395-783 |
0.88 |
COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=C4C(OC4=C(OC)C=C6CCN(C)C(CC(C=C1)=C2)C6=C4)=C1OCOC1=C5)C=C3
|
|
MolPort-000-742-151 |
0.88 |
[I-].[I-].COC1=CC=C2C[C@@H]3C4=CC(OC5=C6CC[N+](C)(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)=C(OC)C=C4CC[N+]3(C)C
|
|
MCULE-3635473685 |
0.88 |
COC1C2OC3C4[C@](N(CCC=4C=C4OCOC=34)C)([H])CC3C=CC(OC4=CC=C(C[C@]5(N(CCC(=C5C=2)C=1)C)[H])C=C4OC)=CC=3
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|
MCULE-4243165865 |
0.88 |
C12C3OCOC=3C=C3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4=C(OC)C=CC(C[C@@]5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)=C4)C=23
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|
MCULE-1139668351 |
0.88 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC7OCOC=7C(OC(C(OC)=C1)=CC=23)=C65)C(OC)=CC=4
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|
MCULE-3272174824 |
0.88 |
O1C2=C(C=C3CCN(C)[C@@H](CC4=CC=C(C(=C4)OC4=CC=C(C=C4)C[C@@H]4C5=C1C1=C(C=C5CCN4C)OCO1)OC)C3=C2)OC
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MCULE-9714795096 |
0.88 |
C12C3OCOC=3C=C3CCN(C)C([H])(CC4=CC=C(C=C4)OC4=C(OC)C=CC(CC5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)=C4)C=23
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|
MCULE-7704160657 |
0.88 |
C12=C(O)C(OC)=CC3[C@]([N+](C)(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@]3([H])C4C(CC[N+]3(C)C)=CC(OC)=C(C=4)O2)C=1.[I-].[I-]
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MCULE-8823935868 |
0.87 |
C12C[C@]3(C4C=C(OC5C=C6[C@@]([H])(N(C)CCC6=CC=5OC)CC5=CC=C(OC(=C1)C(OC)=CC=2)C=C5)C(O)=C(OC)C=4CCN3C)[H]
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MCULE-3866980391 |
0.86 |
C1(OC2=C(OC)C=C3C(C(C)N(CC3)C)=C2)=C(O)C(OC)=CC2CCNC(C)C1=2
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|
MCULE-7464008139 |
0.86 |
C1(OC2=C(OC)C=C3C(C(C)N(CC3)C)=C2)=C(O)C(OC)=CC2CCN(C)C(C)C1=2
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|
MCULE-5161455012 |
0.85 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(OC)C(OC2C=CC(C[C@H]3N(C)CCC4C=C(C(OC)=CC3=4)OC)=CC=2)=C1)OC
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|
MolPort-046-426-991 |
0.84 |
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1
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MolPort-039-052-270 |
0.84 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=C5C=C(O)C(OC)=C6)=C4)C=C23)C=C1
|
|
MolPort-046-594-355 |
0.84 |
COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1
|
|
MolPort-039-052-274 |
0.84 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=C5C=C(OC)C(OC)=C6)=C4)C=C23)C=C1
|
|
MolPort-006-069-378 |
0.84 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C(OC3=CC4=C(CCN(C)[C@@H]4CC4=CC=C(O)C=C4)C=C3OC)=C1)N(C)CC2
|
|
MolPort-039-052-273 |
0.84 |
COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
MolPort-020-005-793 |
0.84 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(C[C@H]5N(C)CCC6=C5C=C(O)C(OC)=C6)=C4)C=C23)C=C1
|
|
MolPort-046-417-445 |
0.84 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(C[C@@H]5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1
|
|
MolPort-046-594-356 |
0.84 |
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(O)C=C56)=C4)C=C23)C=C1
|
|
MCULE-3253767593 |
0.84 |
C(O)(=O)C(O)=O.C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(C(OC)=CC2CCN(C)C(CC(C)C)C1=2)OC1C(O)=C(OC)C=C2CCN(C)C(CC(C)C)C=12
|
|
MCULE-8233858649 |
0.84 |
C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O.C(O)(=O)C(O)=O
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|
MCULE-2546164744 |
0.84 |
C12=C3OCOC3=CC3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4C=C(C=CC=4OC)C[C@]4(N(C)CC5=C(C4)C=C(C(OC)=C5)O1)[H])C2=3
|
|
MCULE-1313881996 |
0.84 |
CN1C(CC2C=CC(OC)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
MCULE-1304468907 |
0.84 |
CN1C(CC2C=CC(OC)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(O)=C(OC)C=5)C=CC=3O)C=2)CC1
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|
MCULE-5517747794 |
0.84 |
[C@H]1(CC2=CC(=C(O)C=C2)OC2C(=CC3=C(C=2)[C@H](N(CC3)C)CC2=CC=C(OC)C=C2)OC)N(C)CCC2C=C(OC)C(O)=CC1=2
|
|
MCULE-6225386441 |
0.84 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(O)C=C1)OC1=C(O)C=CC(C[C@H]2N(C)CCC3C=C(C(OC)=CC2=3)OC)=C1
|
|
MCULE-1417610312 |
0.84 |
C1(O)=CC=C(C[C@H]2C3=C(C=C(OC)C(OC)=C3)CCN2C)C=C1OC1=CC2=C(C=C1OC)CCN(C)[C@@H]2CC1=CC=C(OC)C=C1
|
|
MCULE-5545107428 |
0.84 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(O)C=C1)OC1=C(O)C=CC(C[C@H]2N(C)CCC3C=C(OC)C(OC)=CC2=3)=C1
|
|
MCULE-9448174765 |
0.84 |
OC1C(OC2C(OC)=CC3CCN([C@H](CC4C=CC(OC)=CC=4)C=3C=2)C)=CC(C[C@@H]2C3C=C(C(=CC=3CCN2C)OC)OC)=CC=1
|
|
MCULE-9406913648 |
0.84 |
COC1C=C2C(C(N(CC2)C)CC2C=CC(O)=C(OC3C=C4C(CCN(C4CC4C=CC(O)=CC=4)C)=CC=3OC)C=2)=CC=1OC
|
|
MCULE-4656622603 |
0.84 |
OC1C(OC)=CC2[C@H](N(CCC=2C=1)C)CC1C=C(OC2C=CC(C[C@@H]3C4C=C(C(=CC=4CCN3C)OC)OC)=CC=2)C(O)=CC=1
|
|
MCULE-7949916991 |
0.84 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C54)C(O)=CC=3)C=1C=C(OC)C(OC)=C2
|
|
MCULE-8356205204 |
0.84 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(O)=C(OC)C=C54)C(O)=CC=3)C=1C=C(OC)C(OC)=C2
|
|
MCULE-3934803914 |
0.84 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1C=CC(OC2=C(O)C=CC(C[C@H]3NCCC4C=C(C(OC)=CC3=4)OC)=C2)=CC=1)OC
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|
MCULE-5928389662 |
0.84 |
CN1C(CC2C=CC(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)=CC=2)C2C(=CC(OC)=C(OC)C=2)CC1
|
|
MCULE-9710337094 |
0.84 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C54)C(O)=CC=3)C=1C=C(O)C(OC)=C2
|
|
MCULE-4708681685 |
0.84 |
C12=CC(=C(OC)C=C1CCN(C)[C@@H]2CC1C=CC(O)=C(OC2C=CC(C[C@@H]3N(C)CCC4C=C(OC)C(OC)=CC3=4)=CC=2)C=1)OC
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MolPort-020-005-910 |
0.84 |
COC1=CC2=C(CCN(C)[C@@H]2CC2=CC=C(OC3=CC(C[C@H]4N(C)CCC5=C4C=C(OC)C(OC)=C5)=CC=C3O)C=C2)C=C1O
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MolPort-020-005-909 |
0.84 |
COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)=C1)N(C)CC2
|
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MolPort-039-052-321 |
0.84 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4N(C)CCC5=CC(OC)=C(OC)C=C45)C=C3)=C1)N(C)CC2
|
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MolPort-046-594-384 |
0.84 |
COC1=C(OC)C=C2C(CC3=CC=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C3)N(C)CCC2=C1
|
|
MolPort-035-705-715 |
0.82 |
COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1O
|
|
MCULE-9246797226 |
0.81 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC
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|
MCULE-4071188423 |
0.81 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC.Cl
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|
MCULE-8525910674 |
0.81 |
C12=C(CCN(C)[C@@H]1CC1C=CC(O)=CC=1)C=C(OC)C(OC1=CC(=CC=C1O)C[C@H]1N(C)CCC3C=C(OC)C(OC)=CC1=3)=C2.Cl(=O)(O)(=O)=O
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|
MCULE-5235810957 |
0.81 |
OCl(=O)(=O)=O.OCl(=O)(=O)=O.CN1C(CC2C=CC(O)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
MolPort-044-560-957 |
0.81 |
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C(OC)=C1)N(C)CC2
|
|
MolPort-046-684-150 |
0.81 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
MolPort-046-594-320 |
0.81 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1
|
|
MolPort-027-720-883 |
0.81 |
O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
MolPort-039-052-272 |
0.81 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
MolPort-039-052-271 |
0.81 |
O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=CC4=C(CCN(C)[C@@H]4CC4=CC=C(O)C=C4)C=C3OC)=C(O)C=C1)N(C)CC2
|
|
MolPort-039-338-706 |
0.80 |
COC1=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=CC=C1O
|
|
MCULE-2736060136 |
0.80 |
C1C=C2CCN[C@@]([H])(CC3C=CC(O)=CC=3)C2=C(OC)C=1O
|
|
MCULE-5827277495 |
0.80 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
MCULE-6675093805 |
0.80 |
N12CCC3C=C(OC)C(OC)=CC=3C1C(C)C1C=CC(OC)=C(OC)C=1C2
|
|
MCULE-6042650831 |
0.80 |
C1(C=C2CCN3[C@@]([H])(C2=CC=1OC)[C@@H](C)C1C=CC(OC)=C(OC)C=1C3)OC
|
|
MCULE-1328768112 |
0.80 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
MCULE-1935763935 |
0.80 |
COC1C(O)=CC2=C(C3N(CC2)CC2C(=CC=C(C=2OC)OC)C3)C=1
|
|
MCULE-8349247867 |
0.80 |
[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
MCULE-9155587841 |
0.80 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
MCULE-2739186472 |
0.80 |
C1(OC)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
MCULE-5343199995 |
0.80 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
MCULE-9590328189 |
0.80 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
MCULE-9823434055 |
0.80 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@]1([H])CC1=CC=C(OC)C(OC)=C1C2
|
|
MCULE-3987199342 |
0.80 |
C12C([C@]3([H])CC4=CC=C(OC)C(OC)=C4CN3CC1)=CC(O)=C(OC)C=2
|
|
MCULE-9945463658 |
0.80 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@]3([H])C2=CC=1OC
|
|
MCULE-9943627177 |
0.80 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
MolPort-023-332-930 |
0.80 |
COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(O)C=C34)CC2=C1OC
|
|
MolPort-039-052-634 |
0.80 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC(OC)=C4OC
|
|
MolPort-039-052-373 |
0.80 |
COC1=C(OC)C=C2[C@H]3C(C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
MolPort-044-649-467 |
0.80 |
COC1=CC2=C(CCN3CC4=C(CC23)C=CC(OC)=C4OC)C=C1O
|
|
MolPort-002-800-513 |
0.80 |
COC1=C2C(CC3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
MolPort-000-487-312 |
0.80 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
MolPort-001-740-784 |
0.80 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
MolPort-019-996-257 |
0.80 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
|
|
MolPort-001-728-168 |
0.80 |
COC1=CC2=C(C=C1OC)C1C(C)C3=CC=C(OC)C(OC)=C3CN1CC2
|
|
MolPort-046-790-508 |
0.80 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
MolPort-001-728-102 |
0.80 |
COC1=C(OC)C=C2C3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
MolPort-000-881-202 |
0.80 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
|
|
MolPort-001-728-103 |
0.80 |
COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
MolPort-000-882-010 |
0.80 |
COC1=C(O)C=C2CCN3CC4=C(C[C@@H]3C2=C1)C=CC(OC)=C4OC
|
|
MolPort-000-697-827 |
0.79 |
[Cl-].COC1=C(OC)C=C2[C@H]3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
MolPort-009-653-440 |
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MCULE-4109058051 |
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C12[C@@]3([H])CC4C=CC(=C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CC[NH+]3C)OC)C=4)OC
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MCULE-5568998779 |
0.73 |
C1(=C(C=C2C(=C1)C(C(C)C)NCC2)OC)OC.Cl
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MCULE-9723343367 |
0.73 |
[Cl-].[NH+]1(C)CCC2C(=CC(=C(OC)C=2)O)C1CC
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MolPort-039-339-180 |
0.73 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C1=C(OCO1)C=C4
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MolPort-004-946-811 |
0.73 |
Cl.COC1=CC2=C(C=C1OC)C(NCC2)C(C)C
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MolPort-001-728-092 |
0.73 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)N(C)CC2
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MolPort-001-728-115 |
0.72 |
COC1=C2C(C(C#N)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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MolPort-042-605-835 |
0.72 |
Cl.CCC1NCCC2=C(OC)C(OC)=CC=C12
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MolPort-000-882-001 |
0.72 |
C1OC2=CC3=C(C=C2O1)[C@H]1CC2=CC=C4OCOC4=C2CN1CC3
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MolPort-046-153-801 |
0.72 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC1=C4OCO1
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MolPort-003-873-294 |
0.72 |
C1OC2=CC=C3CC4N(CCC5=CC6=C(OCO6)C=C45)CC3=C2O1
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MolPort-001-728-067 |
0.72 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2
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MolPort-002-464-738 |
0.72 |
CCOC1=CC=C(CC2NCCC3=CC(OCC)=C(OCC)C=C23)C=C1OCC
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MCULE-6535474606 |
0.72 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(OCOC2=CC=C(C=C2)CC2N(C)CCC3=CC(OC)=C(OC)C=C23)=CC=1)OC
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MCULE-4496998604 |
0.72 |
C12=C(CCN(C)C1C(C1C=CC=CC=1)C#N)C=C1C(OCO1)=C2OC
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MCULE-9280228877 |
0.72 |
N12CCC3C(=CC4=C(OCCO4)C=3)C1CC1=CC=C(OC)C(OC)=C1C2
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MCULE-6558470679 |
0.72 |
Cl.CCC1C2C=CC(=C(OC)C=2CCN1)OC
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MCULE-2039468423 |
0.72 |
[Cl-].C1(OC)C(OC)=CC2C[NH+](CC3C=C(OC)C(OC)=C(OC)C=3)C(C)(C)CC=2C=1
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MCULE-8926372975 |
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C12C(CC)NCCC1=CC(O)=C(OC)C=2
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MCULE-5248252030 |
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C12OCOC=1C=C1[C@@]3([H])CC4C=CC5OCOC=5C=4CN3CCC1=C2
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MCULE-6929884363 |
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C1C2OCOC=2C2=C(CC3C4=C(C=C5C(OCO5)=C4)CCN3C2)C=1
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MCULE-2672487896 |
0.72 |
C1(O)C=C2CCN3CC4C5OCOC=5C=CC=4C[C@@]3([H])C2=CC=1OC
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MCULE-2324799254 |
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C12=CC(OC)=C(C=C1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC
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MCULE-4908172299 |
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C12C(CCNC1CC1C=CC(=C(OCC)C=1)OCC)=CC(=C(OCC)C=2)OCC
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MCULE-8947407209 |
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C12C=C(OC)C(=CC=1CC(C)(C)NC2C(C)C)OC
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MCULE-3926491748 |
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N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
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MCULE-5543501428 |
0.72 |
C1(OC)C=C2CCN3(=O)CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
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MCULE-5995409132 |
0.72 |
Cl.C12C(CC)NCCC1=CC(O)=C(OC)C=2
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MolPort-046-153-734 |
0.72 |
COC1=C(OC)C=C2[C@@H]3CC4=C(CN3(=O)CCC2=C1)C(OC)=C(OC)C=C4
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MolPort-046-684-160 |
0.72 |
[Cl-].C1OC2=CC3=C(C=C2O1)[C@@H]1CC2=C(C[NH+]1CC3)C1=C(OCO1)C=C2
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MolPort-044-723-129 |
0.71 |
Cl.COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C(C)C
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MolPort-002-137-269 |
0.71 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=C(OC)C(OC)=C(OC)C=C1
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MolPort-046-067-924 |
0.71 |
COC1=C2C(CC#N)N(C)CCC2=CC2=C1OCO2
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MolPort-002-735-113 |
0.71 |
COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C1=CC(OC)=C(OC)C(OC)=C1
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MolPort-045-902-617 |
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COC1=CC(O)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
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MCULE-6619783414 |
0.71 |
C12C(CC=C)NC(CC1=CC(OC)=C(OC)C=2)(C)C
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MCULE-7273307698 |
0.71 |
C12C(CC)[NH2+]CCC1=CC(OC)=C(O)C=2
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MCULE-1567383135 |
0.71 |
Cl.C12C(CCNC1CC1=CC=C(C(OCC)=C1)OCC)=CC(=C(OCC)C=2)OCC
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MCULE-3015011012 |
0.71 |
C1(=CC=C(C(OC)=C1OC)OC)C1N(C)CCC2C=C(OC)C(OC)=CC1=2
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MCULE-6666860128 |
0.71 |
Cl.N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
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MCULE-7447617521 |
0.71 |
C1(OC)C(OC)=CC2C(C(C)C)[NH2+]C(C)(C)CC=2C=1.[Cl-]
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MCULE-2672501952 |
0.71 |
C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
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MCULE-7486820875 |
0.71 |
C12C(CC#N)N(C)CCC1=CC1=C(OCO1)C=2OC
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MCULE-3054263843 |
0.71 |
C12C(C3C=C(OC)C(OC)=C(OC)C=3)NC(C)(C)CC1=CC(OC)=C(OC)C=2
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MCULE-9920058500 |
0.71 |
COC1=CC(O)=C(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)C=C1
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MCULE-2710524895 |
0.71 |
C1(=CC=C(C(C)=C1OC)OC)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
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MCULE-7915248745 |
0.71 |
N1(C)C(CC2C(N(=O)=O)=CC(OC)=C(OC)C=2)C2C(OC)=C(OC)C(OC)=CC=2CC1
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MCULE-5427071523 |
0.71 |
C12[C@@]3([H])CC4C=CC(=C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CC[NH+]3C)OC)C=4)OC.N(=O)(=O)[O-]
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MCULE-5864844603 |
0.71 |
Cl.C12C(CC=C)NC(CC1=CC(OC)=C(OC)C=2)(C)C
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MCULE-4219301859 |
0.71 |
[Cl-].Cl.[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CC=C
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MCULE-8053846682 |
0.71 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(C)CC1=CC=C(C(OC)=C1)O
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MCULE-7643258857 |
0.71 |
[Cl-].C12C(CC)[NH2+]CCC1=CC(OC)=C(O)C=2
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MCULE-3358675822 |
0.71 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(C)=O
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MCULE-9975057309 |
0.71 |
Cl.C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
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MCULE-2727374319 |
0.71 |
COC1C=CC(CNC(CC2C=CC=CC=2C)C)=C(OC)C=1OC
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MCULE-7990990557 |
0.71 |
C1(O)=C2CNCCC2=CC(OC)=C1OC
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MolPort-002-141-886 |
0.71 |
COC1=C(C)C(OC)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
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MolPort-009-757-788 |
0.71 |
O[N+]([O-])=O.COC1=CC=C2C[C@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
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MolPort-000-717-023 |
0.71 |
[O-][N+]([O-])=O.COC1=CC=C2C[C@H]3[NH+](C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
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MolPort-009-757-600 |
0.71 |
Cl.Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC(C)(C)C2
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MolPort-000-700-360 |
0.71 |
Cl.[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C(C)(C)CC2=C1
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MolPort-002-116-340 |
0.71 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC(C)(C)C2
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MolPort-044-721-990 |
0.71 |
COC1=CC(CC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1O
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MolPort-006-126-296 |
0.71 |
COC1=CC=C(CC2N(CCC3=C2C=C(OC)C(OC)=C3)C(C)=O)C=C1OC
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MCULE-7323335479 |
0.70 |
[H]Cl.C12C(C3C=C(OC)C(OC)=C(OC)C=3)NC(C)(C)CC1=CC(OC)=C(OC)C=2
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MCULE-2323933304 |
0.70 |
C12(CC3C=CC=CC=3)N(CCC3C=C(OC)C(OC)=CC1=3)CC1C=CC=CC2=1
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MCULE-1083665298 |
0.70 |
[C@H]1(CC2=CC=C(OC)C(OC)=C2)C2=C(C=C3OCOC3=C2)CCN1
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MCULE-3428081362 |
0.70 |
C12=CC(=C(OC)C=C1CCN(C=O)C2CC1=CC=C(O)C(OC)=C1)O
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MCULE-5647902877 |
0.70 |
C12CN(C)CCC=1C1=C(C3C(C=C1)=CC(=C(OC)C=3)OC)C(OC)=C2OC
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MCULE-6670637458 |
0.70 |
Cl.C1(O)=C2CNCCC2=CC(OC)=C1OC
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MCULE-3077149833 |
0.70 |
C1(C2NCCC3=CC(O)=C(O)C=C23)=CC=C(C(OC)=C1OC)OC
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MCULE-2750201534 |
0.70 |
C12C=CC(=CC=1CCNC2CC1C=CC=CC=1)OC
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MCULE-6896204955 |
0.70 |
COC1=CC2CCNC(C)(C)C=2C(OC)=C1
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MCULE-5863201072 |
0.70 |
C1(OC)C(OC)=CC2C[NH+](CC3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
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MolPort-009-758-638 |
0.70 |
Cl.Cl.COC1=CC(C[C@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(C[C@@H]4N(C)CCC5=CC(OC)=C(O)C3=C45)=C2)C=C1OC
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MolPort-000-840-202 |
0.70 |
Cl.Cl.COC1=CC(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4N(C)CCC5=CC(OC)=C(O)C3=C45)=C2)C=C1OC
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MolPort-039-193-868 |
0.70 |
COC1=CC2=C(C=C1OC)C1=C(C=C2)C2=C(CN(C)CC2)C(OC)=C1OC
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MolPort-044-561-571 |
0.70 |
COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1[C@@H](CC1=CC=C(OC(=O)C5=CC=C(C=C5)[N+]([O-])=O)C(OC5=CC=C(C[C@@H]3N(C)CC2)C=C5)=C1)N(C)CC4
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MolPort-007-564-079 |
0.70 |
COC1=CC2=C(CC(C)(C)N(CC3=CC=CC=C3)C2)C=C1OC
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MolPort-002-743-286 |
0.69 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC
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MolPort-003-801-398 |
0.69 |
COC1=CC2=C(C=C1)C(CC1=CC=C(OC)C(OC)=C1)N(CC2)C=O
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|
MolPort-023-247-353 |
0.69 |
COC1=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=CC=C1
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MolPort-002-140-770 |
0.69 |
COC1=CC=C(CN2CCC3=CC=CC=C3C2)C(OC)=C1OC
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MolPort-002-112-582 |
0.69 |
COC1=C(OC)C=C2CN(CC3=CC=CC(OC4=CC=CC=C4)=C3)CCC2=C1
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|
MolPort-003-180-376 |
0.69 |
COC1=CC=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1OC
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MolPort-002-054-184 |
0.69 |
COC1=C(OC)C=C2[C@H](NCCC2=C1)[C@H](CO)C1=CC=CC=C1
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MolPort-008-440-375 |
0.69 |
Cl.COC1=CC2=C(C=C1)C(CC1=CC=CC=C1)NCC2
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|
MolPort-001-728-093 |
0.69 |
COC1=CC(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4N(C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
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MolPort-046-142-120 |
0.69 |
Cl.COC1=CC(OC)=C2C(CCNC2(C)C)=C1
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|
MCULE-6323143737 |
0.69 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC
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|
MCULE-5420536073 |
0.69 |
C1(OC)=C(O)C=C2C(CCN(C)C2CC(C)C)=C1
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|
MCULE-4424506182 |
0.69 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(=O)C1C=C(OC)C(=C(OC)C=1)OC
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MCULE-1150777889 |
0.69 |
C1(CC2C=CC(=C(OC)C=2)OC)C2=CC=C(C=C2CCN1C=O)OC
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|
MCULE-2539532957 |
0.69 |
C1(O)=C2CCN(CC2=CC(OC)=C1OC)C
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MCULE-7316025182 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(=C1)OC1C=CC=CC=1
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|
MCULE-1577366882 |
0.69 |
C1(OC)C(OC)=CC=C(CN2CCC3=C(C=CC=C3)C2)C=1OC
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MCULE-5732979835 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1OC
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|
MCULE-1302323363 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(OC)=C1OC
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|
MCULE-9677623954 |
0.69 |
Cl.C1(C2NCCC3=CC(O)=C(O)C=C23)=CC=C(C(OC)=C1OC)OC
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|
MCULE-4188451568 |
0.69 |
C12=C(CCNC1([H])C(CO)C1=CC=CC=C1)C=C(C(OC)=C2)OC
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|
MCULE-4841277550 |
0.69 |
C12=C3CCN(C)C1CC1=C(C=C(C(OC4C=C(OC)C(=CC=4CC4N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
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MCULE-8602017791 |
0.69 |
C12=C3CCN(C)[C@@]1([H])CC1=C(C=C(C(OC4=CC(OC)=C(C=C4C[C@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
MCULE-4042690278 |
0.69 |
C12C=C(OC)C(=CC=1CC1C3=C(C=C(OC)C(O)=C23)CN(C)C1)OC1C(=CC=C(OC)C=1OC)CC1N(C)CCC2C=C(OC)C(OC)=CC1=2
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|
MCULE-6991996661 |
0.69 |
COC1=CC2CCNC(C)(C)C=2C(OC)=C1.Cl
|
|
MCULE-6980021409 |
0.69 |
Cl.C12C=CC(=CC=1CCNC2CC1C=CC=CC=1)OC
|
|
MCULE-9280139201 |
0.69 |
[N+]1(C)(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(OC)C(OC)=C1)CC(=O)C1=CC=C(Cl)C=C1
|
|
MCULE-6312725175 |
0.69 |
[Cl-].C1(OC)C(OC)=CC2C[NH+](CC3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
|
|
MCULE-1681980695 |
0.69 |
COC1C(OC)=CC2=C(CCNC2C2CC2)C=1
|
|
MCULE-8073345152 |
0.69 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC.Cl
|
|
MCULE-3993706568 |
0.69 |
C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
|
|
MCULE-3329567447 |
0.69 |
C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
MCULE-9876526208 |
0.69 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC
|
|
MCULE-6278276399 |
0.69 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC.C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC.C(O)(=O)C(O)=O
|
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MCULE-1217098862 |
0.69 |
COC1C(OC)=C(OC)C=C(C(NC(CC2C=CC=CC=2C)C)C)C=1
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|
MCULE-7353183212 |
0.69 |
C12=C(CCNC1C1=CC=C(C=C1O)OC)C=C(C(OC)=C2)OC
|
|
MCULE-7839566309 |
0.69 |
Cl.Cl.C12=C3CCN(C)[C@@]1([H])CC1=C(C=C(C(OC4=CC(OC)=C(C=C4C[C@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
MCULE-9694461865 |
0.69 |
[Cl-].[Cl-].C12=C3CC[NH+](C)C1CC1=C(C=C(C(OC4=CC(OC)=C(C=C4CC4C5=CC(OC)=C(C=C5CC[NH+]4C)OC)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
MCULE-7236304921 |
0.69 |
C1(=CC(=C(OC)C=C1OC)OC)C1NCCC2=CC(O)=C(O)C=C12
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MolPort-000-831-098 |
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MolPort-044-179-714 |
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MCULE-5024944275 |
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MolPort-001-974-917 |
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MolPort-003-181-932 |
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MolPort-001-621-799 |
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COC1=CC(CNC(CC2=CC=CC=C2)C2=CC=CC=C2)=C(OC)C=C1OC
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MolPort-000-938-003 |
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COC1=CC=C(CCNCC2=CC=C(OC)C(OC)=C2OC)C=C1OC
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MolPort-004-964-935 |
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MolPort-005-272-168 |
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MCULE-7390336494 |
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MCULE-7780395963 |
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MCULE-5282385555 |
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MCULE-1777801929 |
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MCULE-6834655704 |
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C1(OC)C(OC)=C(OC)C=CC=1[C@@H]1CCCN1
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MCULE-1120736872 |
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MCULE-9100599955 |
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MCULE-3506509457 |
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MCULE-5822418145 |
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C1C2CCNC(C=2C=C(C=1O)O)CC1C=CC=CC=1
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MCULE-5532125488 |
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MCULE-1979767083 |
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C12=CC(=C(OC)C=C1CN(CC2)C)OC
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MCULE-9579344689 |
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MCULE-4199706131 |
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C12CCN[C@@H](C)C=1C=C(C(OC)=C2)OC
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MCULE-1789472920 |
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C12C(C)N(C)CCC1=CC(OC)=C(O)C=2
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MCULE-6678151641 |
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MCULE-5208641014 |
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[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1
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MCULE-7536573036 |
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C12[C@@H](C)NCCC=1C=C(C(OC)=C2)OC
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MCULE-8969475630 |
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MCULE-3469328984 |
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MCULE-3376900525 |
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OC1=C(O)C=C(CC2C3=C(C=C(C(=C3)O)O)CCN2)C=C1
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MCULE-9371937190 |
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[I-].C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
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MCULE-5267015184 |
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MCULE-9930157051 |
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MCULE-3618491803 |
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C1(C(=CC2C(N(C(=O)C3C=CC(Cl)=CC=3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
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MCULE-2790734169 |
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MCULE-9302373606 |
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C1(C(=CC2C(CC3C=C(OC)C(OC)=CC=3)N(C(=S)NC)CCC=2C=1)OC)OC
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MCULE-1695698142 |
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MCULE-6840023402 |
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C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC.Cl.Cl
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MCULE-2444936690 |
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C12CN(C)CCC1=CC1OCOC=1C=2OC.Cl
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MCULE-9608406063 |
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N1(C(C)CCC2=CC=C(C=C2)OC)CCC2=C(C=C(C(OC)=C2)OC)C1
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MCULE-3689751657 |
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MCULE-1596792802 |
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N1(C(C)CCC2=CC=C(C=C2)O)CCC2=C(C=C(C(OC)=C2)OC)C1
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MCULE-8302105686 |
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[H]Cl.C1(=C(OC)C=C2C(CCNC2C2=CC(OC)=C(OC)C(OC)=C2)=C1)OC
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MCULE-8027458524 |
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MCULE-6478203733 |
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MCULE-7130646405 |
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COC1C(OC)=CC(OC)=C(CNC(CC2C=CC=CC=2OC)C)C=1
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MCULE-3675906321 |
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C12=CC(=C(OC)C=C1CCN(CC1C=C(C(O)=C(C)C=1)C)C2C)OC
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MCULE-4708244705 |
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C1(CC2N(C)CCC3C=C4C(OCO4)=C(OC)C2=3)C(=CC(=CC=1N(=O)=O)N(=O)=O)N(=O)=O
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MCULE-8549974679 |
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MCULE-2340989448 |
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COC1=CC2=C(C(NC(C2)C)C)C=C1
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MCULE-4220530900 |
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C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC
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MCULE-2801266347 |
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C12C(CCN(C)C1CC(CCC(C)=O)=O)=CC1=C(OCO1)C=2OC
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MCULE-9653978221 |
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MCULE-5237128595 |
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C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
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MCULE-8175727011 |
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C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
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MCULE-1368284170 |
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MCULE-3205404587 |
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C12=C(CCN(C)C1CC(O)=O)C=C1C(OCO1)=C2OC
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MCULE-8379022534 |
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O=C(CC/C=C/CCC(=O)OCCC[N@@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=C(OC)C=1)OC)OC)C)OCCC[N@@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=C(OC)C=1)OC)OC)C
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MCULE-2190119760 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(C)=C1OC)OC
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MCULE-9551453241 |
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C12C(CN)N(C)CCC=1C=C1C(OCO1)=C2OC
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MCULE-7681675590 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1O)OC
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MCULE-9415991713 |
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COC1=C(OC)C=C2C(CCN(C(C3=C(OC4=CC=CC=C4)C=CC=C3)=O)C2)=C1
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MCULE-9950210114 |
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C1(NCCC2C=C(C(OCC)=CC1=2)OCC)C1=C(C=CC=C1O)OC
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MCULE-1720666642 |
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C1(OC)=C(OC)C=C2CN3CCC(N)C[C@]3(CC2=C1)[H]
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MCULE-7517414708 |
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[Cl-].[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
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MCULE-5129842203 |
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C12C(CCO)NCCC=1C=C(C(OCC)=C2)OCC
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MCULE-9637383095 |
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C12C=C(OC)C(=CC=1CC(NC2C1=CC=CC=C1)(CC)CC)OC.Cl
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MCULE-7067373687 |
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[H]Cl.C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
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MCULE-2722992989 |
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[H]Cl.C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
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MCULE-9342278607 |
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[H]Cl.C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
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MCULE-6139767432 |
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C12C(CCNC1C1=CC=C(OC)C=C1OC)=CC(O)=C(O)C=2
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MCULE-1683851938 |
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C12C(CCNC1C1=CC=CC(OC)=C1OC)=CC(O)=C(O)C=2
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MCULE-1410384787 |
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[Cl-].[NH+]1(CC2C=CC(Br)=CC=2)CC2C=C(OC)C(=CC=2CC1(C)C)OC
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MCULE-5443813555 |
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COC1=C(OC)C=C2C(CCN(C2)CC2=C(O)C=C(C)C(C)=C2)=C1
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MCULE-5392134473 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(OCC)=C1O
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MCULE-3216651256 |
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C12(CC3C=C(OC)C(OC)=CC=3C1)N(C)CC1C2=CC=CC=1
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MCULE-3682831949 |
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N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC(=CC=1)C
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MCULE-5525078601 |
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N1(C(OCC)=O)CCC2C(=CC(=C(OC)C=2OC2=C(OC)C=C3C(C(CC4C=CC(OCC5C=CC=CC=5)=CC=4)N(CC3)C(OCC)=O)=C2)O)C1CC1=CC=C(OCC2=CC=CC=C2)C=C1
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MCULE-2580202854 |
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MCULE-4488135397 |
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C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
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MCULE-9824572468 |
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C12C(CCN(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
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MCULE-4722878192 |
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C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
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MCULE-1239040532 |
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C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
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MCULE-8952586676 |
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C(C)(=O)OC1C=CC(CC2C3C=C(OC)C(OC)=C(C=3CCN2C)OCC2C=CC=CC=2)=CC=1
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MCULE-1523077282 |
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N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC(OC)=C(C(OC)=C1)OC
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MCULE-4515701134 |
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N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(=O)C1C=CC(=CC=1)C
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MCULE-5136907017 |
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Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
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MCULE-2040765671 |
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C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC
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MCULE-2190839823 |
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[Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
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MCULE-5593923284 |
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C12C(CC3=CC=CC=C3)NCCC1=CC(OC)=C(OCC1=CC=CC=C1)C=2.Cl
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MCULE-1060457103 |
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C12=C(CCNC1C1=CC=C(C=C1OC)OC)C=C(C(OCC)=C2)OCC
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MCULE-5345347233 |
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C12CN(C)CCC=1C=C1C(OCO1)=C2OC
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MCULE-6081058328 |
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C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2.Cl
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MCULE-5750570919 |
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[Cl-].C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
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MCULE-6015231694 |
0.66 |
C12=C(CCNC1C1=CC=CC=C1OC)C=C(C(OC)=C2)OC
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MCULE-1717532294 |
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COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC2=C3C(C=CC=C3)=CC=C2O)=C1
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MCULE-3081400448 |
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C12=C(CCNC1C1=CC=CC(OC)=C1OC)C=C(C(OC)=C2)OC
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MCULE-7065918854 |
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C12=C(CCNC1C1C=C(OC)C=C(OC)C=1)C=C(C(OC)=C2)OC
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MCULE-1882199230 |
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C12C(CCNC1C1C=C(OC)C(=C(OC)C=1)OC)=CC(=C(OC)C=2)OC
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MCULE-1062126284 |
0.66 |
C12=C(CCNC1C1C=C(OC)C(=C(OC)C=1)O)C=C(C(OC)=C2)OC
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MCULE-3833284194 |
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MCULE-9823585858 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1OCC
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MCULE-9277329526 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(C)C1=CC=CC=C1
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MCULE-1841070863 |
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Cl.C12CN(C)CCC1=CC=C(OC)C=2O
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MCULE-8491594091 |
0.66 |
Cl.CCC1C2=C(C=C(C=C2)OC)CCN1
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MCULE-2963861489 |
0.66 |
CCCN1CC2=C(C=C(C(=C2)OC)OC)CC1
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MCULE-3884418649 |
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C12C(CCN(C)C1CC1C=CC(=CC=1)NC(C1C=CC=CC=1)=O)=CC1=C(OCO1)C=2OC
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MCULE-4400069664 |
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C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
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MCULE-3528726804 |
0.66 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
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MCULE-9783615335 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
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MCULE-8925829552 |
0.66 |
[I-].[I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(OC)C(C2=CC(CC3C4=CC(OC)=C(C=C4CC[N+]3(C)C)OC)=CC=C2OC)=C1
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MCULE-8835467700 |
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COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
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MCULE-8916714448 |
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C1(OC)C(OC)=CC2C[NH+](CC3C(Cl)=CC=CC=3)C(C)(C)CC=2C=1
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MCULE-1702638590 |
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[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1C=CC=CC=1
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MCULE-2955483198 |
0.66 |
C1(OC)C(OC)=CC2C[NH+](CC3C(Cl)=CC=CC=3)C(C)(C)CC=2C=1.[Cl-]
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MCULE-9866809094 |
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C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
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MCULE-2468125249 |
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C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
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MCULE-8183680162 |
0.66 |
C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
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MCULE-9661243315 |
0.66 |
C12CCNC(C1=CC(=C(C=2)OC)OC)CCCO
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MCULE-1428017179 |
0.66 |
C12C=C(OC)C(=CC=1CC(NC2C1=CC=CC=C1)(CC)CC)OC
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MCULE-5941065349 |
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C12C(CC(C)C)NCCC1=CC(OC)=C(OCC)C=2
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MCULE-9021428536 |
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[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
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MCULE-9454496995 |
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N1(CC2=CC=C(Br)C=C2)CC2C=C(OC)C(=CC=2CC1(C)C)OC
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MolPort-000-706-016 |
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[I-].COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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MolPort-000-701-087 |
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[I-].COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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MolPort-000-719-711 |
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[I-].CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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MolPort-001-728-083 |
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MolPort-016-584-259 |
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MolPort-002-821-657 |
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COC1=CC2=C(C=C1OC)C(C)N(CCC1=CC=C(Cl)C=C1)CC2
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MolPort-002-150-422 |
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COC1=CC=C(CCC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
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MolPort-002-150-185 |
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MolPort-003-360-678 |
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MolPort-000-769-292 |
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MolPort-044-722-162 |
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MolPort-000-734-320 |
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MolPort-002-514-797 |
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MolPort-000-728-775 |
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MolPort-009-766-674 |
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MolPort-002-140-590 |
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MolPort-008-266-772 |
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MolPort-046-417-356 |
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MolPort-002-150-254 |
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MolPort-046-418-564 |
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MolPort-046-418-565 |
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MolPort-013-438-223 |
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MolPort-002-160-253 |
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MolPort-021-475-927 |
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MolPort-002-141-160 |
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MolPort-046-510-668 |
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MolPort-003-964-680 |
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MolPort-002-712-911 |
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MolPort-002-713-039 |
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MolPort-002-520-180 |
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MolPort-003-180-328 |
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MolPort-002-515-696 |
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MolPort-002-141-202 |
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MolPort-002-515-733 |
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MolPort-009-308-429 |
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MolPort-002-514-879 |
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MolPort-000-725-791 |
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MolPort-002-713-093 |
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MolPort-002-712-224 |
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MolPort-007-019-075 |
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MolPort-002-712-296 |
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MolPort-002-141-909 |
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MCULE-1345795589 |
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N1(C(C)=O)CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(O)=C(C2C=C(CC3C4=CC(OC)=C(C=C4CCN3C(C)=O)OC)C=CC=2O)C=1
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MCULE-1113464746 |
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MCULE-9123953406 |
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MCULE-4257770613 |
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MCULE-1944276895 |
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MCULE-7622013095 |
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MCULE-2778111901 |
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MCULE-6391070209 |
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MCULE-4774587889 |
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MCULE-2941367589 |
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MCULE-3005077034 |
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MCULE-2456578158 |
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MCULE-9314140769 |
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MCULE-5039186295 |
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[Cl-].[NH+]1(CC#C)CCC2C(=CC(=C(OC)C=2)OC)[C@@H]1C
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MCULE-5820865271 |
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MCULE-9366444289 |
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MCULE-2311532359 |
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MCULE-5025873294 |
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MCULE-5573353684 |
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MCULE-3536652377 |
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MCULE-2160746059 |
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MCULE-8515575426 |
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MCULE-3109474662 |
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C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC.[I-]
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MCULE-3837596665 |
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C12=C(CCN(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
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MCULE-1778111412 |
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MCULE-3953892889 |
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C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
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MCULE-2094664166 |
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C12=C(CCN(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
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MCULE-2162713624 |
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MCULE-7549371076 |
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MCULE-8004346723 |
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MCULE-6153884916 |
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MCULE-5453763516 |
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MCULE-7475788963 |
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MCULE-3614579542 |
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MCULE-2463028759 |
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MCULE-8030799675 |
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COC1=CC2=C(CN(CC32CC3)CC2CC2)C=C1
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MCULE-6609374829 |
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C12=C(CCNC1C1=CC(OC)=C(C(OC)=C1)O)C=C(C(OCC)=C2)OCC.[H]Cl
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MCULE-9961762087 |
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MCULE-3261394749 |
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[I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
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MCULE-2921076734 |
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MCULE-6985787510 |
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MCULE-9834052403 |
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C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
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MCULE-7208517582 |
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C(C(=O)NC(C1N(CC2=CC=CC(C)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
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MCULE-3583266738 |
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C(C(=O)NC(C1N(CC2=CC=CC(C)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)C
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MCULE-9415024151 |
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CC(=O)NC(C1N(CC)CCC2C1=CC(OC)=C(OC)C=2)C(C)C
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MCULE-8481717022 |
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C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
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MCULE-2247233149 |
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C1(C(=O)NC(C2N(CC3=CC=CC(OC)=C3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
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MCULE-7470505067 |
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N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(=O)C1C=CC(=C(Cl)C=1)C
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MCULE-6414657551 |
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C12CN(C)CCC3=C(C=C4C(OCO4)=C3)C(=O)CC=1C=CC(OC)=C2OC
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MCULE-7318164196 |
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O1COC2C1=CC1CCN(C)CC3C4=C(C=CC=3CC(O)C=1C=2)OCO4
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MCULE-6510116068 |
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[N+]1(C)(CC2C=CC=CC=2)CCC2C(=CC(=C(OC)C=2)O)C1.[Cl-]
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MCULE-5802772415 |
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MCULE-9871202346 |
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MCULE-8850884333 |
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MCULE-2709682959 |
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COC1C=C2C(CN(CC2)CCC2CNCCC2)=CC=1OC
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MCULE-4113511296 |
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C12=C(CCNC1C1=CC(Cl)=CC=C1O)C=C(C(OC)=C2)OC
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MCULE-4052049756 |
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C12C(CCNC1CC(O)=O)=CC(=C(OC)C=2)OC
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MCULE-6302151901 |
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C12=CC(OC)=C(C=C1CN(CCC(C)=O)CC12CCCC1)OC
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MCULE-8716977248 |
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COC1C=CC2C(NCCN3CC4C=CC=CC=4CC3)CCC=2C=1OC
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MCULE-9615733458 |
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N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CN(CC)CC
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MCULE-1748563412 |
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N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CN(C)C(C)C
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MCULE-5259275759 |
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O(CC1C=CC=CC=1)C1C(OC)=CC2CCN(C)C(CC3C=CC(OC)=C(C=3)Br)C=2C=1
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MCULE-6266274020 |
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N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CNC(C)C
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MCULE-6360232919 |
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C1(C(=CC2C(N(C(=O)C3C=C(C(F)(F)F)C=CC=3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
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MCULE-1215482992 |
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N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CNC(C)(C)C
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MCULE-1789306269 |
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C1(=C(C=C2C(N(C(C3C=CC(SC)=CC=3OC)=O)CCC2=C1)CC1C=C(C(=CC=1)OC)OC)OC)OC
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MCULE-3633827785 |
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C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC
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MCULE-2472926646 |
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MolPort-044-810-600 |
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MolPort-002-713-774 |
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MolPort-002-149-219 |
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COC1=C(OC)C=C2CN(CC3CCC=CC3)CCC2=C1
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MolPort-027-713-825 |
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MolPort-000-496-429 |
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MolPort-008-421-781 |
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MolPort-002-534-100 |
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MolPort-000-698-521 |
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MolPort-000-719-611 |
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MolPort-002-519-935 |
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MolPort-000-699-103 |
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MolPort-000-516-076 |
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MolPort-002-517-309 |
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MolPort-009-757-874 |
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MolPort-005-112-131 |
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MolPort-009-757-909 |
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MolPort-003-183-585 |
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MolPort-005-555-634 |
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MolPort-009-757-900 |
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MolPort-009-574-331 |
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MolPort-002-823-393 |
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MolPort-001-848-230 |
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MolPort-000-711-992 |
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MolPort-002-713-496 |
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MolPort-002-713-281 |
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MolPort-002-515-445 |
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MolPort-002-513-104 |
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MolPort-002-514-448 |
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MolPort-002-513-153 |
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MolPort-002-513-221 |
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MolPort-000-747-804 |
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MolPort-002-513-268 |
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MolPort-000-516-074 |
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MolPort-002-515-970 |
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MolPort-000-699-424 |
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MolPort-002-513-294 |
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MolPort-002-513-253 |
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MolPort-002-513-260 |
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MolPort-000-741-599 |
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MolPort-000-516-077 |
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MolPort-000-742-857 |
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MolPort-000-516-083 |
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MolPort-006-527-113 |
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MolPort-006-527-118 |
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MolPort-002-160-236 |
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MolPort-016-931-765 |
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MolPort-006-527-108 |
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MolPort-003-786-462 |
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MolPort-016-931-766 |
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MolPort-002-743-285 |
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MolPort-002-511-531 |
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MolPort-001-742-532 |
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MolPort-009-757-539 |
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MolPort-002-512-284 |
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MolPort-001-611-642 |
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MolPort-046-598-076 |
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MolPort-046-598-078 |
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MolPort-000-719-633 |
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MolPort-002-001-148 |
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MolPort-002-054-049 |
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MolPort-021-804-564 |
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MolPort-002-710-845 |
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MolPort-002-514-481 |
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MolPort-000-927-791 |
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MolPort-001-639-336 |
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MolPort-000-937-984 |
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MolPort-002-513-196 |
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MolPort-002-160-254 |
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MolPort-020-105-554 |
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MolPort-002-658-429 |
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MolPort-000-754-326 |
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MolPort-045-902-550 |
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MolPort-004-234-067 |
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MolPort-000-742-129 |
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MolPort-039-194-377 |
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MolPort-000-715-645 |
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MolPort-002-115-077 |
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MolPort-006-643-741 |
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MolPort-009-028-956 |
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MolPort-035-391-196 |
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MolPort-002-513-949 |
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MolPort-001-728-125 |
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MCULE-1225344999 |
0.62 |
[Cl-].N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C[NH2+]C(C)C
|
|
MCULE-5322602675 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C[NH+](C)C(C)C.[I-]
|
|
MCULE-2566643609 |
0.62 |
[Cl-].N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C[NH2+]C(C)(C)C
|
|
MCULE-5971524967 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC=C(C=C1)OC(F)F
|
|
MCULE-6135387475 |
0.62 |
Cl.C12=C(CCNC1CC(O)=O)C=C(C(OC)=C2)OC
|
|
MCULE-9083035230 |
0.62 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C)=O)CC12CCCC1)OC
|
|
MCULE-4682163022 |
0.62 |
C12=C(CCN(C)C1CC1=CC=CC=[N+]1C)C=C1C(OCO1)=C2OC.[Cl-]
|
|
MCULE-9072160710 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CN1CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C
|
|
MCULE-1210210850 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
MCULE-2502550649 |
0.62 |
C12C(CCN(C)C1CC(C1C=CC(=CC=1)C)=NO)=CC1=C(OCO1)C=2OC
|
|
MCULE-5069392283 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C1C=CC(=CC=1)OC1=CC=CC=C1
|
|
MCULE-4590535899 |
0.62 |
N1(CC2C=C(OC)C(=CC=2CC1(C)C)OC)C(C1C=CC=CC=1)=O
|
|
MCULE-8095459379 |
0.62 |
C12=C(CCNC1C1=CC(OC)=CC=C1O)C=C(C(OCC)=C2)OCC
|
|
MCULE-4901337019 |
0.62 |
C1(OC)=C(C=CC=C1CNC1CCC2=C(C=CC=C2)C1)OC
|
|
MCULE-8191828297 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)C#N
|
|
MCULE-7506173395 |
0.62 |
C12CNCCCC1=CC=C(OC)C=2OC
|
|
MCULE-2707108183 |
0.62 |
C1(C(=CC2C(N(C(=O)NC3CCCCC3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
MCULE-5366850109 |
0.62 |
C1(C(=CC2C(N(C(=S)NC3CCCCC3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
MCULE-1714667500 |
0.62 |
[Cl-].[NH2+]1CCC2C(=CC(=C(OC)C=2)O)C1
|
|
MCULE-5476883252 |
0.62 |
[NH2+]1CCC2C(=CC(=C(O)C=2)OC)C1.[Cl-]
|
|
MCULE-4508435763 |
0.62 |
C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
MCULE-5574529686 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
MCULE-2144214276 |
0.62 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
MCULE-6248551129 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
|
|
MCULE-6113831221 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
MCULE-2746264213 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC(=C(Cl)C=1)Cl
|
|
MCULE-7480310093 |
0.62 |
COC1C=CC(C(NC(CCN)=O)CC2C=CC=CC=2C)=CC=1OC
|
|
MCULE-9195428931 |
0.62 |
COC1C=CC2C(N(C(CC=2C=1)C)CC1CNCCC1)C
|
|
MCULE-7379988878 |
0.62 |
Cl.C12C(C)NCC(O)C1=CC=C(OC)C=2O
|
|
MCULE-4030860462 |
0.62 |
COC1C=CC(C(NC(C(CN)C)=O)CC2C=CC=CC=2C)=CC=1OC
|
|
MCULE-4424541265 |
0.62 |
C12C(CCN(C)C1CC(C(C/C=C(/C)\C)C/C=C(\C)/C)=NO)=CC1=C(OCO1)C=2OC
|
|
MCULE-8022169604 |
0.62 |
N1(C(OCC)=O)CCC2C(=CC(=C(OC)C=2)O)C1CC1C=CC(O)=CC=1
|
|
MCULE-1325164895 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)C1CCC2=C(C=CC=C2)C1
|
|
MCULE-3372139051 |
0.62 |
[H]Cl.C12=C(CCNC1C1=CC=CC=C1OCC)C=C(C(OCC)=C2)OCC
|
|
MCULE-4680595689 |
0.62 |
C12CN(C)CCC3C(=CC(=C(OC)C=3)OC)C(=O)CC=1C=CC1OCOC2=1
|
|
MCULE-1283993562 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1Cl
|
|
MCULE-1361991563 |
0.62 |
N1(CCC2=CC(OC)=C(OC)C=C2C1C)C(C)=O
|
|
MCULE-2566681294 |
0.62 |
Cl.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1Cl
|
|
MCULE-4606179260 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC2=C(OCO2)C=1
|
|
MCULE-9592689512 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(Cl)=C1
|
|
MCULE-4598725164 |
0.62 |
[NH+]1(CCC2=C(C=C(C(O)=C2)OC)[C@@H]1C)CC(CNCCO)O
|
|
MCULE-7001347500 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1Cl
|
|
MCULE-9377846925 |
0.62 |
COC1=CC2=C(CC(C3=CC=CC=C3)N(C2)CC2CCNCC2)C=C1
|
|
MCULE-2673032310 |
0.62 |
COC1C=C2C(CN(CC2)CC2(CNCC2)C)=CC=1OC
|
|
MCULE-4622431037 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCN(CC1)C
|
|
MCULE-1649478493 |
0.62 |
COC1C(OC)=C(OC)C=C(CNC2C3C=CC=CC=3C(C)(C)CC2)C=1
|
|
MCULE-9979421344 |
0.62 |
COC1C=C2C(CN(CC2)CCC2CNCC2)=CC=1OC
|
|
MCULE-3444383736 |
0.62 |
[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(Cl)=C1
|
|
MCULE-8269097952 |
0.62 |
C12C(CCN(C)C1C1CC3=C(C=C(C(OC)=C3)OC)C1=O)=CC1=C(OCO1)C=2OC
|
|
MCULE-7770524819 |
0.62 |
C1=CC(=CC(OC)=C1)C(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C
|
|
MCULE-8476633080 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC=C1OCC
|
|
MCULE-5221326965 |
0.62 |
C1(C(=O)NC(C2N(CC3=CC=C(C=C3)C)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
|
|
MCULE-9018722707 |
0.62 |
CNC(CN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
MCULE-7895611496 |
0.62 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)C)CCC2C1=CC(OC)=C(OC)C=2)C)C1C=CC=CC=1
|
|
MCULE-4820895135 |
0.62 |
C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)CC1
|
|
MCULE-5788232203 |
0.62 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
MCULE-1734840408 |
0.62 |
C1(OC)C(OC)=CC=C(CNCCC2=CC=CC=C2OC)C=1OC
|
|
MCULE-4787534732 |
0.62 |
C12C=C(OC)C(=CC=1CNC(C)(C)C2O)OC
|
|
MCULE-5343091851 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=CC=C1C(F)(F)F)OC
|
|
MCULE-3204199451 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC2CCNCC2)=C1
|
|
MCULE-2226293680 |
0.62 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=NO)C(CC(C)C)C2
|
|
MCULE-2180880212 |
0.62 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1C/C(=N\O)/C(CC(C)C)C2
|
|
MCULE-3133061092 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1Br
|
|
MCULE-6993630467 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2)CC#C)=C1
|
|
MCULE-5912677204 |
0.62 |
Cl.C12C(C3C=CC(OC)=C(OC)C=3)CNCC=1C=C(OC)C(OC)=C2
|
|
MCULE-2479783706 |
0.62 |
COC1C=C2C(CN(CC2)CCNCC2C=CC=CC=2)=CC=1OC
|
|
MCULE-1528752201 |
0.62 |
Cl.C12C(C3C=CC(O)=C(O)C=3)CNCC1=CC(OC)=C(OC)C=2
|
|
MCULE-4607202545 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)Br
|
|
MCULE-1986838099 |
0.62 |
COC1C=C2C(CN(CC2)CCNC(C)(C)C)=CC=1OC
|
|
MCULE-4417264224 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(OCC)=C1)OC
|
|
MCULE-3458399117 |
0.62 |
C12=C(CCNC1([H])CC(O)C1C=CC=CC=1)C=C(C(OC)=C2)OC
|
|
MCULE-1899094023 |
0.62 |
C1(C2=CC=CC(OC)=C2O)C2C=C(OC)C(=CC=2CCN1C(C)=O)OC
|
|
MCULE-4136143882 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC(Br)=CC=C1O)OC
|
|
MCULE-1667452497 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
MCULE-4851406858 |
0.62 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(CCCC3)C=1)=CC1=C(OCO1)C=2OC
|
|
MCULE-2514625020 |
0.62 |
C12=C(CCN(C)C1CC(CC1=CC=CC=C1OC)=NO)C=C1C(OCO1)=C2OC
|
|
MCULE-5336200750 |
0.62 |
C1(OC)C(OC)=CC(=CC=1OC)CNCCC1C=CC(=C(OC)C=1)OC
|
|
MCULE-5756940801 |
0.62 |
C1(OC)=CC(CCNCC2=CC=CC(=C2)OC2=CC=CC=C2)=CC=C1OC
|
|
MCULE-1499760143 |
0.62 |
C1(OC)=C(C=CC=C1CNCCC1C=CC(=C(OC)C=1)OC)OC
|
|
MCULE-7838891400 |
0.62 |
C12C=C(OC)C=CC=1CCNC2C
|
|
MCULE-2288958956 |
0.62 |
COC1C=CC=C(CNC(CC2C=CC(OC)=C(OC)C=2)C)C=1
|
|
MCULE-7247796464 |
0.62 |
C12C=C(OC)C(=CC=1CCN(CCC(O)=O)C2C)OC
|
|
MCULE-3021263653 |
0.62 |
COC1C=C2C(C(C3C=CC=CC=3)N(CC2)CCN)=CC=1OC
|
|
MCULE-4382789115 |
0.62 |
C12=CC(OC)=C(C=C1CCN(CCC(O)=O)[C@H]2C)OC
|
|
MCULE-6812287036 |
0.62 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC#N)=O
|
|
MCULE-6550420599 |
0.62 |
C1(OC)C(OC)=CC2CN(C(=O)C3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
|
|
MCULE-1372189946 |
0.62 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
MCULE-4592934708 |
0.62 |
C12C=C3OCCOC3=CC=1C1(CNC2C2=CC(OC)=C(C(OC)=C2)OC)CCCC1
|
|
MCULE-4514772256 |
0.62 |
COC1=CC2CCN(C(C)(C)C=2C(OC)=C1)C(C=C)=O
|
|
MCULE-9076009821 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
MCULE-1397624299 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2N(C)N=CC=2)=C1
|
|
MCULE-9949254825 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
MCULE-7012499883 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=C(C)C=CC=1O)C=C1C(OCO1)=C2OC
|
|
MCULE-7224014975 |
0.62 |
C12(CNCC3=CC=C(OC)C=C13)CC2
|
|
MCULE-6031006402 |
0.62 |
Cl.C12C(CCNC1C1=CC=C(C(OC)=C1)OC)=CC(=C(O)C=2)O
|
|
MCULE-4412830475 |
0.62 |
C12=C(CC[N+]([H])([H])C1C1=CC=CC(OC)=C1)C=C(C(OC)=C2)OC.[Cl-]
|
|
MCULE-8793913251 |
0.62 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OC
|
|
MCULE-6496006790 |
0.62 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1=CC=CC=C1)C=C(C(OC)=C2)OC
|
|
MCULE-3371372914 |
0.62 |
C1([C@@H]2CCCN2)=CC(OC)=C(C=C1O)OC
|
|
MCULE-8516767948 |
0.62 |
C1([C@H]2CCCN2)=CC(OC)=C(C=C1O)OC
|
|
MCULE-6354591562 |
0.62 |
[H]Cl.C1(=C(OC)C=C2C(CCNC2C2=CC=C(O)C(OC)=C2)=C1)OC
|
|
MCULE-4239998029 |
0.62 |
C1(OC)=C(OC)C=CC(CNCCC2C=CC=CC=2)=C1OC
|
|
MCULE-9001048734 |
0.62 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1C=CC(=CC=1)OC)C=C(C(OC)=C2)OC
|
|
MCULE-1024664609 |
0.62 |
C12=C(CCN(C)C1CC1=CC=CC=[N+]1C)C=C1C(OCO1)=C2OC
|
|
MCULE-8464777412 |
0.62 |
C1(O)C=C2CCNCC2=CC=1OC
|
|
MCULE-2311042291 |
0.62 |
C12=C(CCNC1C1=CC=CC(OC)=C1O)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
MCULE-2523279620 |
0.62 |
C1(O)C=C2CNCCC2=CC=1OC
|
|
MCULE-6748850855 |
0.62 |
N1(CCC#N)CCC2=C(C=C(C(=C2)OC)OC)C1.Cl
|
|
MCULE-9151786957 |
0.62 |
COC1C=CC2CC(C3C=CC=CC=3)N(CC=2C=1)CCN
|
|
MCULE-9096581229 |
0.62 |
C12CN(CCC3=CC=C(C=C3)N)CCC=1C=C(OC)C(OC)=C2
|
|
MCULE-6005726565 |
0.62 |
COC1C=CC(CNC(CC2C=CC(OC)=C(OC)C=2)C)=CC=1OC
|
|
MCULE-9147321527 |
0.62 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=NO)C=C1C(OCO1)=C2OC
|
|
MCULE-2925081156 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(Cl)C=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
MCULE-1159438170 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC(OC)=CC=C1O
|
|
MCULE-9697063518 |
0.62 |
C12CN(CCC=1C=C(OC)C(OC)=C2)CCC1CCCCN1
|
|
MCULE-2265833173 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CCCO)=C1
|
|
MCULE-3143486006 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1=C(C=CC=C1Cl)Cl
|
|
MCULE-2878469616 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC#N)=C1
|
|
MCULE-9282402126 |
0.62 |
C12C(C)NCC(O)C1=CC=C(OC)C=2O
|
|
MCULE-1901286192 |
0.62 |
C1(=CC(Br)=CC=C1O)CN1CCC2=C(C=C(C(OC)=C2)OC)C1.Cl
|
|
MCULE-2451352819 |
0.62 |
Cl.C12C(CCNC1C1=CC(=CC=C1OC)OC)=CC(O)=C(O)C=2
|
|
MCULE-4063929606 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC
|
|
MCULE-8207424392 |
0.62 |
C1C2=C(C(=C3OCOC3=C2)OC)C(N(C1)C)CC(=O)C1C(OC)=CC(OC)=CC=1
|
|
MCULE-6882336555 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
MCULE-7655435466 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
MCULE-5448382624 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
MCULE-3835067646 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC.[I-]
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MolPort-002-513-317 |
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MolPort-002-534-148 |
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MolPort-001-505-168 |
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MolPort-000-696-516 |
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MolPort-004-107-195 |
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MolPort-020-103-856 |
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MolPort-027-717-717 |
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MolPort-000-811-632 |
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MolPort-002-098-795 |
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MolPort-002-711-760 |
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MolPort-016-584-501 |
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MolPort-002-708-724 |
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MolPort-000-746-179 |
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MolPort-002-515-769 |
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MolPort-000-248-828 |
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MolPort-046-622-827 |
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MolPort-016-931-760 |
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MolPort-045-993-685 |
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MolPort-006-526-674 |
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MolPort-005-981-404 |
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MolPort-002-823-391 |
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MolPort-006-527-812 |
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MolPort-016-931-753 |
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MolPort-002-644-594 |
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MolPort-005-530-610 |
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MolPort-000-716-685 |
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MolPort-002-533-920 |
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MolPort-001-728-134 |
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MolPort-000-739-119 |
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MolPort-000-824-435 |
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MolPort-005-128-586 |
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MolPort-021-475-389 |
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MolPort-002-160-266 |
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MolPort-003-182-337 |
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MolPort-003-806-260 |
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MolPort-008-492-189 |
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MolPort-002-160-239 |
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MolPort-001-896-568 |
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MolPort-016-586-267 |
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MolPort-002-640-817 |
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MolPort-010-259-654 |
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MolPort-002-112-674 |
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MolPort-020-181-118 |
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MolPort-044-181-432 |
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MolPort-007-740-139 |
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MolPort-046-158-499 |
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MolPort-046-594-424 |
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MolPort-002-513-312 |
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MolPort-020-005-766 |
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MolPort-002-516-314 |
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MolPort-002-513-306 |
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MolPort-001-742-071 |
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MolPort-001-956-180 |
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MolPort-008-492-188 |
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MolPort-044-856-285 |
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MolPort-002-160-259 |
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MolPort-002-138-802 |
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MolPort-002-160-252 |
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MolPort-002-138-804 |
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MolPort-002-140-722 |
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MolPort-000-702-900 |
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MolPort-001-905-793 |
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MolPort-009-766-656 |
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MolPort-044-721-769 |
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MolPort-002-531-416 |
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MolPort-004-321-615 |
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MolPort-002-112-438 |
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MolPort-016-931-749 |
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MolPort-002-133-698 |
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MolPort-009-758-102 |
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MolPort-000-704-354 |
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MolPort-002-515-895 |
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MolPort-002-513-112 |
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MolPort-000-697-389 |
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MolPort-000-711-733 |
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MolPort-002-513-147 |
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MolPort-028-263-116 |
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MolPort-006-527-142 |
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MolPort-016-584-921 |
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MolPort-002-717-568 |
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MolPort-009-758-168 |
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MolPort-000-876-412 |
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MolPort-046-121-487 |
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MolPort-002-520-998 |
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MolPort-009-503-249 |
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MolPort-006-526-677 |
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MolPort-001-905-805 |
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MolPort-001-943-348 |
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MolPort-006-527-835 |
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MolPort-006-527-830 |
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MolPort-006-527-155 |
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MolPort-006-527-153 |
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MolPort-006-527-152 |
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MolPort-006-527-151 |
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MolPort-000-816-292 |
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MolPort-000-806-708 |
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MolPort-000-795-769 |
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MolPort-016-584-275 |
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MolPort-002-711-773 |
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CCOC1=CC=C(C=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
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MolPort-002-711-715 |
0.60 |
CCOC1=C(OCC)C=C(C=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
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MolPort-002-711-670 |
0.60 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=C(O)C=C1
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MolPort-002-529-605 |
0.60 |
COC1=CC(=CC(OC)=C1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1
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MCULE-8367381488 |
0.60 |
C12CNCCC1=C1OCOC1=C(OC)C=2
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MCULE-4113214425 |
0.60 |
C12CN(CCC=1C=C(OCC)C(OCC)=C2)CCC1CCCCN1
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MCULE-6908839351 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(=O)C1=CC(OC)=C(C(OC)=C1)OC
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MCULE-1026354045 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=CC(=C(OC)C=1)OC)C(=O)C(C)(C)C
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MCULE-6835740022 |
0.60 |
C1(=S)NC(C)(C)CC2C=C(OC)C(OC)=CC1=2
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MCULE-4038038700 |
0.60 |
N1(C(=O)C(C)(C)C)CCC2=C(C1C1C=CC=CC=1)C=C(OC)C(OC)=C2
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MCULE-3036028108 |
0.60 |
C1(OC)C=C2CCN(C(C(C)C)=O)C(C3C=CC(OC)=CC=3)C2=CC=1OC
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MCULE-1123416459 |
0.60 |
C12=C(CCNC1C1=CC=CC(OC)=C1)C=C(C(OCC)=C2)OCC.[H]Cl
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MCULE-2872319087 |
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C12C(CCNC1C1C=CC(=CC=1)Br)=CC(=C(OC)C=2)OC
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MCULE-9792486342 |
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C12=C(CCN(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
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MCULE-1541475154 |
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C12=C(CCNC1C1=CC=CC(O)=C1)C=C(C(OCC)=C2)OCC.[H]Cl
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MCULE-9215268019 |
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C12=C(CCN(C)C1CC(C)(NC=O)C(=O)CC1CCCC1)C=C1C(OCO1)=C2OC
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MCULE-3631353182 |
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COC1=C(OC)C=C2C(CCN(C2)CC2=C(F)C=CC(F)=C2)=C1
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MCULE-5221048285 |
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C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
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MCULE-5274835684 |
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[H]Cl.C12=C(CCNC1C1=CC=CC=C1)C=C(C(OCC)=C2)OCC
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MCULE-7332159014 |
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[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
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MCULE-4567571601 |
0.60 |
C12=C(CCNC1C1=CC=C(C(OC)=C1)OC)C=C(C(OCC)=C2)OCC.[H]Cl
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MCULE-4497568477 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
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MCULE-3329902954 |
0.60 |
[H]Cl.C12C(CCNC1C1=CC=C(C(O)=C1)OC)=CC(=C(OCC)C=2)OCC
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MCULE-6025936245 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C(C)=CC3=C(C(C)(C)CC(C)C3(C)C)C=1)C=C1C(OCO1)=C2OC
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MCULE-9289686860 |
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C12=C(CCNC1C1=CC=C(C3C=CC=CC1=3)OC)C=C(C(OCC)=C2)OCC
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MCULE-6067588070 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
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MCULE-3530856335 |
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[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CCC(O)=O
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MCULE-9641355433 |
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C12=C(CCNC1C1=CC=C(C(OCC)=C1)O)C=C(C(OC)=C2)OC
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MCULE-8806301368 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=C(C(OC)=C1)OCC)C=C(C(OCC)=C2)OCC
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MCULE-4672639338 |
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C12=C(O)C(OC)=CC=C1CCN(C(C)=O)C2
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MCULE-3813646250 |
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[H]Cl.C12=C(CCNC1C1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OCC
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MCULE-8116785821 |
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C12=C(CCNC1C1C=CC(=C(OC)C=1)OCC)C=C(C(OC)=C2)OC
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MCULE-2502262627 |
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[H]Cl.C12=C(CCNC1C1C=CC(=C(OCC)C=1)OCC)C=C(C(OC)=C2)OC
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MCULE-5561395813 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C(C)C)=O)C2)=C1
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MCULE-4635551531 |
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C12=C(CCNC1C1=CC=C3C(C=CC=C3)=C1)C=C(C(OCC)=C2)OCC
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MCULE-4521632107 |
0.60 |
CCOC1C=C2C(CN(CC2)CC(N)(C)C)=CC=1OCC
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MCULE-6761995380 |
0.60 |
C12=C(CCNC1C1=CC=C(C=C1)OC(C)C)C=C(C(OCC)=C2)OCC.[H]Cl
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MCULE-9646372346 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C(C)(C)C
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MCULE-3420012600 |
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C12=C(CCN(C)C1CC(=NO)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC
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MCULE-8828952955 |
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C1(CNC(C)C(O)C2C=CC=CC=2)=CC(OC)=C(C=C1OC)OC.Cl
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MCULE-9402154202 |
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C1C(OC)=C(OC)C=C(CNCCC2=CC=C(C=C2)Cl)C=1OC
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MCULE-3934204291 |
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C(O)(=O)C(O)=O.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(C)=C1)OC
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MCULE-8629661535 |
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C12C=CC=CC=1CCC(C2)NCC1C=C(OC)C=C(OC)C=1
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MCULE-3547320981 |
0.60 |
Cl.C12CNCCC1=C(OC)C1OCOC=1C=2
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MCULE-6566549433 |
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N1(CCC2C=CC=CC=2C1)CC1C=CC=C(OC)C=1OC.C(O)(=O)C(O)=O
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MCULE-9434387558 |
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C12C=C(OC)C(=CC=1CCN(C)C2C1C=CC=C(F)C=1)OC
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MCULE-2668000253 |
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C=C
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MCULE-9412010803 |
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N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C1=CC=C(C=C1)OC1=CC=CC=C1
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MCULE-7521176347 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC(C2=CC=CC=C2)O)=C1
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MCULE-4314346290 |
0.60 |
COC1C=CC(C(NC(CCCN)=O)CC2C=CC=CC=2C)=CC=1OC
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MCULE-2512323393 |
0.60 |
N12CCC(=O)CC1CC1=CC(O)=C(OC)C=C1C2
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MCULE-6974254958 |
0.60 |
[H]Cl.C12=C(CCNC1C1C=CC=CC=1OC(F)F)C=C(C(OCC)=C2)OCC
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MCULE-9688998015 |
0.60 |
C1(C(CC)=CC(=C(OC)C=1)OC)C(CC1C=CC=CC=1)NC(=O)C1=CC=C(C=C1)Br
|
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MCULE-1746486587 |
0.60 |
N12CCC(=O)CC1CC1=CC(OC)=C(O)C=C1C2
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MCULE-1433743784 |
0.60 |
COC1C2=C(OCO2)C=C2C=1CN(C(C)C)CC2O
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MCULE-5865729061 |
0.60 |
C12=CC(OC)=C(C=C1CCN(CC)C2C(C(C)C)NC(C1C=CC=CC=1)=O)OC
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MCULE-3230121031 |
0.60 |
C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
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MCULE-7283815365 |
0.60 |
COC1C=C2C(C(N(CC2)CC2CCC2)CC(=O)O)=CC=1OC
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MCULE-5131661097 |
0.60 |
C12CN(C(C)(C)C)CC(O)C1=CC1OCOC=1C=2OC
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MCULE-2262531675 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC(NCC2CC2)=O)=C1
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MCULE-3724291783 |
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C(C(=O)NC(C1N(CC2C=CC=C(F)C=2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
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MCULE-7721570200 |
0.60 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)C)CCC2C1=CC(OC)=C(OC)C=2)CC)(C)C
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MCULE-5635659244 |
0.60 |
CCN1CC(O)C2=CC3=C(C(OC)=C2C1)OCO3
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MCULE-7821758878 |
0.60 |
C(C(=O)NC(C1N(CC2=C(F)C=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)C)C
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MCULE-2005427147 |
0.60 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=C(Br)C=1
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MCULE-4256618469 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(F)C=C1)C=C1C(OCO1)=C2OC
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MCULE-7677232966 |
0.60 |
Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
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MCULE-1141280103 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)I)=CC1=C(OCO1)C=2OC
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MCULE-5433028519 |
0.60 |
COC1C=CC(CNC2CC3C=CC=CC=3C2)=C(OC)C=1
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MCULE-7350211560 |
0.60 |
COC1C(OC)=CC(OC)=C(CNCCC2C=CC=C(C)C=2)C=1
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MCULE-3541700834 |
0.60 |
N1(C)CCC2C(=CC3=C(OCO3)C=2)C1
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MCULE-4957415832 |
0.60 |
C1(OC)C(OC)=CC=C(CN(C)CC2CCN(CC2)CCC2=CC=C(C=C2)OC)C=1OC
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MCULE-6143838453 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)[C@@H]1C)CC(O)=O
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MCULE-9987838511 |
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COC1=C(C(N2CCC3C=C(OC)C(OC)=CC=3CC2)=O)C(O)=CC=C1
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MCULE-8442210659 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2)CC(C(O)C)O)=C1
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MCULE-7388322025 |
0.60 |
C12C(CCNC1C1C=CC(=CC=1)C(F)(F)F)=CC(=C(OC)C=2)OC
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MCULE-1167385848 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=C(Cl)C=1)Cl
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MCULE-4697846334 |
0.60 |
N1(C2CNCC2)CCC2=C(C=C(C(OC)=C2)OC)C1
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MCULE-2642047697 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)CC(O)=O
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MCULE-3577770822 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(O)=C1)OC
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MCULE-6216636059 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C(CC)C1C=CC=CC=1
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|
MCULE-1204433722 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(O)=C1
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MCULE-6262872584 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1)O
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MCULE-3785529494 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC=C1C
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MCULE-9094304676 |
0.60 |
N1(C)CC2=C(C1CC1C=CC(OCC3C=CC=CC=3)=CC=1)C=C(OCC1C=CC=CC=1)C(OC)=C2.Cl
|
|
MCULE-2954496650 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(Cl)=C1
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MCULE-9684113781 |
0.60 |
C12C(CCNC1CC(NN)=O)=CC(=C(OC)C=2)OC
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|
MCULE-9733700184 |
0.60 |
C12=CC(OCC)=C(OCC)C=C1C(CC(=O)O)NCC2
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MCULE-4474557052 |
0.60 |
CCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O
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MCULE-7946818376 |
0.60 |
COC1C=C2C(C(N(C(C(C)C)=O)CC2)CC(=O)O)=CC=1OC
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|
MCULE-4887186987 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCCC#N
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MCULE-3290305628 |
0.60 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
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|
MCULE-2264058895 |
0.60 |
COC1C=C2C(C(N(C(=O)C)CC2)CC(=O)O)=CC=1OC
|
|
MCULE-4289242615 |
0.60 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
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|
MCULE-2217428265 |
0.60 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
MCULE-7728607823 |
0.60 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
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|
MCULE-9646553011 |
0.60 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
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MCULE-9582795993 |
0.60 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
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MCULE-7440917733 |
0.60 |
C12=C(CCN(C)C1CC(=NO)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
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|
MCULE-3257801266 |
0.60 |
C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
MCULE-8204517595 |
0.60 |
Cl.COC1=CC2=C(C(NCC2)C)C=C1
|
|
MCULE-2172494542 |
0.60 |
COC1C=CC(OC)=C(C(NC2CC3C=CC=CC=3C2)C)C=1
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|
MCULE-4148647396 |
0.60 |
COC1=CC2=C(CNC3(C2)CC3)C=C1
|
|
MCULE-6803226824 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)C1C=CC=CC=1
|
|
MCULE-8555442596 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC2=C(OCO2)C=1
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|
MCULE-1287240308 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(C)=O
|
|
MCULE-1451784118 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1F.Cl
|
|
MCULE-7169337193 |
0.60 |
COC1C=C2C(CN(CC2)CC2C=CC=C(N)C=2)=CC=1OC
|
|
MCULE-3680491471 |
0.60 |
Cl.C12CN(CCC)CCC1=CC1OCOC=1C=2
|
|
MCULE-8945666541 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(N)C=CC=C2)=C1
|
|
MCULE-1045795378 |
0.60 |
C1C(OC)=C(OC)C=C(CNCCC2=CC=C3C(OCO3)=C2)C=1OC
|
|
MCULE-7754493519 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(Br)=C1
|
|
MCULE-5058875411 |
0.60 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=C2C(OCO2)=C1)OC
|
|
MCULE-6953984031 |
0.60 |
C12=C(CCNC1C1=CC=CC=C1C(F)(F)F)C=C(C(OC)=C2)OC
|
|
MCULE-6602375721 |
0.60 |
C12=C(CCNC1C1=CC(Br)=CC=C1O)C=C(C(OC)=C2)OC
|
|
MCULE-4858398920 |
0.60 |
Cl.N1(CC2C=CC=CC=2)CC2C=C(OC)C(=CC=2C(=O)C1(C)C)OC
|
|
MCULE-2962674479 |
0.60 |
C12C=C(OC)C(=CC=1CCN(C1CCC(CC1)C)C2C1=CC=CC(Cl)=C1)OC
|
|
MCULE-4114861719 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1CCCCC1
|
|
MCULE-4691675731 |
0.60 |
Cl.N1(CCC(C2C=CC=CC=2)C2=CC=CC=C2)CC2C=C(OC)C(=CC=2C(O)C1(C)C)OC
|
|
MCULE-2505785229 |
0.60 |
C1(C(=O)NC(C2N(CC)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=C(Cl)C=1
|
|
MCULE-3800946338 |
0.60 |
CCCCN1CC(O)C2=CC3=C(C(OC)=C2C1)OCO3
|
|
MCULE-3598814286 |
0.60 |
[Cl-].C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
MCULE-1335806679 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=C(Cl)C=CC=1Cl)=CC1=C(OCO1)C=2OC
|
|
MCULE-4950746798 |
0.60 |
C12C(CC[N+](C)(C)C1CC(=O)C1C=C(Cl)C=CC=1Cl)=CC1=C(OCO1)C=2OC
|
|
MCULE-6725886454 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
MCULE-1426657592 |
0.60 |
C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
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MCULE-1592007325 |
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C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC.[I-]
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MCULE-8710991327 |
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MCULE-7025771109 |
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MCULE-7180862423 |
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MCULE-2862951358 |
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MCULE-3433736096 |
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MCULE-5764963401 |
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MCULE-1742113202 |
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MCULE-9165281016 |
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MCULE-8382322694 |
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MCULE-1154213143 |
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MCULE-9033959851 |
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MCULE-4904266572 |
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MCULE-8653495958 |
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MCULE-5731088201 |
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MCULE-5059137518 |
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MCULE-5079665213 |
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MCULE-4434421561 |
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MCULE-5807905723 |
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MCULE-6776352884 |
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MCULE-3431736027 |
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MCULE-7742038125 |
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MCULE-6933064643 |
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MCULE-9398370750 |
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MCULE-4365162804 |
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MCULE-2236298466 |
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MCULE-2889009693 |
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MCULE-5273854848 |
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MCULE-6753974586 |
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MCULE-2209647458 |
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MCULE-6449677632 |
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MCULE-5326949284 |
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C(NC(=O)NC(C1N(CC2=CC=CC(OC)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
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MCULE-7309174338 |
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MCULE-3700587735 |
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MCULE-3914080347 |
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MCULE-8411584121 |
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MCULE-5787533740 |
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MCULE-2903974695 |
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MCULE-8438127340 |
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MCULE-2782423083 |
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C(NC(=O)NC(C1N(CC2=CC=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
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MCULE-5073900275 |
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C(NC(=O)NC(C1N(CC2=CC=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)(C)C
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MCULE-4615655680 |
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MCULE-3859306238 |
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MCULE-7355939835 |
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MCULE-3770420601 |
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MCULE-3662198345 |
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C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)C=CC1C=CC=CC=1)=CC1=C(OCO1)C=2OC
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MCULE-6083739492 |
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MCULE-6921723427 |
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CN1C2CC3C(C4=C2C(=CC(OC)=C4OC)CC1)=CC=CC=3
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MCULE-7691384328 |
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MCULE-6364046225 |
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MCULE-1177731086 |
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MCULE-1617147191 |
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MCULE-2230326172 |
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MCULE-1332002863 |
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CN1C(CO)CC2C(=CC=C3C=2OCO3)C1
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=CC=C(Cl)C=1)C1CCC(C)C1
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C=CC(=C2C=CC=CC=12)OC
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C(=O)(N1CCC2C(=CC(=C(OC)C=2)OC)C1)C1C=CC=C(OC)C=1OC
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C=C1Cl)Cl
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[Cl-].[NH+]1(CCC2C(=CC(=C(OC)C=2)OC)[C@@H]1C)CC(O)=O
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MCULE-3054913622 |
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C12C(CCNC1C(C)CCCCCCCCC)=CC(O)=C(O)C=2
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Cl.N1(C)CCC2C(=CC3=C(OCO3)C=2)C1
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MCULE-3396902820 |
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C12C(CCCCCCCCCC)NCCC1=CC(O)=C(O)C=2
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C12C(CCCCCCC)NCCC1=CC(O)=C(O)C=2
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N1(C(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
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N1(C(C)(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
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MCULE-7082684567 |
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MCULE-8163713790 |
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COC1C=CC(CNC(CC2C=CC=CC=2C)C)=CC=1O
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C1C=CC(CC(NC)C2C=C(OC)C(OC)=CC=2)=CC=1
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CC(C1C2=C(C=C(C=C2)O)CCN1)C
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C12CNCCC1=CC=CC=2OC
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[I-].C12C(CC[N+](C)(C)C1CC(=O)C1C=C(Cl)C=CC=1Cl)=CC1=C(OCO1)C=2OC
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MCULE-3284522315 |
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C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=CC=C1Cl
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MCULE-8875835352 |
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C1(C(=O)NC(C2N(CC3=CC=CC(OC)=C3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=CC=C1Cl
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MCULE-3363541969 |
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C1(OC)C=C2CCN(C)[C@@]3([H])CC4C=CC=CC=4C(=C23)C=1O
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MCULE-5233707238 |
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C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=CC=C1Cl
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MCULE-3049983389 |
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C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=C(Cl)C=1
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MCULE-8914416147 |
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C12CN(CCC1=C(CN)C1=C(OCO1)C=2OC)C.C(O)(=O)C(O)=O
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MCULE-2099131954 |
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C1(=CC=C(C(OC)=C1OC)OC)C1NCCC2(CCCCC12)O
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N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(C)=C1)OC
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MCULE-9571548747 |
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OC1=CC2=C(CCCC2NCCC2=CC3=C(OCCO3)C=C2)C=C1
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MCULE-5677534594 |
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MCULE-7824317536 |
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MCULE-3548872868 |
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OC1C=CC(C2C=CC(CN3CCC4C=C(C(=CC=4C3)OC)OC)=CC=2)=CC=1
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C(F)(F)(F)C1C=CC=C(C=1)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
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MCULE-1435481703 |
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MCULE-1809307187 |
0.60 |
CCOCCN1CC2=C(C=C(C(=C2)OC)OC)CC1
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MCULE-9888028399 |
0.60 |
CCOC1C=C2C(CN(CC2)CCN)=CC=1OCC
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MCULE-1075428325 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(=C1)C#N
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|
MCULE-3924707275 |
0.60 |
C1(OC)C(OC)=CC=C(CNCCC2C=CC(=CC=2)OC)C=1OC.C(C(=O)O)(=O)O
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MCULE-6199321515 |
0.60 |
COC1C=CC(CNC(CCC2C=CC(O)=CC=2)C)=C(OC)C=1OC
|
|
MCULE-6284377064 |
0.60 |
C(F)(F)(F)C1=CC=CC=C1CNC(C)CC1=CC=C(C(OC)=C1)OC
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|
MCULE-4477409295 |
0.60 |
C1(OC)=CC(OC)=CC=C1CNCCC1=CC=C(C(OC)=C1)OC.C(C(=O)O)(=O)O
|
|
MCULE-2653980479 |
0.60 |
Cl.COC1=CC2=C(CNC3(C2)CC3)C=C1
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|
MCULE-4919750624 |
0.60 |
COC1C=CC(CC(NCC2C=CC=CC=2OC(F)F)C)=CC=1OC
|
|
MCULE-7446719351 |
0.60 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC(OC)=CC(OC)=C1
|
|
MCULE-3433204949 |
0.60 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC=C(C(OC)=C1)O
|
|
MCULE-1288376009 |
0.60 |
COC1=CC(CNC(CC2=C(C)C=CC=C2)C)=C(O)C=C1
|
|
MCULE-3908328123 |
0.60 |
C1(C(=O)NC(C2N(CC3=CC=C(C=C3)F)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
|
|
MCULE-6804288950 |
0.60 |
Cl.C12CN(C)CC(O)C1=CC(OC)=C1OCOC1=2
|
|
MCULE-8067132742 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C(CC)NC(=O)C1=CC=CC=C1C)CC1=CC=C(OC)C=C1
|
|
MCULE-1211508613 |
0.60 |
C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)CC)=CC=C(C=C1)OC
|
|
MCULE-6346986706 |
0.60 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)F)CCC2C1=CC(OC)=C(OC)C=2)C)C1C=CC=CC=1
|
|
MCULE-1871867423 |
0.60 |
C(C(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C)OC
|
|
MCULE-8304769553 |
0.60 |
N1(C(C)=O)CC2=CC(OC)=C(C=C2C2(CCCC2)C1)OC
|
|
MCULE-2378738981 |
0.60 |
C1(OC)C=C2CCN(C(C(C)C)=O)C(C3C=CC=CC=3)C2=CC=1OC
|
|
MCULE-4971415086 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C1=CC=CC(F)=C1)CC1C=CC=C(OC)C=1
|
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