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0.89 |
CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-000-710-663 |
0.89 |
[I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-009-758-349 |
0.89 |
[I-].CC(=O)O[C@H]1C[C@H]2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1OC(C)=O
|
|
| MCULE-9694482286 |
0.83 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-3609746722 |
0.83 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MolPort-044-179-667 |
0.83 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MolPort-002-526-469 |
0.83 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
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0.83 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
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|
| MolPort-046-594-236 |
0.83 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
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|
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0.72 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@H](CC3=CC4=C(OCO4)C=C3[C@@H]12)OC(C)=O
|
|
| MolPort-046-594-373 |
0.72 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
|
|
| MCULE-1060140243 |
0.72 |
CC(=O)O[C@@H]1[C@@]2(C)[C@@](N(CC3C4OCOC=4C=CC=32)C)([H])C2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-6524054120 |
0.72 |
CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
|
|
| MCULE-8245880204 |
0.72 |
C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
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0.70 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)O[C@H]6[C@]45OC3=O)CCC2=C1
|
|
| MCULE-4557116195 |
0.70 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
|
|
| MCULE-3290305628 |
0.70 |
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-5788232203 |
0.70 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
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| MolPort-044-181-432 |
0.70 |
Cl.O[C@H]1CC[C@@H]2CN3CCC4=CC5=C(OCO5)C=C4[C@@H]3C[C@@H]2C1
|
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| MolPort-046-594-424 |
0.68 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
|
|
| MolPort-046-158-499 |
0.68 |
CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
|
|
| MolPort-020-005-766 |
0.68 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
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|
| MolPort-001-742-071 |
0.68 |
CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MCULE-7728607823 |
0.68 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-9582795993 |
0.68 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-2217428265 |
0.68 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-4289242615 |
0.68 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9646553011 |
0.68 |
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-4667092841 |
0.68 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
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|
| MolPort-046-793-208 |
0.68 |
Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
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| MolPort-002-513-630 |
0.67 |
COC1=C(OC)C=C2CN(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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| MolPort-002-515-696 |
0.67 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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|
| MolPort-000-725-791 |
0.67 |
[OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
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|
| MolPort-000-719-147 |
0.67 |
[Cl-].COC1=C(OC)C=C2C[NH+](CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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| MolPort-009-757-920 |
0.67 |
Cl.COC1=C(OC)C=C2CN(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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| MolPort-046-762-432 |
0.67 |
O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@@H]1O
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|
| MolPort-002-520-180 |
0.67 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-044-723-889 |
0.66 |
COC1=CC2=C(C=C1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2
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|
| MolPort-006-393-731 |
0.66 |
COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
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|
| MolPort-000-698-521 |
0.66 |
[I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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|
| MolPort-016-614-887 |
0.66 |
CN1C[C@@H]2[C@H](C1)[C@](CO)(N[C@@H]2C1=CC2=C(OCO2)C=C1C)C1=CC=CC=C1
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|
| MolPort-006-393-733 |
0.66 |
COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
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|
| MolPort-028-744-724 |
0.66 |
COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
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|
| MolPort-002-515-243 |
0.66 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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|
| MolPort-046-418-253 |
0.66 |
COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-046-426-964 |
0.66 |
COC1=C(OC)C=C2C3CC(OC(=O)C(N)C(C)C)C(CC(C)C)CN3CCC2=C1
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|
| MolPort-046-690-333 |
0.66 |
COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
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|
| MolPort-039-339-049 |
0.66 |
COC1=C2O[C@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
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|
| MolPort-001-924-855 |
0.66 |
COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
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|
| MolPort-002-531-374 |
0.66 |
COC1=C(OC)C=C2C(CCO)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MCULE-8849001595 |
0.66 |
N[C@H](C(=O)O[C@@H]1C[C@@]2([H])N(CCC3C2=CC(OC)=C(OC)C=3)C[C@H]1CC(C)C)C(C)C
|
|
| MCULE-2364583043 |
0.66 |
N[C@H](C(=O)O[C@@H]1C[C@@]2([H])N(CCC3C2=CC(OC)=C(OC)C=3)C[C@H]1CC(C)C)C(C)C
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|
| MCULE-4118612757 |
0.66 |
[C@H]12CN(C[C@H]1[C@H](N[C@]2(CO)C1C=CC=CC=1)C1=C(C)C=C2C(OCO2)=C1)C
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|
| MCULE-9667743097 |
0.66 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
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|
| MCULE-6498289847 |
0.66 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
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|
| MCULE-7105415085 |
0.66 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
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|
| MCULE-7105035945 |
0.66 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
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|
| MCULE-1446120151 |
0.66 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
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|
| MCULE-2357916440 |
0.66 |
O[C@@H]1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)CC1
|
|
| MCULE-8948203265 |
0.66 |
C12(CCN(CC1)C(=O)CC1C=CC3=C(OCO3)C=1)[C@@H](OCCOC)[C@@H](C1=CC=CC=C21)NC(CC)=O
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|
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0.66 |
Br.COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
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|
| MolPort-002-532-258 |
0.66 |
COC1=C(OC)C=C2CN(CC3[C@H]4CC5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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|
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0.66 |
COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
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0.66 |
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CCC(=O)N[C@H]1[C@H](OCCOC)C2(CCN(CC2)C(=O)CC2=CC=C3OCOC3=C2)C2=C1C=CC=C2
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0.66 |
COC1=CC2=C(CN(CCC3COCCO3)CC2)C=C1OC
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| MolPort-046-766-053 |
0.66 |
COC1=CC=C2C(CN(C)CC2=C1)C1(O)CCCCC1
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OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
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| MolPort-000-882-129 |
0.65 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
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0.65 |
Cl.COC1=C(OC)C=C2CN(CC(O)COCC34CC5CC(CC(C5)C3)C4)CCC2=C1
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0.65 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4C[C@H]5[C@@]6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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0.65 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5[C@@]6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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0.65 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
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|
| MCULE-2394429997 |
0.65 |
N1(CC2C=CC=CC=2)C2CCC(CC2C2=CC3OCOC=3C=C2C1=O)OCC1C=CC=CC=1
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|
| MCULE-8029878723 |
0.65 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
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|
| MCULE-9316066032 |
0.65 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
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|
| MCULE-4471227410 |
0.65 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
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| MCULE-7175585320 |
0.65 |
C12(C)CCC(CC1OCC(O)CN1CCC3=C(C=C(C(OC)=C3)OC)C1)C2(C)C
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|
| MCULE-7192651058 |
0.65 |
N1(CCC2=C(C1)C=C(C(OC)=C2)OC)CC(COCC1CC2CC1CC2)O
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|
| MCULE-4900852218 |
0.65 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
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|
| MCULE-5300920464 |
0.65 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
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|
| MCULE-4040643278 |
0.65 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
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|
| MCULE-7011532507 |
0.65 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
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|
| MCULE-6514716530 |
0.65 |
Cl.N1(CCC2=C(C1)C=C(C(OC)=C2)OC)CC(COCC1CC2CC1CC2)O
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|
| MCULE-9851848354 |
0.65 |
COC1=C(OC)C=C2C(CCN(C2)CC(COCC2OCCC2)O)=C1
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|
| MolPort-009-653-412 |
0.65 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
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0.65 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
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0.65 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
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0.65 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
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Cl.COC1=C(OC)C=C2CN(CC(O)COCC3CC4CCC3C4)CCC2=C1
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|
| MolPort-002-520-105 |
0.65 |
COC1=C(OC)C=C2CN(CC3[C@@H]4[C@@H](CC5=CCCC(C)[C@@]5(C)C4O)OC3=O)C(C)CC2=C1
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|
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0.65 |
COC1=CC2=C(CN(CC(O)COCC3CCCO3)CC2)C=C1OC
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0.64 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
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0.64 |
Cl.COC1=CC=C(CCCN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
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0.64 |
COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C)C2
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0.64 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(CCCC1=CC=CC=C1)C2
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COC1=C(O)C=C2CCN(CC3[C@H]4C[C@H]5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
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COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
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COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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[OH-].COC1=CC2=C3[C@H](CCC45CC[C@H](O)[C@](C4)(OC)OC1=C35)[N+](C)(C)CC2
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0.64 |
[OH-].COC1=CC2=C3[C@H](CC[C@]45CC[C@@H](O)[C@](C4)(OC)OC1=C35)[N+](C)(C)CC2
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0.64 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C)C2
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| MCULE-7401691939 |
0.64 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
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|
| MCULE-9954073702 |
0.64 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
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|
| MCULE-4484324991 |
0.64 |
C12C=C(OC)C(=CC=1CN(C)CC12CCOCC1)OC
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|
| MCULE-5907992453 |
0.64 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
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|
| MCULE-9819277983 |
0.64 |
C12C=C(OC)C(=CC=1CN(C)CC12CCOCC1)OC.Cl
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|
| MCULE-3168618945 |
0.64 |
C12(CCNCC1)[C@@H](O)[C@@H](C1=CC=CC=C21)NCC1C=CC2=C(OCO2)C=1
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|
| MCULE-4573182060 |
0.64 |
N12CCC(=O)CC1CC1=CC3OCOC=3C=C1C2
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|
| MCULE-7844067059 |
0.64 |
C1CC2C(CCC[N+]2(CC1)C)COC(C)C[N+]1(C)CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-2028522222 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3411300988 |
0.64 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5604342814 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC1CCCC1C
|
|
| MCULE-9750966349 |
0.64 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C(C)C)C1)C1=CC=CC=C1
|
|
| MCULE-3528726804 |
0.64 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-3230121031 |
0.64 |
C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-8621074035 |
0.64 |
COC1=C(OC)C=C2C(CCN(C(CCC3OC(C4OCCO4)CC3)=O)C2)=C1
|
|
| MCULE-5660778036 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-3038266678 |
0.64 |
[I-].[I-].C1CC2C(CCC[N+]2(CC1)C)COC(C)C[N+]1(C)CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MolPort-002-522-202 |
0.64 |
COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-020-227-004 |
0.64 |
O[C@H]1[C@H](NCC2=CC=C3OCOC3=C2)C2=C(C=CC=C2)C11CCNCC1
|
|
| MolPort-002-515-612 |
0.64 |
COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-002-516-603 |
0.64 |
COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-701-443 |
0.64 |
CC(C)C1CC(CCNCC2=CC=C3OCOC3=C2)(CCO1)C1=CC=CC=C1
|
|
| MolPort-009-757-991 |
0.64 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-745-031 |
0.64 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-717-312 |
0.64 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-831-098 |
0.64 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-005-284-042 |
0.63 |
Cl.COC1=C(OC)C=C2CN(CC(O)COC3CCCC3C)CCC2=C1
|
|
| MolPort-002-518-995 |
0.63 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-002-260-255 |
0.63 |
Cl.CC(C)C1CC(CCNCC2=CC=C3OCOC3=C2)(CCO1)C1=CC=CC=C1
|
|
| MolPort-016-584-275 |
0.63 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CNC2CC(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-046-763-909 |
0.63 |
COC1=CC2=C(C[C@H]3NCC[C@@]22CC4(CC[C@@]32O)OCCO4)C=C1
|
|
| MolPort-002-532-692 |
0.63 |
COC1=C(OC)C=C2CN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-000-752-271 |
0.63 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MCULE-1337159748 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC1CCCC1C.Cl
|
|
| MCULE-6284047843 |
0.63 |
Cl.C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C(C)C)C1)C1C=CC=CC=1
|
|
| MCULE-9099290556 |
0.63 |
C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-9033959851 |
0.63 |
Cl.C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-3357876288 |
0.63 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-9560731663 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C1(CCCOC1)C1=CC=C(C(OC)=C1)OC
|
|
| MCULE-5218297674 |
0.63 |
COC1C=CC2C(NCC3(COCC3)O)CCCC=2C=1
|
|
| MCULE-9318246296 |
0.63 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-8351086732 |
0.63 |
[C@]12([H])[C@H](O)[C@@H](OC)C=C3CCN(CC4=CC(OC)=C(OC)C=C14)[C@@]23[H]
|
|
| MCULE-8008770566 |
0.63 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-2087502083 |
0.63 |
C12OCOC=1C=C1[C@]3([H])[C@H](O)[C@H](O)[C@]4([H])[C@@](O)(CN5CCC[C@]354)C1=C2
|
|
| MCULE-4281838568 |
0.63 |
C12(CCN(CC1)C(=O)C1C=CC3=C(OCO3)C=1)[C@@H](OCCOC)[C@@H](C1=CC=CC=C21)NC(C(C)C)=O
|
|
| MolPort-020-180-691 |
0.63 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(CCC(C1=CC=CC=C1)C1=C(O)C=CC=C1)C2
|
|
| MolPort-016-584-690 |
0.63 |
COC1=C(OC)C=C(C=C1)C1(CCCOC1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C
|
|
| MolPort-038-707-712 |
0.63 |
COC1=CC=C2C(CCCC2=C1)NCC1(O)CCOC1
|
|
| MolPort-046-596-509 |
0.63 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-526-039 |
0.63 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-137 |
0.63 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-023-274-267 |
0.63 |
CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-042-578-585 |
0.63 |
CO[C@]12CCN(CC3=CC4=C(OCO4)C=C3C)[C@H]1C[C@H](CC2)OCCO
|
|
| MolPort-035-705-699 |
0.63 |
O[C@@H]1[C@H](O)[C@@H]2[C@@]3(O)CN4CCC[C@@]24[C@@H]1C1=C3C=C2OCOC2=C1
|
|
| MolPort-004-996-868 |
0.63 |
COCCO[C@H]1[C@H](NC(=O)C(C)C)C2=C(C=CC=C2)C11CCN(CC1)C(=O)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-046-600-616 |
0.63 |
COC1=CC=C(CN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
|
|
| MolPort-006-821-614 |
0.63 |
COC1=CC=C(C=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
|
|
| MolPort-039-336-424 |
0.63 |
O=C1C[C@H]2CCC[C@@H]3[C@H]2N1CC1=C3C=C2OCOC2=C1
|
|
| MolPort-002-514-912 |
0.63 |
O[C@]12CCCC[C@H]1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-009-753-175 |
0.63 |
OC12CCCCC1C(NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-044-179-928 |
0.63 |
OC12CCCCC1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-021-775-834 |
0.62 |
CO[C@H]1[C@H](NC(=O)CC2=CC=C3OCOC3=C2)C2=C(C=CC=C2)C11CCNCC1
|
|
| MolPort-000-698-309 |
0.62 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-827-872 |
0.62 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-002-509-545 |
0.62 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-046-153-066 |
0.62 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MolPort-027-698-554 |
0.62 |
FC(F)(F)C1=CC=CC=C1CNCC1(CCOCC1)C1=CC=C2OCOC2=C1
|
|
| MolPort-044-179-163 |
0.62 |
Cl.OC12CCCCC1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-016-583-687 |
0.62 |
Cl.OC12CCCCC1C(NCC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-044-178-232 |
0.62 |
CC(C)C1CC(CCNCC2=CC=C3OCOC3=C2)(CC(O1)C(C)C)C1=CC=C(F)C=C1
|
|
| MolPort-002-616-016 |
0.62 |
OC12CCCCC1C(N(CC1=CC(F)=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MCULE-1643056995 |
0.62 |
C12CCCCC1(O)CCNC2C1C=CC2=C(OCO2)C=1
|
|
| MCULE-3744241209 |
0.62 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C)(C)C1)C1C=CC(=CC=1)OC
|
|
| MCULE-3943888070 |
0.62 |
N12CC3C=C4OCOC4=CC=3[C@]3([H])CCC[C@@](CC1=O)([H])[C@]23[H]
|
|
| MCULE-8445759058 |
0.62 |
[C@@]12([H])CCCC[C@]1(O)CCN[C@H]2C1=CC=C2C(OCO2)=C1
|
|
| MCULE-2827032779 |
0.62 |
[C@@H]1(NC(CC2C=CC3=C(OCO3)C=2)=O)C2=CC=CC=C2C2(CCNCC2)[C@H]1OC
|
|
| MCULE-6546755946 |
0.62 |
C12C3(CCCC3)CNC(CO)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9021428536 |
0.62 |
[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-3946903585 |
0.62 |
FC(C1=C(CNCC2(C3=CC4=C(OCO4)C=C3)CCOCC2)C=CC=C1)(F)F
|
|
| MCULE-3515640577 |
0.62 |
Cl.C12CCCCC1(O)CCNC2C1C=CC2=C(OCO2)C=1
|
|
| MCULE-2104347335 |
0.62 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=C(F)C=1
|
|
| MCULE-1524671356 |
0.62 |
C1(CCNCC2C=CC3=C(OCO3)C=2)(C2=CC=C(C=C2)F)CC(C(C)C)OC(C(C)C)C1
|
|
| MCULE-9841539432 |
0.62 |
C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-8850292099 |
0.62 |
C12C3(CCCCC3)CNC(CCC3=CC=CC=C3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-3208253083 |
0.62 |
Cl.C12C3(CCCC3)CNC(CO)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-7517414708 |
0.62 |
[Cl-].[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-1513524652 |
0.62 |
C12C3CCN(C)C1CC1(CCC(CC1)=NO)C=2C1=C(OCO1)C=3
|
|
| MCULE-7135946132 |
0.62 |
N1(CCC2C(=CC=C(OC)C=2)C1)[C@@H]1C2=CC=CC=C2C2(CCNCC2)[C@H]1O
|
|
| MCULE-9251664006 |
0.62 |
COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-7547592688 |
0.62 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MCULE-5634444264 |
0.62 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
|
|
| MCULE-8055874857 |
0.62 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
|
|
| MCULE-2900334347 |
0.62 |
C12C3(CCCCC3)CNCC1=CC(=C(OC)C=2)OC
|
|
| MCULE-4665989534 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC1(CCCCC1)C#C
|
|
| MCULE-2190839823 |
0.62 |
[Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MolPort-045-902-304 |
0.62 |
COC1=CC2=C(C=C1OC)C1(CCCCC1)CNC2CCC1=CC=CC=C1
|
|
| MolPort-001-619-564 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(C)C2
|
|
| MolPort-000-734-700 |
0.62 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCCC1)C[NH+](C)C2
|
|
| MolPort-001-925-312 |
0.62 |
CN1CCC2=CC3=C(OCO3)C3=C2C1CC31CCC(CC1)=NO
|
|
| MolPort-002-518-962 |
0.62 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
|
|
| MolPort-002-527-813 |
0.62 |
COC1=C(O)C=C2CCN(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
|
|
| MolPort-002-536-371 |
0.62 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@@H](C)C2=C1
|
|
| MolPort-005-154-456 |
0.62 |
COC1=CC=C2CN(CCC2=C1)[C@H]1[C@H](O)C2(CCNCC2)C2=C1C=CC=C2
|
|
| MolPort-045-991-505 |
0.62 |
COCCCN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-035-705-695 |
0.62 |
CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-019-936-918 |
0.62 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MolPort-035-705-694 |
0.62 |
CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-046-596-102 |
0.62 |
COC1=C(OC)C=C2C(CNCC22CCCCC2)=C1
|
|
| MolPort-000-704-377 |
0.62 |
[Cl-].COC1=CC=C(CCC2[NH2+]CC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-009-757-663 |
0.62 |
Cl.COC1=CC=C(CCC2NCC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-522-125 |
0.61 |
CC1=CC=C(CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-044-179-021 |
0.61 |
CC1=CC=C(CN2CCC3(O)CCCCC3[C@@H]2C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-046-684-169 |
0.61 |
CC1=CC=C(C=C1)S(O)(=O)=O.CC1=CC=C(C=C1)S(O)(=O)=O.COC1=C(OC)C=C2[C@H]3C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-046-765-234 |
0.61 |
COC1=CC=C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CC[N@+]2(C)CCC(=O)OCCCCC(C)OC(=O)CC[N@@+]2(C)CCC3=CC(OC)=C(OC)C=C3[C@H]2CC2=CC(OC)=C(OC)C=C2)C=C1OC
|
|
| MolPort-008-362-465 |
0.61 |
COC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC2=C1OCO2
|
|
| MolPort-005-288-476 |
0.61 |
Cl.COC1=C(OC)C=C2CN(CC(O)COC3(CCCCC3)C#C)CCC2=C1
|
|
| MolPort-001-012-635 |
0.61 |
Cl.COC1=C(OC)C=C2C(CNCC22CCCCC2)=C1
|
|
| MolPort-009-104-182 |
0.61 |
COC1=CC=C(CNCC2(CCOCC2)C2=CC=C3OCOC3=C2)C=C1O
|
|
| MolPort-000-834-222 |
0.61 |
[Cl-].COC1=C(OC)C=C2C(C[NH2+]CC22CCCCC2)=C1
|
|
| MolPort-009-757-712 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCCCN1CC3=C(C=C(OC)C(OC)=C3)C3(CCCC3)C1)C2
|
|
| MolPort-002-512-889 |
0.61 |
CC1=CC=C(C=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
|
|
| MolPort-001-994-785 |
0.61 |
CC1=CC=C(C=C1)C(CCNCC1=CC2=C(OCO2)C=C1)C1CCOC(C)(C)C1
|
|
| MolPort-000-744-921 |
0.61 |
[Cl-].[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH+](CCCCC[NH+]1CC3=C(C=C(OC)C(OC)=C3)C3(CCCC3)C1)C2
|
|
| MCULE-1818050283 |
0.61 |
[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-9158812025 |
0.61 |
C(C1C2OC(CC2)C1)NCC1(C2=CC3=C(OCO3)C=C2)CCOCC1
|
|
| MCULE-8986694685 |
0.61 |
N1(CC2=CC=C(C=C2)C)CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O
|
|
| MCULE-8835467700 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
|
|
| MCULE-5665937776 |
0.61 |
C12OCOC1=CC(CN1CCCC(CO)(CC3=CC=CC=C3C)C1)=CC=2OC
|
|
| MCULE-6029097116 |
0.61 |
Cl.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(O)COC1(CCCCC1)C#C
|
|
| MCULE-4243966834 |
0.61 |
COC1C=C2C(C(N(C(C3C4OC(CC4)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6781350879 |
0.61 |
COC1=C(O)C=C(CNCC2(C3=CC4=C(OCO4)C=C3)CCOCC2)C=C1
|
|
| MCULE-4093641788 |
0.61 |
[Cl-].C12C3(CCCCC3)C[NH2+]CC1=CC(=C(OC)C=2)OC
|
|
| MCULE-5574153733 |
0.61 |
C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-8697589965 |
0.61 |
[Cl-].[Cl-].[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-3826285458 |
0.61 |
C12=CC(CNCCC(C3C=CC(=CC=3)C)C3CCOC(C)(C)C3)=CC=C1OCO2
|
|
| MCULE-2288198189 |
0.61 |
C(CNCC1C=CC2OCOC=2C=1)C1(C2=CC=C(C)C=C2)CCOC(C)(C1)C
|
|
| MCULE-1157429162 |
0.61 |
[C@H]12COC(=O)[C@@H]1[C@@H](C1=CC3OCOC=3C=C1[C@H]2NC(CC1C=CC=CC=1)=O)C1=CC(=C(OC)C(OC)=C1)OC
|
|
| MCULE-6648965789 |
0.61 |
C1(CCNCC2=CC=C3C(OCO3)=C2)(CCOC(C(C)C)C1)C1=CC=CC=C1OC
|
|
| MCULE-1720666642 |
0.61 |
C1(OC)=C(OC)C=C2CN3CCC(N)C[C@]3(CC2=C1)[H]
|
|
| MCULE-1389270124 |
0.61 |
C1(N(CC#N)CCC2(CCCCC12)O)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-1617514828 |
0.61 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CC1(CC1)CC(O)=O
|
|
| MCULE-6280070500 |
0.61 |
C12=CC(CNCCC3(CCOC(C(C)C)C3)CC3=CC=CC=C3)=CC=C1OCO2
|
|
| MCULE-4012425697 |
0.61 |
C12=C(CCN(C)C1CC(C1=CC=CC=C1)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4097240093 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(C3COCCC3)=O)C2C2CC2)=C1
|
|
| MCULE-9754253969 |
0.61 |
[Cl-].C1(CC[NH2+]CC2C=CC3=C(OCO3)C=2)(CCOC(C)(C)C1)C1C=CC(C)=CC=1
|
|
| MCULE-1012773985 |
0.61 |
[Cl-].C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-5064943301 |
0.61 |
COC1=CC2=C(C(N(CCC3OCCO3)C)CCC2)C=C1
|
|
| MCULE-3791845043 |
0.61 |
C12=CC(CNCCC(C3C=CC(=CC=3)C)C3CCOC(C)(C)C3)=CC=C1OCO2.Cl
|
|
| MCULE-5228538208 |
0.61 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=CC=1F
|
|
| MCULE-3741890518 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC(COCC2OCCC2)O)=C1
|
|
| MCULE-3990987114 |
0.61 |
COC1C=C2C(C(N(C(CCC3OC(C)CC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-4592993335 |
0.61 |
COC1C=C2C(C(N(C(CCC3OCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-7445602245 |
0.61 |
COC1C=C2C(C(N(C(CCC3OCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5262270574 |
0.61 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
|
|
| MCULE-6576556941 |
0.61 |
C(F)(F)(F)C1=CC=CC(=C1)C1(CCNCC2=CC=C3C(OCO3)=C2)CCOC(C)(C)C1
|
|
| MolPort-002-519-450 |
0.61 |
COC1=C(C=CC=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C1)C(C)C
|
|
| MolPort-046-689-561 |
0.61 |
COC1=C2O[C@@H]3CC(=O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-002-610-015 |
0.61 |
OC12CCCCC1C(N(CC#N)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-039-009-201 |
0.61 |
COC1=CC2=C(C=C1OC)C1CC(CCN1CC2)C1=CC=CC=C1
|
|
| MolPort-039-033-049 |
0.61 |
COC1=CC2=C(CN3CCC(N)C[C@H]3C2)C=C1OC
|
|
| MolPort-046-467-472 |
0.61 |
CC1N(CC2(CC(O)=O)CC2)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MolPort-000-855-966 |
0.61 |
CC(C)C1CC(CCNCC2=CC3=C(OCO3)C=C2)(CC2=CC=CC=C2)CCO1
|
|
| MolPort-002-514-890 |
0.61 |
COC1=C2C(CC(OC(C)=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-122-149 |
0.61 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)C1CCCOC1
|
|
| MolPort-002-610-138 |
0.61 |
OC12CCCCC1C(N(CC1=C(F)C=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-331-661 |
0.61 |
Cl.CC1=CC=C(C=C1)C1(CCNCC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
|
|
| MolPort-039-317-410 |
0.61 |
COC1=CC=C2C(CCCC2=C1)N(C)CCC1OCCO1
|
|
| MolPort-002-230-801 |
0.61 |
Cl.CC1=CC=C(C=C1)C(CCNCC1=CC2=C(OCO2)C=C1)C1CCOC(C)(C)C1
|
|
| MolPort-002-513-481 |
0.61 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@@H]4[C@@H](CC5=CCCC(C)[C@@]5(C)C4O)OC3=O)CCC2=C1
|
|
| MolPort-000-701-576 |
0.61 |
[Cl-].CC1=CC=C(C=C1)C1(CC[NH2+]CC2=CC=C3OCOC3=C2)CCOC(C)(C)C1
|
|
| MolPort-005-700-911 |
0.61 |
COC1=CC2=C(C=C1OC)C(N(CC(O)COCC1CCCO1)CC2)C1=CC=CC=C1
|
|
| MolPort-044-754-200 |
0.61 |
COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
|
|
| MolPort-002-650-037 |
0.60 |
CC1(C)CC(CCNCC2=CC=C3OCOC3=C2)(CCO1)C1=CC=CC(=C1)C(F)(F)F
|
|
| MolPort-002-514-879 |
0.60 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-373 |
0.60 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-450-822 |
0.60 |
O=C(N1CC(C2COCCC12)C1=CC=CC=C1)C1=CC=CC2=C1OCO2
|
|
| MolPort-002-514-217 |
0.60 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-733 |
0.60 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-742-454 |
0.60 |
CC1=CC2=C(OCO2)C=C1CN1C[C@@H]2COCC[C@]2(CO)C1
|
|
| MolPort-002-620-306 |
0.60 |
OC12CCCCC1C(N(CC1=CC=C(F)C=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-016-616-669 |
0.60 |
CCN1C[C@@H]2[C@H](C1)[C@@](CO)(CCO)N[C@@H]2C1=CC2=C(OCO2)C(OC)=C1
|
|
| MolPort-005-945-897 |
0.60 |
CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-002-512-839 |
0.60 |
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-001-742-665 |
0.60 |
CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
|
|
| MolPort-002-513-248 |
0.60 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-199 |
0.60 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-731-251 |
0.60 |
[I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-849-285 |
0.60 |
COC1=CC(=CC(OC)=C1OC)C1N(C)CCC2(OCCO2)C1(C)C
|
|
| MolPort-000-719-611 |
0.60 |
[I-].COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-515-263 |
0.60 |
COC1=C(OC)C=C(C=C1)[C@@H]1[C@@H](CO)OCCN1CC1=CC2=C(OCO2)C=C1C
|
|
| MolPort-001-728-235 |
0.60 |
COC1=CC2=C(C=C1OC)C1N(CCC1(O)C1=CC=C(F)C=C1)CC2
|
|
| MolPort-002-849-283 |
0.60 |
COC1=CC(=CC(OC)=C1OC)C1NCCC2(OCCO2)C1(C)C
|
|
| MolPort-009-757-552 |
0.60 |
Cl.COC1=CC2=C(C=C1OC)C(CCCO)NC(C)(C)C2
|
|
| MolPort-000-739-266 |
0.60 |
[Cl-].COC1=C(OC)C=C2C(CCCO)[NH2+]C(C)(C)CC2=C1
|
|
| MolPort-005-932-641 |
0.60 |
COC1=CC=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC=C(OC)C(OC)=C2)C=C1OC
|
|
| MolPort-041-698-010 |
0.60 |
CC1N(CCCC(O)=O)CC2(CCCC2)C2=CC3=C(OCCO3)C=C12
|
|
| MCULE-8730131893 |
0.60 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3881131227 |
0.60 |
O=C(C1=C2C(OCO2)=CC=C1)N1C2C(COCC2)C(C2=CC=CC=C2)C1
|
|
| MCULE-9998216031 |
0.60 |
[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-2481834529 |
0.60 |
N1(C[C@H]2[C@@](CCOC2)(CO)C1)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-4940393659 |
0.60 |
N1(CC2=CC=C(C=C2)F)CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O
|
|
| MCULE-7048906339 |
0.60 |
[C@@H]12CN(C[C@@H]1[C@@](N[C@@H]2C1=CC(OC)=C2C(OCO2)=C1)(CO)CCO)CC
|
|
| MCULE-9876526208 |
0.60 |
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-3329567447 |
0.60 |
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-3993706568 |
0.60 |
C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
|
|
| MCULE-1656184724 |
0.60 |
C1(C)(C)C(N(C)CCC21OCCO2)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-5766652897 |
0.60 |
N1(CCO[C@H](CO)[C@H]1C1=CC=C(C(OC)=C1)OC)CC1=C(C)C=C2C(OCO2)=C1
|
|
| MCULE-9088841301 |
0.60 |
C12C=C(OC)C(=CC=1CCN1CCC(O)(C3C=CC(=CC=3)F)C21)OC
|
|
| MCULE-2232276996 |
0.60 |
[Cl-].[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-2866746125 |
0.60 |
COC1C=CC(CC2[N+](CCC(OCCCCCOC(CC[N+]3(C(CC4C=CC(OC)=C(OC)C=4)C4C(=CC(=C(C=4)OC)OC)CC3)C)=O)=O)(C)CCC3C2=CC(=C(C=3)OC)OC)=CC=1OC
|
|
| MCULE-3593377452 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCC(O)=O
|
|
| MCULE-2740137066 |
0.60 |
O=C(CC[N@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=CC=1)OC)OC)C)OCCCCCOC(=O)CC[N@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=CC=1)OC)OC)C
|
|
| MCULE-3491567709 |
0.60 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1CCC(=O)O)OCCO3
|
|
| MCULE-5722892726 |
0.60 |
O(C)C1=C(C=C2CC[N@@+](C)(CCC(=O)OCCCCCOC(CC[N@+]3(C)CCC4=CC(=C(C=C4[C@H]3CC3=CC=C(C(=C3)OC)OC)OC)OC)=O)[C@H](CC3=CC=C(C(=C3)OC)OC)C2=C1)OC
|
|
| MCULE-8384099361 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCCC(O)=O
|
|
| MCULE-7551574525 |
0.60 |
COC1=C(OC)C=C(C[C@H]2[N@+](CCC(OCCCCCOC(CC[N@@+]3([C@H](CC4=CC(OC)=C(OC)C=C4)C4=C(C=C(C(=C4)OC)OC)CC3)C)=O)=O)(C)CCC3=C2C=C(C(=C3)OC)OC)C=C1
|
|
| MCULE-8781608015 |
0.60 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6495665471 |
0.60 |
N12CC(CC)C(CC3NCCC4=CC(OC)=C(OC)C=C34)CC1C1C=C(OC)C(OC)=CC=1CC2.Br
|
|
| MCULE-9674501627 |
0.60 |
Cl.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-6176661820 |
0.60 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl
|
|
| MCULE-1754478820 |
0.60 |
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.Cl[H].Cl[H]
|
|
| MCULE-3232466040 |
0.60 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl.Cl
|
|
| MCULE-9330327410 |
0.60 |
[H]Cl.[H]Cl.COC1C(OC)=CC2CCN[C@H](C[C@H]3C[C@]4([H])N(CCC5C4=CC(OC)=C(OC)C=5)C[C@@H]3CC)C=2C=1
|
|
| MCULE-4321715972 |
0.60 |
C12=CC(C[NH2+]CCCC(CC3C=CC=CC=3)C3CCOC(C)(C)C3)=CC=C1OCO2
|
|
| MCULE-2567233272 |
0.60 |
C12C3(CCCC3)CNCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-2340718939 |
0.60 |
N1(CCC2C(=CC=C(OC)C=2)C1)CC1CCCOC1
|
|
| MCULE-2849891955 |
0.60 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1C(OC)(OC)CCC24)C3=5
|
|
| MCULE-3135848287 |
0.60 |
C12C(O1)(C)CCC1C(C)CCC3C21OC(C3C[NH+]1CCN(CC2C=CC3=C(OCO3)C=2)CC1)=O
|
|
| MCULE-9035037609 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CC(COC1=CC=C(C#N)C=C1)O
|
|
| MCULE-3458399117 |
0.60 |
C12=C(CCNC1([H])CC(O)C1C=CC=CC=1)C=C(C(OC)=C2)OC
|
|
| MCULE-6178904114 |
0.60 |
COC1C=C2C(C(N(C(CC3OCCCC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-1105978207 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4570227198 |
0.60 |
C1(CC(OC21CCCC2)=O)C(=O)N1CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-1872782088 |
0.60 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6289807412 |
0.60 |
COC(CC1=C(CN2C(C3=CC4=C(OCO4)C=C3)CCC2)C=CC=C1)=O
|
|
