| MolPort-046-153-066 |
0.77 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MolPort-019-936-918 |
0.76 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MCULE-7547592688 |
0.76 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MCULE-5634444264 |
0.72 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
|
|
| MCULE-8055874857 |
0.72 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
|
|
| MCULE-8961249760 |
0.72 |
C12OCOC=1C=C1COC3(O)CN(C)C4CC(OC)C=CC34C1=C2
|
|
| MCULE-5333356766 |
0.72 |
[C@@]123C=C[C@H](C[C@@]1([H])N(C[C@@]2(O)OCC1C=C2OCOC2=CC3=1)C)OC
|
|
| MolPort-035-705-694 |
0.72 |
CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-035-705-695 |
0.72 |
CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-002-512-188 |
0.72 |
CO[C@H]1C[C@H]2N(C)C[C@@]3(O)OCC4=C(C=C5OCOC5=C4)[C@@]23C=C1
|
|
| MolPort-019-936-809 |
0.72 |
COC1CC2N(C)CC3(O)OCC4=CC5=C(OCO5)C=C4C23C=C1
|
|
| MCULE-8029878723 |
0.70 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-4471227410 |
0.70 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-9316066032 |
0.70 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
|
|
| MolPort-030-042-292 |
0.70 |
OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
|
|
| MolPort-000-882-129 |
0.70 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-000-707-381 |
0.69 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-000-739-651 |
0.69 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-009-653-412 |
0.69 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MCULE-5300920464 |
0.69 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
|
|
| MCULE-4900852218 |
0.69 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-8351086732 |
0.68 |
[C@]12([H])[C@H](O)[C@@H](OC)C=C3CCN(CC4=CC(OC)=C(OC)C=C14)[C@@]23[H]
|
|
| MolPort-023-274-267 |
0.68 |
CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-046-597-999 |
0.68 |
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 |
0.68 |
[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
|
|
| MolPort-000-710-663 |
0.68 |
[I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-002-520-105 |
0.66 |
COC1=C(OC)C=C2CN(CC3[C@@H]4[C@@H](CC5=CCCC(C)[C@@]5(C)C4O)OC3=O)C(C)CC2=C1
|
|
| MolPort-002-517-345 |
0.66 |
COC1CC2N3CC(O)[C@@]2(C=C1)C1=C(C=C2OCOC2=C1)C3C1=C(O)N(C)C(=O)N(C)C1=O
|
|
| MolPort-044-754-200 |
0.65 |
COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
|
|
| MCULE-5262270574 |
0.65 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
|
|
| MCULE-3609746722 |
0.65 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MCULE-9694482286 |
0.65 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MolPort-046-594-236 |
0.65 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
|
|
| MolPort-035-668-917 |
0.65 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
|
|
| MolPort-044-179-667 |
0.65 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MolPort-002-526-469 |
0.65 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-046-417-730 |
0.64 |
COC1=C2O[C@H]3C[C@@H](OC(=O)C4=CC=CC=C4)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MCULE-2149328650 |
0.64 |
N1(C)CC2=CC=C(OC)C3O[C@]4([H])[C@@](C=C[C@H](OC(=O)C5=CC=CC=C5)C4)(C2=3)CC1
|
|
| MCULE-6524054120 |
0.64 |
CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
|
|
| MCULE-8245880204 |
0.64 |
C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-1060140243 |
0.64 |
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-5816040634 |
0.64 |
C1(OC)C=C2CCCN3CCC4[C@]3(C2=CC=1OC)C[C@@H](OC)CC=4
|
|
| MolPort-008-155-948 |
0.64 |
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 |
0.64 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
|
|
| MolPort-035-705-698 |
0.64 |
CO[C@H]1CC=C2CCN3CCCC4=CC(OC)=C(OC)C=C4[C@]23C1
|
|
| MolPort-000-797-380 |
0.63 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-2674783794 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1513496109 |
0.63 |
[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
|
|
| MolPort-046-763-895 |
0.63 |
COC1=C2O[C@@H]3C[C@@H](OC(=O)C45CCC(C)(C(=O)O4)C5(C)C)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-009-758-062 |
0.62 |
[Cl-].CCCCC[N@+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
|
|
| MolPort-000-696-189 |
0.62 |
[I-].CCCC[N+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
|
|
| MolPort-046-792-891 |
0.62 |
COC1=C2O[C@@H]3C[C@H](O)C=C[C@]33CCNCC(C=C1)=C23
|
|
| MolPort-046-689-869 |
0.62 |
COC1=C2O[C@H]3C[C@H](O)C=C[C@@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-689-867 |
0.62 |
[2H]C([2H])([2H])OC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-689-388 |
0.62 |
COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCNCC(C=C1)=C23
|
|
| MolPort-001-966-661 |
0.62 |
COC1=CC=C2CN(C)CCC34C=CC(O)CC3OC1=C24
|
|
| MolPort-002-513-481 |
0.62 |
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-002-521-885 |
0.62 |
COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-046-689-866 |
0.62 |
COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-689-868 |
0.62 |
[2H]C([2H])([2H])OC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(CC(C=C1)=C23)C([2H])([2H])[2H]
|
|
| MolPort-044-180-238 |
0.62 |
COC1=CC=C2CN(C)CC[C@]34C=CC(O)CC3OC1=C24
|
|
| MolPort-046-157-457 |
0.62 |
COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@]3(C)OC1=C24
|
|
| MolPort-044-334-644 |
0.62 |
COC1=CC=C2CN(C)CC[C@@]34C=CC(O)CC3OC1=C24
|
|
| MCULE-9591780428 |
0.62 |
OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1
|
|
| MCULE-5480033808 |
0.62 |
[I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
|
|
| MCULE-5400019199 |
0.62 |
[C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
|
|
| MCULE-7226205054 |
0.62 |
COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
|
|
| MCULE-2540043444 |
0.62 |
[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
|
|
| MCULE-6987203506 |
0.62 |
OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1.Br
|
|
| MCULE-5565372174 |
0.62 |
C12([H])CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
|
|
| MCULE-4606036610 |
0.62 |
C12(C)CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
|
|
| MCULE-3989035386 |
0.62 |
C1(C2=C3C4(C=C[C@H](O)C[C@]4(C)O2)CCN(C)CC3=CC=1)OC
|
|
| MCULE-7156449246 |
0.62 |
[C@@]123CCN(CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)C
|
|
| MCULE-6922943220 |
0.62 |
[I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
|
|
| MCULE-8969045978 |
0.62 |
[Br-].[C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
|
|
| MCULE-9904804378 |
0.62 |
COC1C=CC2=C3C4(CCN(C2)C)C(CC(C=C4)O)OC=13.Br
|
|
| MCULE-7403371703 |
0.62 |
Br.COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
|
|
| MCULE-8711317350 |
0.62 |
O[C@H]1C=C[C@@]23CCN(C)CC4=CC=C(OC)C(=C42)O[C@H]3C1.Br
|
|
| MCULE-9698194808 |
0.62 |
[C@@]12([H])C(C(NCCC3=CC=C(C(OC)=C3)OC)=O)[C@@]3(O[C@]1(C=C3)CN(CC1=CC=C3C(OCO3)=C1)C2=O)[H]
|
|
| MolPort-002-530-894 |
0.62 |
COC1=C(OC)C=C2CN(CC3[C@H]4C=C5[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-000-772-437 |
0.62 |
[Br-].COC1=CC=C2C[NH+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-735-111 |
0.62 |
[I-].COC1=CC=C2C[N+](C)(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-705-309 |
0.62 |
[Br-].COC1=CC=C2C[NH+](C)CC[C@@]34C=CC(O)CC3OC1=C24
|
|
| MolPort-003-983-572 |
0.62 |
Br.COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-009-653-443 |
0.62 |
Br.COC1=CC=C2CN(C)CCC34C=C[C@@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-003-665-621 |
0.62 |
Br.COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-002-535-765 |
0.62 |
COC1=CC=C(CCNC(=O)C2C3OC4(CN(CC5=CC=C6OCOC6=C5)C(=O)C24)C=C3)C=C1OC
|
|
| MolPort-046-597-103 |
0.62 |
COC1=CC=C(CCNC(=O)C2[C@@H]3O[C@@]4(CN(CC5=CC=C6OCOC6=C5)C(=O)[C@H]24)C=C3)C=C1OC
|
|
| MolPort-002-508-985 |
0.61 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4C=C5[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-046-689-387 |
0.61 |
CN1CC[C@@]23C=C[C@H](O)C[C@H]2OC2=C(O)C=CC(C1)=C32
|
|
| MolPort-002-531-374 |
0.61 |
COC1=C(OC)C=C2C(CCO)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MCULE-8404716658 |
0.61 |
[C@@]123CCN(CC4C=CC(O)=C(O[C@@]1([H])C[C@@H](O)C=C2)C3=4)C
|
|
| MCULE-9348625348 |
0.61 |
C1(OC)C=C2CCN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-5788232203 |
0.61 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MCULE-7658434182 |
0.61 |
C1(OC)C=C2[C@@H](O)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MolPort-046-598-105 |
0.61 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-244 |
0.61 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-052-541 |
0.61 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-002-532-150 |
0.61 |
COC1=C(OC)C=C2C(CC#N)N(CC3[C@H]4C=C5[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-035-705-692 |
0.61 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](O)C1=CC(OC)=C(OC)C=C31
|
|
| MolPort-000-838-617 |
0.61 |
[Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-073 |
0.61 |
[I-].COC1=C2C(CC(=O)C3CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-667 |
0.60 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5=C(C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-002-516-591 |
0.60 |
COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-846-694 |
0.60 |
COC1=CC=C(CCNC(=O)C2C3OC4(CN(CC5=CC=C6OCOC6=C5)C(=O)C24)C=C3)C=C1
|
|
| MolPort-046-597-001 |
0.60 |
COC1=CC=C(CCNC(=O)C2[C@H]3O[C@]4(CN(CC5=CC=C6OCOC6=C5)C(=O)[C@@H]24)C=C3)C=C1
|
|
| MolPort-002-532-692 |
0.60 |
COC1=C(OC)C=C2CN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MCULE-5124333350 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-9200745463 |
0.60 |
[C@]12([H])C(C(NCCC3C=CC(=CC=3)OC)=O)[C@H]3O[C@@]1(C=C3)CN(CC1=CC=C3C(OCO3)=C1)C2=O
|
|
| MCULE-8849001595 |
0.60 |
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 |
0.60 |
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-4042281796 |
0.60 |
C12OCOC=1C=C1[C@]3([H])[C@H](OC(=O)C)C(OC)=C[C@]43CCCN4CCC1=C2
|
|
| MCULE-9582795993 |
0.60 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-7728607823 |
0.60 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-2217428265 |
0.60 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-4289242615 |
0.60 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9646553011 |
0.60 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-8735310306 |
0.60 |
C1(OC)C=C2[C@@H](OC)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
