| MCULE-4471227410 |
1 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-9316066032 |
1 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
|
|
| MCULE-8029878723 |
1 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MolPort-030-042-292 |
1 |
OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
|
|
| MolPort-000-882-129 |
1 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-000-707-381 |
0.99 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-000-739-651 |
0.99 |
[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 |
0.99 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MCULE-4900852218 |
0.99 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-5300920464 |
0.99 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
|
|
| MolPort-044-754-200 |
0.94 |
COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
|
|
| MCULE-5262270574 |
0.94 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
|
|
| MCULE-8351086732 |
0.92 |
[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 |
0.92 |
CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-019-936-918 |
0.85 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MCULE-7547592688 |
0.85 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MolPort-046-153-066 |
0.83 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MCULE-9694482286 |
0.75 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-3609746722 |
0.75 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MolPort-035-668-917 |
0.75 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
|
|
| MolPort-002-526-469 |
0.75 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-044-179-667 |
0.75 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MolPort-046-594-236 |
0.75 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
|
|
| MolPort-023-278-199 |
0.72 |
COC1=C[C@@]23CCCN2CCC2=C(C=C4OCOC4=C2)C3[C@H]1O
|
|
| MolPort-006-393-155 |
0.72 |
COC1=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@@H]3[C@@H]1O
|
|
| MolPort-046-762-433 |
0.72 |
COC1=C[C@]23CCCN2CCC2=CC4=C(OCO4)C=C2[C@]3(C)[C@@H]1O
|
|
| MCULE-4137138776 |
0.72 |
O[C@@H]1C(=C[C@]23CCCN2CCC2C=C4OCOC4=CC=2[C@]13[H])OC
|
|
| MCULE-4117572249 |
0.72 |
O1COC2C=C3[C@]4([H])[C@H](O)C(OC)=C[C@]54CCCN5CCC3=CC1=2
|
|
| MolPort-035-705-700 |
0.69 |
COC1=C[C@]23CCCN2CCC2=C(C=C4OCOC4=C2)[C@]3(O)[C@@H]1O
|
|
| MCULE-8392144291 |
0.69 |
C12OCOC=1C=C1[C@]3(O)[C@H](O)C(OC)=C[C@]43CCCN4CCC1=C2
|
|
| MCULE-5816040634 |
0.68 |
C1(OC)C=C2CCCN3CCC4[C@]3(C2=CC=1OC)C[C@@H](OC)CC=4
|
|
| MolPort-035-705-698 |
0.68 |
CO[C@H]1CC=C2CCN3CCCC4=CC(OC)=C(OC)C=C4[C@]23C1
|
|
| MolPort-039-052-541 |
0.67 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-046-597-999 |
0.67 |
CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MCULE-9348625348 |
0.67 |
C1(OC)C=C2CCN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-5788232203 |
0.67 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MCULE-2013679897 |
0.67 |
C12CC(C=CC1N(C(=O)C1=CC3=C(OCO3)C=C21)CC1=CC=CC=C1)OCC1C=CC=CC=1
|
|
| MolPort-000-710-663 |
0.67 |
[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 |
0.67 |
[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-039-009-144 |
0.67 |
O=C1N(CC2=CC=CC=C2)C2C=CC(CC2C2=CC3=C(OCO3)C=C12)OCC1=CC=CC=C1
|
|
| MolPort-020-005-766 |
0.66 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-001-742-071 |
0.66 |
CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-046-594-424 |
0.66 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
|
|
| MolPort-046-158-499 |
0.66 |
CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
|
|
| MolPort-046-793-208 |
0.66 |
Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
|
|
| MCULE-4289242615 |
0.66 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9582795993 |
0.66 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-9646553011 |
0.66 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-7728607823 |
0.66 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-2217428265 |
0.66 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-4042281796 |
0.65 |
C12OCOC=1C=C1[C@]3([H])[C@H](OC(=O)C)C(OC)=C[C@]43CCCN4CCC1=C2
|
|
| MolPort-035-705-697 |
0.65 |
COC1=C[C@]23CCCN2CCC2=C(C=C4OCOC4=C2)[C@@H]3[C@@H]1OC(C)=O
|
|
| MolPort-019-939-284 |
0.64 |
O[C@H]1C=C2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@H](O)[C@@H]1O
|
|
| MolPort-035-705-694 |
0.64 |
CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-035-705-695 |
0.64 |
CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-020-005-721 |
0.64 |
COC1=C(OC)C=C2[C@H]3[C@@H]4N(C)CCC4=CC[C@H]3O[C@H](O)C2=C1
|
|
| MCULE-8933626175 |
0.64 |
C1=C2[C@@]([H])(NC(=O)C3=C2C=C2OCOC2=C3O)[C@H](O)[C@H](O)[C@H]1O
|
|
| MCULE-3847586114 |
0.64 |
C12OCOC=1C(O)=C1C(=O)N[C@@]3([H])[C@H](O)[C@H](O)[C@@H](O)C=C3C1=C2
|
|
| MCULE-8055874857 |
0.64 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
|
|
| MCULE-5634444264 |
0.64 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
|
|
| MCULE-5221626866 |
0.64 |
C12CCN(C)[C@@]1([H])[C@]1([H])C3C=C(OC)C(OC)=CC=3[C@@H](O)O[C@]1([H])CC=2
|
|
| MCULE-7658434182 |
0.64 |
C1(OC)C=C2[C@@H](O)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MolPort-035-705-692 |
0.64 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](O)C1=CC(OC)=C(OC)C=C31
|
|
| MCULE-4557116195 |
0.63 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
|
|
| MCULE-3290305628 |
0.63 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
|
|
| MolPort-044-181-432 |
0.63 |
Cl.O[C@H]1CC[C@@H]2CN3CCC4=CC5=C(OCO5)C=C4[C@@H]3C[C@@H]2C1
|
|
| MolPort-046-598-105 |
0.62 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-244 |
0.62 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-483 |
0.62 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
|
|
| MolPort-000-838-617 |
0.62 |
[Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-149-824 |
0.62 |
COC1=C(OC)C=C2CN(CC3=CCC4CC3C4(C)C)CCC2=C1
|
|
| MolPort-009-758-073 |
0.62 |
[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
|
|
| MCULE-1125068793 |
0.62 |
C12CC(C1(C)C)CC=C2CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-7858309300 |
0.62 |
[H][C@]12[C@@H]3N(CC[C@]41C1C(C3)=CC=C(O)C=1O[C@@H]4[C@H](O)C=C2)CC=C
|
|
| MCULE-5124333350 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-5907992453 |
0.62 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1351275688 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC(CC=1)C(C)=C
|
|
| MCULE-7182113443 |
0.62 |
[H]Cl.[H][C@]12[C@@H]3N(CC[C@]41C1C(C3)=CC=C(O)C=1O[C@@H]4[C@H](O)C=C2)CC=C
|
|
| MCULE-3411300988 |
0.62 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2028522222 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MolPort-002-516-591 |
0.62 |
COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-289 |
0.62 |
COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-516-922 |
0.62 |
COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-834-329 |
0.62 |
COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-149-305 |
0.62 |
COC1=C(OC)C=C2CN(CC3=CCC(CC3)C(C)=C)CCC2=C1
|
|
| MolPort-002-522-202 |
0.62 |
COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-002-516-603 |
0.62 |
COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-612 |
0.62 |
COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-035-705-691 |
0.61 |
CO[C@@H]1C[C@@]23N(CCC4=C2C=C(OC)C(OC)=C4)C(=O)C=C3C=C1
|
|
| MolPort-039-052-546 |
0.61 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](OC)C1=CC(OC)=C(OC)C=C31
|
|
| MolPort-000-717-312 |
0.61 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-745-031 |
0.61 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-009-757-991 |
0.61 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-008-155-948 |
0.61 |
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 |
0.61 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
|
|
| MolPort-000-831-098 |
0.61 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-002-535-312 |
0.61 |
COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CC[N+]3(C)C
|
|
| MolPort-046-689-145 |
0.61 |
[2H]C([2H])([2H])OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@@H]5CC(C=C1)=C2[C@@]34CCN5C([2H])([2H])[2H]
|
|
| MolPort-046-762-432 |
0.61 |
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
|
|
| MolPort-002-518-995 |
0.61 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-046-693-204 |
0.61 |
COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
|
|
| MCULE-8735310306 |
0.61 |
C1(OC)C=C2[C@@H](OC)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-2758949512 |
0.61 |
C1(OC)C=C2CCN3C(=O)C=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-3528726804 |
0.61 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-4573182060 |
0.61 |
N12CCC(=O)CC1CC1=CC3OCOC=3C=C1C2
|
|
| MCULE-1060140243 |
0.61 |
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 |
0.61 |
CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
|
|
| MCULE-8245880204 |
0.61 |
C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-5660778036 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-8292232115 |
0.61 |
C123CC[N+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)(C)C
|
|
| MCULE-7695106231 |
0.61 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C=CC24)O)C3=5
|
|
| MCULE-2327203253 |
0.61 |
C123CC[NH+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)C
|
|
| MCULE-2469130511 |
0.61 |
C123CC[NH+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)C.[Br-]
|
|
| MCULE-3167742189 |
0.61 |
C123CC[N+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)(C)C.[I-]
|
|
| MCULE-1446120151 |
0.61 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-9667743097 |
0.61 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-7105415085 |
0.61 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
|
|
| MCULE-7105035945 |
0.61 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
|
|
| MCULE-6498289847 |
0.61 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
|
|
| MCULE-4171448748 |
0.61 |
COC1C=C2C(C(N(C(C3CCCC=3C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MolPort-000-840-795 |
0.61 |
[I-].COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CC[N+]3(C)C
|
|
| MolPort-046-690-658 |
0.61 |
Cl.COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5
|
|
| MolPort-000-752-271 |
0.61 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-046-418-253 |
0.61 |
COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-028-744-724 |
0.61 |
COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-006-393-731 |
0.61 |
COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-006-393-733 |
0.61 |
COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-002-520-105 |
0.61 |
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-002-515-137 |
0.60 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-596-509 |
0.60 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-526-039 |
0.60 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-567-569 |
0.60 |
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)OC1C2C3=CC4=C(OCO4)C=C3CCN3CCCC23C=C1OC
|
|
| MolPort-003-983-592 |
0.60 |
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=C(CCN4CCC[C@]24C=C1OC)C=C1OCOC1=C3
|
|
| MolPort-005-932-836 |
0.60 |
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=C(CCN4CCCC24C=C1OC)C=C1OCOC1=C3
|
|
| MolPort-006-170-008 |
0.60 |
COC(=O)CC(O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@@H]2C3=C(CCN4CCC[C@]24C=C1OC)C=C1OCOC1=C3
|
|
| MolPort-046-069-315 |
0.60 |
COC(=O)CC(O)(CCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=CC4=C(OCO4)C=C3CCN3CCC[C@]23C=C1OC
|
|
| MolPort-044-560-208 |
0.60 |
COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@H]1[C@H]2C3=CC4=C(OCO4)C=C3CCN3CCC[C@]23C=C1OC
|
|
| MolPort-000-698-309 |
0.60 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-696 |
0.60 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-180 |
0.60 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-725-791 |
0.60 |
[OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MCULE-9318246296 |
0.60 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9257119496 |
0.60 |
C12OCOC=1C=C1[C@]3([H])[C@H](OC([C@](O)(CC(OC)=O)CCCC(O)(C)C)=O)C(OC)=C[C@]43CCCN4CCC1=C2
|
|
| MCULE-1146657555 |
0.60 |
OC(CCC[C@](C(O[C@H]1[C@]2([H])[C@@]3(N(CCC4C2=CC2OCOC=2C=4)CCC3)C=C1OC)=O)(CC(OC)=O)O)(C)C
|
|
| MCULE-5000197122 |
0.60 |
[C@@]123CCN(C4CC5=CC=C(OC)C(OC1(C)C1(OC)C(CC24C=C1)C)=C35)C
|
|
| MCULE-3059804519 |
0.60 |
O=C([C@@](CC(=O)OC)(O)CCC(C)(O)C)O[C@H]1[C@]2([H])[C@@]3(N(CCC4C2=CC2OCOC=2C=4)CCC3)C=C1OC
|
|
| MCULE-7402810062 |
0.60 |
O=C([C@](CC(=O)OC)(CCC(C)(C)O)O)O[C@@H]1C(OC)=C[C@@]23N(CCC2)CCC2C(=CC4OCOC=4C=2)[C@]13[H]
|
|
| MCULE-1514692384 |
0.60 |
C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-8407052594 |
0.60 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-1468712024 |
0.60 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
|
|
| MCULE-2441617085 |
0.60 |
COC1=CC2=C(CC(N(C(C3CCOCC=3)=O)C2)C2CCCCC2)C=C1
|
|
| MCULE-4388586177 |
0.60 |
COC1C=C2C(C(N(C(CC3CCCCC=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6259345237 |
0.60 |
[I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-1332611476 |
0.60 |
C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
