| MCULE-7170821286 |
0.92 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
|
|
| MCULE-4498603332 |
0.90 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
|
|
| MolPort-044-649-750 |
0.85 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@](C)(COC(C)=O)C=C5COC(C)=O)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-761-029 |
0.84 |
C[C@H](O)[C@@H](C)C(=O)O[C@H]1CC(C)=C2[C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)OC(C)=O
|
|
| MCULE-8674366228 |
0.84 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-8025116603 |
0.84 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1OC(C)=O
|
|
| MCULE-6482288037 |
0.83 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C
|
|
| MCULE-1443616160 |
0.82 |
CC1C(CCC2COC(=O)C=2)(C)C2CC(O)C=C(CO)C2(COC(C)=O)CC1
|
|
| MCULE-2606384678 |
0.82 |
[C@@H]1(C[C@@]2([H])[C@@](C(CO)=C1)(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)O
|
|
| MCULE-2355974075 |
0.82 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCO)CCC4C3CC=C2C1
|
|
| MolPort-046-690-008 |
0.81 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-530-454 |
0.81 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\C=C\C
|
|
| MolPort-003-855-527 |
0.81 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C\C
|
|
| MolPort-003-702-338 |
0.81 |
C\C=C\C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MCULE-7567944474 |
0.81 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O
|
|
| MCULE-9024401259 |
0.81 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-4343790137 |
0.81 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8493622164 |
0.81 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-9469349565 |
0.80 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=C(COC(=O)C)C#N
|
|
| MolPort-027-640-917 |
0.80 |
CCCCC[C@@H]1OC(=O)CCC\C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2\C=C\1
|
|
| MolPort-046-761-035 |
0.79 |
CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3C(=C)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
|
|
| MolPort-005-944-539 |
0.79 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-005-944-535 |
0.79 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-002-525-135 |
0.79 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-911-120 |
0.79 |
CC(=O)OC1CCC2=C3CCC4(C)CCCC4C3CC(OC(C)=O)C2(C)C1
|
|
| MolPort-002-911-119 |
0.79 |
CC(C)CCCC(C)C1CCC2C3CC(OC(C)=O)C4(C)CC(O)CCC4=C3CCC12C
|
|
| MolPort-028-600-130 |
0.79 |
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O
|
|
| MCULE-5288653087 |
0.79 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-1713731192 |
0.79 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MCULE-2147966582 |
0.79 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-3323781979 |
0.79 |
C12CC(C3(C)CC(CCC3=C1CCC1(C)CCCC21)OC(=O)C)OC(=O)C
|
|
| MCULE-9352894910 |
0.79 |
C12CC(C3(C)CC(CCC3=C1CCC1(C)C(CCC21)C(C)CCCC(C)C)O)OC(=O)C
|
|
| MCULE-5499634167 |
0.79 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-5708067201 |
0.79 |
C1[C@@](O)(C)[C@]2([H])[C@@]3([H])[C@H]4C=C(C)[C@@]5([C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@@]54[H])[C@@]3([H])C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@@H]2C1
|
|
| MCULE-3605854604 |
0.79 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7272779592 |
0.79 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-3193343372 |
0.79 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-9891857644 |
0.79 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3
|
|
| MolPort-042-646-608 |
0.79 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-002-530-359 |
0.79 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-003-855-493 |
0.79 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
|
|
| MolPort-003-712-637 |
0.79 |
C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-039-338-182 |
0.78 |
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
|
|
| MolPort-039-338-116 |
0.78 |
CC(=O)O[C@H]1C[C@@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
|
|
| MolPort-046-418-946 |
0.78 |
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC
|
|
| MCULE-5326752011 |
0.78 |
[C@@]12(CO1)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H](C3=C(C)[C@@H](OC(C)=O)C[C@](O)(C3(C)C)[C@@H](OC(C)=O)[C@@]12[H])OC(C)=O
|
|
| MCULE-8485365768 |
0.78 |
C1=CC2C3(OCCO3)C1C1C(OC(=O)C)C=CC12
|
|
| MCULE-1363593102 |
0.78 |
C(C)(=O)OC1CCC2(C)C3(C1)C(C=C1C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC12[H])O3
|
|
| MolPort-005-945-460 |
0.78 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-793-021 |
0.77 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3[C@@H](O)C=C2C1
|
|
| MolPort-007-980-739 |
0.77 |
CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3C(OC(=O)C3=C)C=C(C)[C@@H]12
|
|
| MolPort-021-804-698 |
0.77 |
C\C=C(\C)C(=O)OCC(CCO)CCC1(C)C(C)CCC2(CO)C1CCC=C2COC(=O)CCC(O)=O
|
|
| MCULE-2553518631 |
0.77 |
C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC=C21)O3
|
|
| MCULE-4749657700 |
0.77 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)(O)C=C)OC(=O)C
|
|
| MCULE-2702437708 |
0.77 |
C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-5937685751 |
0.77 |
[C@@]12([H])C[C@H]3C(C=C(C)[C@@]1([H])[C@H](C[C@@]2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-1322261917 |
0.77 |
C12(O)CC(C([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)OC(C)=O)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-3230983688 |
0.77 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)C(CC4(O)C3CCC2C1)OC(C)=O
|
|
| MCULE-4529551060 |
0.77 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-2917275236 |
0.77 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MolPort-002-521-459 |
0.77 |
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
|
|
| MolPort-002-512-831 |
0.77 |
CC(=O)OC1CC2(O)C3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]2(C)C1C1=CC(=O)OC1)OC(C)=O
|
|
| MolPort-005-909-750 |
0.77 |
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
|
|
| MolPort-005-945-407 |
0.76 |
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
|
|
| MolPort-029-943-072 |
0.76 |
C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
|
|
| MCULE-1550349961 |
0.76 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(O)CCOC(C)=O
|
|
| MCULE-8771172896 |
0.76 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-6426429596 |
0.76 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
|
|
| MCULE-5473746623 |
0.76 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)OC(C)=O
|
|
| MCULE-7413623623 |
0.76 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8641360664 |
0.76 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(O)CCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-3027567956 |
0.76 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-1546940698 |
0.76 |
C12CCC3(C)C(CCC3C1CC=C1CC(CCC21C)OC(=O)C)OC(=O)C
|
|
| MCULE-6330480709 |
0.76 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-2048707819 |
0.76 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MCULE-3117776619 |
0.76 |
C(C)(=O)OC1CCC2(C)C(C1)=CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-2069877830 |
0.76 |
C(C)(=O)OC1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
|
|
| MCULE-2754730792 |
0.76 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)=O
|
|
| MCULE-3254382141 |
0.76 |
C12(C)CCC(OC(C)=O)CC1=CCC1C2CCC2(C)C1CCC2=CC
|
|
| MCULE-2328694476 |
0.76 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MCULE-5953628396 |
0.76 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C)=O
|
|
| MCULE-3331989617 |
0.76 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-9193800742 |
0.76 |
C1CC(OC(C)=O)C=CCCC1
|
|
| MCULE-7757466005 |
0.76 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@@H]2[C@H](C)C=C[C@@H](CC)C(C)C
|
|
| MCULE-4346215084 |
0.76 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C)=O
|
|
| MCULE-3496812213 |
0.76 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(CC)C(C)C
|
|
| MCULE-2659782471 |
0.76 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-7999402217 |
0.76 |
[C@]12(C)CC[C@](CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)(C)OC(C)=O
|
|
| MCULE-7842753172 |
0.76 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)O
|
|
| MCULE-4320332467 |
0.76 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(C)C(C)C)CCC4C3CC=C2C1
|
|
| MCULE-1077978348 |
0.76 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)C(=O)O[C@@H]1CC[C@@]2(C(=CCC3C2CC[C@@]2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MolPort-046-697-193 |
0.76 |
CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
|
|
| MolPort-002-530-229 |
0.76 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-827-350 |
0.76 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-830-370 |
0.76 |
CC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-003-803-623 |
0.76 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)CCCC4C3CC=C2C1
|
|
| MolPort-003-891-594 |
0.76 |
CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
|
|
| MolPort-002-501-633 |
0.76 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-520-667 |
0.76 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-044-755-192 |
0.76 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-002-506-890 |
0.76 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-003-855-523 |
0.76 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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|
| MolPort-002-525-741 |
0.76 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@@H](O)CCC4[C@@H]3CC=C2C1
|
|
| MolPort-002-911-161 |
0.76 |
CC(=O)OC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-000-295-003 |
0.76 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-525-850 |
0.76 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-002-889-412 |
0.76 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-527-905 |
0.76 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-509-518 |
0.76 |
CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-006-069-320 |
0.76 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-006-116-362 |
0.76 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-002-841-870 |
0.76 |
CC(=O)OC1CCC2C3CC=C4C[C@](C)(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
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0.76 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
|
|
| MolPort-023-314-383 |
0.76 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](OC(C)=O)C4(C)C)[C@]3(C)CC[C@@]21C
|
|
| MolPort-046-766-245 |
0.76 |
CC(CO)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-528-190 |
0.76 |
CCCCCCCCC1CCC2C3CC=C4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)C(\C)=C(/C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-000-775-527 |
0.76 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)C3CC[C@@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-023-331-412 |
0.75 |
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@@H](O)C=C2C1
|
|
| MolPort-029-943-086 |
0.75 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-087 |
0.75 |
CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-088 |
0.75 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-039-338-617 |
0.75 |
CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-084 |
0.75 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-001-740-880 |
0.75 |
COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)C1C[C@@H](OC(C)=O)C1=C2CC[C@](C)(C=C)[C@@H]1OC(C)=O
|
|
| MolPort-039-139-007 |
0.75 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O2
|
|
| MCULE-8031207513 |
0.75 |
C12(C)CCC3C(CC=C4CC(OC(C)=O)CCC43C)C1CC=C2C1(C)OCCO1
|
|
| MCULE-4437204352 |
0.75 |
O(C(=O)C)[C@H]1[C@](C=C)(C)CCC2=C1[C@H](OC(=O)C)CC1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(OC)=O
|
|
| MCULE-1278548612 |
0.75 |
C12[C@H](OC(C)=O)C[C@@]3([C@](C)([C@H](CC[C@@]3(C)C(OC)=O)OC(C)=O)C=1CC[C@](C)(C=C)[C@@H]2OC(C)=O)[H]
|
|
| MCULE-1031631524 |
0.75 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-9998977190 |
0.75 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-6591915280 |
0.75 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)CC(C)CC)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1326219832 |
0.75 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MCULE-3579684120 |
0.75 |
O1CCOC21CCC1(C)C(C2OC(C)=O)=CCC2C1CCC1(C)C(C(C)CCCC(C)C)CCC12
|
|
| MolPort-020-005-698 |
0.74 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-001-827-199 |
0.74 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
|
|
| MolPort-007-549-368 |
0.74 |
CC12CC[C@H]3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
|
|
| MolPort-002-510-868 |
0.74 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-740-957 |
0.74 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
|
|
| MolPort-046-153-744 |
0.74 |
CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C
|
|
| MolPort-000-707-521 |
0.74 |
CC(C)\C=C1/CCCCC1OC(C)=O
|
|
| MolPort-002-513-643 |
0.74 |
CC(=O)OC1CCC2C(=CCC3[C@@]2(C)CC[C@@]2(C)C4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C
|
|
| MCULE-1566350070 |
0.74 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-7803701147 |
0.74 |
C1C2C3C4C(=O)OC(C=CC23)C4C=1
|
|
| MCULE-8590167000 |
0.74 |
C1(O)CCC2(C)C3CCC4(C)C(C5COC(=O)C=5)C(O)CC4(O)C3CCC2C1
|
|
| MCULE-7353523388 |
0.74 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)O
|
|
| MCULE-3998827933 |
0.74 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-9450414421 |
0.74 |
C1(CCCCC1OC(C)=O)=CC(C)C
|
|
| MCULE-2337967762 |
0.74 |
[C@]12(C)CCC3C(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(C)OC(C)=O
|
|
| MCULE-7772391429 |
0.74 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-9966949324 |
0.74 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-1374093397 |
0.74 |
C1=CC2CC1C1C(COC(=O)C)=CC12
|
|
| MCULE-7388224086 |
0.74 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-8277570953 |
0.74 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-1853650577 |
0.74 |
C12(C)CC[C@@]3(C(CC=C4C[C@@]([H])(CCC34C)OC(C(C)C)=O)[C@@]1([H])CCC2C(C)CCCC(C)C)[H]
|
|
| MCULE-3755877935 |
0.74 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2241145060 |
0.74 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-8698149631 |
0.74 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)OC(CC)=O
|
|
| MCULE-4480469003 |
0.74 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CC)CC1=CC2)[H]
|
|
| MolPort-002-525-199 |
0.74 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MolPort-002-527-934 |
0.74 |
CC(OC(C)=O)[C@]1(CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-046-597-757 |
0.74 |
CC(OC(C)=O)[C@]1(CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-046-158-543 |
0.74 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MolPort-035-706-205 |
0.74 |
CC(C)[C@H]1[C@H]2C=C(C)[C@H](C[C@H]2[C@H](C)CC1=O)OC(C)=O
|
|
| MolPort-001-742-576 |
0.74 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
|
|
| MolPort-002-510-720 |
0.74 |
CCC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-003-855-481 |
0.74 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC
|
|
| MolPort-002-826-614 |
0.74 |
CC(C)CCCC(C)C1CC[C@@H]2C3CC=C4C[C@@H](CCC4(C)[C@@H]3CCC12C)OC(=O)C(C)C
|
|
| MolPort-003-987-065 |
0.74 |
CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-295-000 |
0.74 |
CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-510-337 |
0.74 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-046-763-325 |
0.73 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CC3=O
|
|
| MolPort-019-936-929 |
0.73 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
|
|
| MolPort-035-706-215 |
0.73 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-005-945-167 |
0.73 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
|
|
| MolPort-046-682-815 |
0.73 |
C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
|
|
| MolPort-046-158-474 |
0.73 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
|
|
| MolPort-021-804-824 |
0.73 |
C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
|
|
| MolPort-039-338-614 |
0.73 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
|
|
| MolPort-035-705-909 |
0.73 |
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C
|
|
| MolPort-044-755-237 |
0.73 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(C)C[C@H](CCC4=C3CC[C@]12C)OC(C)=O
|
|
| MCULE-7317277088 |
0.73 |
[C@@]12(OC(=O)C)CO[C@]1([H])C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)[C@@H](OC(=O)C)C[C@@](O)(C3(C)C)C[C@]21[H]
|
|
| MCULE-1194643306 |
0.73 |
O1C(C2C=CCC3C2C1C=CC3O)=O
|
|
| MCULE-3995023146 |
0.73 |
[C@@]12(OC(=O)C)CO[C@]1([H])C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)[C@@H](OC(=O)C)C[C@@](O)(C3(C)C)C[C@]21[H]
|
|
| MCULE-1028193763 |
0.73 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-1459395786 |
0.73 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-3521793580 |
0.73 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-1316729655 |
0.73 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-1159348886 |
0.73 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-6193394453 |
0.73 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(COC(=O)C)C1
|
|
| MCULE-9703213540 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C=CCC4C3CC=C2C1
|
|
| MCULE-1819290201 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-1216188840 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MCULE-1338496475 |
0.73 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-6504048226 |
0.73 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-4523943869 |
0.73 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-2130027368 |
0.73 |
C1(CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-3365689266 |
0.73 |
C1(CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-7441378184 |
0.73 |
C1(CC[C@@]2([H])[C@]3([C@]([H])(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H])=C(C#N)C(OCC)=O
|
|
| MCULE-7796031571 |
0.73 |
C1(CCCCC1C1CCCCC=1)OC(C)=O
|
|
| MCULE-3501875786 |
0.73 |
[C@@H]12[C@@H](CC[C@]3(C)[C@@H](C=CC(=C)C31)OC(=O)C(C)=CC)[C@H](C(=O)O2)C
|
|
| MolPort-029-999-415 |
0.73 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MolPort-035-706-238 |
0.73 |
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-509-690 |
0.73 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CCC2=C1
|
|
| MolPort-019-937-562 |
0.73 |
CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
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|
| MolPort-046-153-175 |
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COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
|
|
| MolPort-000-834-002 |
0.73 |
CCOC(=O)C(\C#N)=C1\CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-507-135 |
0.73 |
CCOC(=O)C(\C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-520-429 |
0.73 |
CCOC(=O)C(\C#N)=C1/CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-030-040-914 |
0.73 |
CCOC(=O)C(\C#N)=C1/CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-021-804-541 |
0.73 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
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|
| MolPort-001-921-995 |
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CC(=O)OC1CCCCC1C1=CCCCC1
|
|
| MolPort-046-764-836 |
0.73 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-761-616 |
0.73 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C2=C[C@H](O)[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-000-770-776 |
0.73 |
C\C=C(/C)C(=O)O[C@@H]1C=CC(=C)C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C
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|
| MolPort-002-528-225 |
0.72 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC
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|
| MolPort-002-509-166 |
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C1CCC2(C1)OC1CCCCC1C1=C2CCCC1
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|
| MolPort-003-892-826 |
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CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-003-855-482 |
0.72 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC
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|
| MolPort-001-928-668 |
0.72 |
CCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-039-052-421 |
0.72 |
CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)=C
|
|
| MolPort-035-705-926 |
0.72 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12
|
|
| MolPort-006-668-351 |
0.72 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-006-113-345 |
0.72 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-003-892-829 |
0.72 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(O)=O
|
|
| MolPort-029-943-089 |
0.72 |
CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](CC(C)=C1[C@H](C)CCCO)OC(=O)[C@]21C[C@]23C(OC(C)=O)[C@@H]1C(C)=C2C[C@@H]1[C@@H](C[C@H]3C)OC(=O)C1=C
|
|
| MolPort-042-923-465 |
0.72 |
CC(=C)C(=O)OC1CC2CC1C=C2
|
|
| MolPort-039-338-370 |
0.72 |
CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
|
|
| MolPort-035-769-972 |
0.72 |
CC(=O)OC1C[C@@H]2C[C@H]1C=C2
|
|
| MolPort-001-762-698 |
0.72 |
CC(=O)OC1CC2CC1C=C2
|
|
| MCULE-2391054675 |
0.72 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9929087674 |
0.72 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-3393292584 |
0.72 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC(=O)C
|
|
| MCULE-4823161367 |
0.72 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-6762964573 |
0.72 |
C(CC(C)C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-9280847330 |
0.72 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-1871622668 |
0.72 |
CC(=C)C(=O)OC1CC2CC1C=C2
|
|
| MCULE-2597929771 |
0.72 |
O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)C(C)=O
|
|
| MCULE-5079538770 |
0.72 |
C1CC2(C)C3([H])CCC4(C)C([H])(C(CCCC(C)C)C)CCC4([H])C3([H])CC=C2CC1OC(CCC(=O)OCC)=O
|
|
| MCULE-5546761279 |
0.72 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)(OC)=O
|
|
| MCULE-8345937454 |
0.72 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-9872247716 |
0.72 |
C1(CC2CC1C=C2)OC(C)=O
|
|
| MCULE-4665107833 |
0.72 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1(O)C3CCC(C(C)CCC(C)C(C)C)C3(C)CC=C21
|
|
| MCULE-3762294950 |
0.72 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7505841337 |
0.72 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MCULE-5447946707 |
0.72 |
C(C)(=O)OC1CCC2(C)C3C(C4CC5C(C(C)C6(CCC(C)(CO6)[H])O5)C4(C)C(C=3)OC(C)=O)CCC2(C1)[H]
|
|
| MCULE-9072555005 |
0.72 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-8432569167 |
0.72 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MolPort-009-649-073 |
0.72 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C(/C)Cl
|
|
| MolPort-042-646-607 |
0.72 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C(/C)Cl
|
|
| MolPort-046-761-036 |
0.72 |
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-101-233 |
0.72 |
C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-234 |
0.72 |
C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-002-686-234 |
0.71 |
C[C@@H]1CC2C3CC=C4CCCC(OC(C)=O)C4(C)C3CCC2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-763-326 |
0.71 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-046-790-373 |
0.71 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-000-691-651 |
0.71 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-528-770 |
0.71 |
CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-046-158-407 |
0.71 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-023-221-501 |
0.71 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-730-176 |
0.71 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-044-755-262 |
0.71 |
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-529-651 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(O)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-507-454 |
0.71 |
C[C@@H]1CC2[C@@H]3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-798-252 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-004-964-842 |
0.71 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-002-510-721 |
0.71 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCC
|
|
| MolPort-002-810-909 |
0.71 |
CC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-527-697 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-003-855-522 |
0.71 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)CC
|
|
| MolPort-002-529-366 |
0.71 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)CC
|
|
| MolPort-000-838-146 |
0.71 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-515-746 |
0.71 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(=O)CC)OC(C)=O
|
|
| MolPort-000-835-607 |
0.71 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-003-855-529 |
0.71 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCC
|
|
| MolPort-002-524-141 |
0.71 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-524-244 |
0.71 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-158-100 |
0.71 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-046-597-310 |
0.71 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-001-785-924 |
0.71 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-046-596-384 |
0.71 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-501-678 |
0.71 |
CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-744-261 |
0.71 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-000-738-028 |
0.71 |
C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-000-736-396 |
0.71 |
C1CCC2(C1)OC1CCCCC1C1=CCCCC21.C1CCC2(C1)OC1CCCCC1=C1CCCCC21
|
|
| MolPort-046-596-311 |
0.71 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-002-506-933 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-506-956 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-042-646-618 |
0.71 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-042-646-617 |
0.71 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-510-678 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-810-910 |
0.71 |
CCC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-001-535-946 |
0.71 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
|
|
| MolPort-001-742-285 |
0.71 |
CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
|
|
| MolPort-046-688-689 |
0.71 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-755-199 |
0.71 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-340 |
0.71 |
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-046-158-516 |
0.71 |
C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-029-943-098 |
0.71 |
CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
|
|
| MolPort-005-944-934 |
0.71 |
CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
|
|
| MolPort-029-943-083 |
0.71 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-044-754-102 |
0.71 |
CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-001-740-438 |
0.71 |
C\C1=C/CCC2=CC(C\C(C)=C\C3OC(=O)C(=C)C3CC1)OC2=O
|
|
| MolPort-046-790-483 |
0.71 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-003-941-317 |
0.71 |
CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
|
|
| MolPort-046-761-522 |
0.71 |
CC(=O)OC1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
|
|
| MolPort-039-142-117 |
0.71 |
CC(=O)OC1CCC2C3CCC4(C)C(CCC4(OC(C)=O)C#C)C3CCC2=C1
|
|
| MCULE-4605464077 |
0.71 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
|
|
| MCULE-2803933654 |
0.71 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-8712822346 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-1105300545 |
0.71 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-5701442831 |
0.71 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-9076166215 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-9028214804 |
0.71 |
[C@@H]1(OC(C)=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC=2
|
|
| MCULE-6215028771 |
0.71 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCC)CC1=CC2)[H]
|
|
| MCULE-9728792876 |
0.71 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-7088876584 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-4910370058 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
|
|
| MCULE-7379708485 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
| MCULE-6440147345 |
0.71 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-9886067523 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](CC)[C@@H]2C(C)=O)[H]
|
|
| MCULE-1074800625 |
0.71 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
|
|
| MCULE-8183627372 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-5145383615 |
0.71 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-7993538244 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-6652384834 |
0.71 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-5237548292 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CC=C2C1
|
|
| MCULE-3880817234 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-9491535728 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-4121090747 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-6563972685 |
0.71 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-2274449987 |
0.71 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-6118345848 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-2565904577 |
0.71 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-4068140047 |
0.71 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-3093682807 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-9533823250 |
0.71 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-9395429387 |
0.71 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-5470759504 |
0.71 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
|
|
| MCULE-4601889192 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)OC(C)=O
|
|
| MCULE-5177446419 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-7557744061 |
0.71 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
|
|
| MCULE-7864191553 |
0.71 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-1414577822 |
0.71 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
|
|
| MCULE-4115143726 |
0.71 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-1037468745 |
0.71 |
C1CC(C)(C)[C@@]2([H])[C@@](C)([C@@](CO)(C(=C[C@H]2OC(/C=C/C=C/C)=O)CO)O)C1
|
|
| MCULE-2203626367 |
0.71 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-8302542414 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H]
|
|
| MCULE-8639038057 |
0.71 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3([H])CC[C@H](OC(=O)C)C=4)([H])[C@]1([H])CC[C@@]2(OC(=O)C)C#C
|
|
| MCULE-2778816204 |
0.71 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(C)[C@@](C#C)(OC(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=C[C@H]1OC(=O)C
|
|
| MCULE-1255015250 |
0.71 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
|
|
| MCULE-3919630131 |
0.71 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CC(O)C1C2CCC2CC(O)CCC21C
|
|
| MCULE-7151123890 |
0.71 |
C1(COC(C)=O)=C(C)CCC1C(C)=C
|
|
| MCULE-2930807712 |
0.71 |
C1[C@H](OC(=O)C)C(C)=C[C@@]2([H])OC(=O)C([C@]2([H])[C@H](OC(/C(/C)=C/CO)=O)CC(COC(=O)C)=C1)=C
|
|
| MCULE-8569314397 |
0.71 |
O=C(C(=CCO)C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-3799754175 |
0.71 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1=O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-5527954946 |
0.71 |
O=C(/C(=C/CO)/C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-3094170088 |
0.71 |
O=C1C=C[C@@H](O)[C@@]2([H])[C@](C[C@@H](C2)O)([H])C=CCCC[C@H](C)O1
|
|
| MCULE-1898871437 |
0.71 |
C12CC(CC1C=CCCCC(C)OC(=O)C=CC2O)O
|
|
| MCULE-7768079101 |
0.71 |
O1[C@H](C)CCCC=C[C@@]2([H])C[C@@H](O)C[C@]2([H])[C@H](C=CC1=O)O
|
|
| MCULE-4388066404 |
0.71 |
C1[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]12[H]
|
|
| MCULE-1228200157 |
0.71 |
C1[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]2([H])C[C@@H]1O
|
|
| MCULE-9817372120 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
|
|
| MCULE-7045262498 |
0.71 |
C1CC=C[C@]2([H])C[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)C1
|
|
| MCULE-4827454681 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
|
|
| MCULE-7177658171 |
0.71 |
C1(C(C)(C)CCCC=1C)C(OCC)CC(C)=CCO
|
|
| MCULE-1868424196 |
0.71 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MolPort-039-338-125 |
0.71 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-111-466 |
0.71 |
CC(=O)OCC1=C(C)CCC1C(C)=C
|
|
| MolPort-039-339-218 |
0.71 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-039-339-219 |
0.71 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-005-944-538 |
0.71 |
CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-004-955-162 |
0.71 |
C[C@H]1CCC\C=C\C2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-761-891 |
0.71 |
C[C@H]1CCC\C=C/[C@@H]2C[C@H](O)C[C@@H]2C(O)\C=C\C(=O)O1
|
|
| MolPort-046-701-388 |
0.71 |
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1
|
|
| MolPort-003-845-305 |
0.71 |
C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-001-739-555 |
0.71 |
C[C@@H]1CCC\C=C\[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-039-338-173 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-044-723-187 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-044-723-188 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-000-755-831 |
0.71 |
CC(=O)OC[C@@]1(C)CC(OC(C)=O)[C@]2(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2C1
|
|
| MolPort-046-590-297 |
0.71 |
C[C@H]1CCC\C=C/C2C[C@H](O)C[C@H]2[C@H](O)\C=C/C(=O)O1
|
|
| MolPort-002-227-778 |
0.71 |
CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1
|
|
| MolPort-001-740-719 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-002-215-588 |
0.71 |
CCOC(C\C(C)=C\CO)C1=C(C)CCCC1(C)C
|
|
| MolPort-046-067-633 |
0.71 |
C\C=C\C1OCC2(COC(C)=O)C(C)C=C(C)C1[C@@H]2C
|
|
| MolPort-046-627-212 |
0.70 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-000-294-998 |
0.70 |
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-000-778-228 |
0.70 |
CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-016-578-938 |
0.70 |
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-007-980-856 |
0.70 |
C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O)OC(C)=O
|
|
| MolPort-002-530-141 |
0.70 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-002-528-527 |
0.70 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCC
|
|
| MolPort-001-793-906 |
0.70 |
CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-003-721-672 |
0.70 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
|
|
| MolPort-002-530-234 |
0.70 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C1CCCC1
|
|
| MolPort-003-710-687 |
0.70 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-002-530-244 |
0.70 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCC
|
|
| MolPort-046-596-340 |
0.70 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
|
|
| MolPort-003-388-177 |
0.70 |
CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-000-790-894 |
0.70 |
CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-810-756 |
0.70 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-002-911-094 |
0.70 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)OC4CC5CCC4C5)C3CC=C2C1
|
|
| MolPort-027-847-790 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCCC
|
|
| MolPort-002-526-154 |
0.70 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
|
|
| MolPort-046-594-655 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-008-346-684 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C12CC3C[C@@H](CC(C3)C1)C2
|
|
| MolPort-003-855-484 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCC
|
|
| MolPort-003-855-514 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
|
|
| MolPort-002-528-936 |
0.70 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-000-795-108 |
0.70 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-855-540 |
0.70 |
CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-855-532 |
0.70 |
CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-855-530 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCC
|
|
| MolPort-000-836-412 |
0.70 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
|
|
| MolPort-002-529-036 |
0.70 |
CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-003-855-519 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCCC
|
|
| MolPort-046-594-654 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-001-593-439 |
0.70 |
CCCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-003-855-505 |
0.70 |
CCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-855-503 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC1CCCCC1
|
|
| MolPort-003-855-497 |
0.70 |
CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-855-492 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCC
|
|
| MolPort-002-529-701 |
0.70 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCC
|
|
| MolPort-002-501-655 |
0.70 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-035-706-294 |
0.70 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MolPort-000-294-992 |
0.70 |
CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-501-638 |
0.70 |
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-501-637 |
0.70 |
CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-501-660 |
0.70 |
CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-758-136 |
0.70 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-000-767-609 |
0.70 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-319-532 |
0.70 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
|
|
| MolPort-002-501-639 |
0.70 |
CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-295-002 |
0.70 |
CCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-502-001 |
0.70 |
CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-003-940-763 |
0.70 |
CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-295-010 |
0.70 |
CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-006-069-075 |
0.70 |
CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-510-031 |
0.70 |
CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-510-156 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC1CCCCC1
|
|
| MolPort-002-507-129 |
0.70 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-003-940-792 |
0.70 |
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-042-646-612 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-003-893-546 |
0.70 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-003-855-546 |
0.70 |
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-006-124-217 |
0.70 |
CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-003-928-863 |
0.70 |
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-511-119 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCC
|
|
| MolPort-000-295-004 |
0.70 |
CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-003-893-547 |
0.70 |
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-023-221-547 |
0.70 |
CC12CCCC=C1C(=O)OC2=O
|
|
| MolPort-046-676-753 |
0.70 |
O=C1OC(=O)C2=CCCCC12
|
|
| MolPort-005-944-833 |
0.70 |
CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-001-742-169 |
0.70 |
CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-001-742-439 |
0.70 |
C\C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C
|
|
| MolPort-044-545-969 |
0.70 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
|
|
| MolPort-002-511-603 |
0.70 |
C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
|
|
| MolPort-002-568-054 |
0.70 |
CC(=O)OCCC1=CCC2CC1C2(C)C
|
|
| MolPort-005-944-608 |
0.70 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
|
|
| MolPort-006-391-771 |
0.70 |
COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
|
|
| MolPort-002-911-074 |
0.70 |
CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
|
|
| MolPort-009-649-142 |
0.70 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)Cl
|
|
| MolPort-039-338-309 |
0.70 |
CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-338-296 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-007-549-283 |
0.70 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C(\C)Cl
|
|
| MolPort-000-742-883 |
0.70 |
C1CCC2(CC1)OC1CCCCC1=C1CCCCC21.C1CCC2(CC1)OC1CCCCC1C1=CCCCC21
|
|
| MolPort-046-597-601 |
0.70 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)Cl
|
|
| MolPort-005-945-451 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-042-646-609 |
0.70 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(\C)Cl
|
|
| MolPort-039-338-615 |
0.70 |
C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-005-944-536 |
0.70 |
CCCCCC(=O)OC1C=C2COC(O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-001-742-567 |
0.70 |
CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-716 |
0.70 |
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-707 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-046-762-539 |
0.70 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC=C4[C@@H]3CC=C2C1
|
|
| MolPort-046-764-837 |
0.70 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-001-742-454 |
0.70 |
CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
|
|
| MCULE-1257490890 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-1900297968 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-7973895970 |
0.70 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-3263354032 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1587965499 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-7000169771 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-4487426289 |
0.70 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-5520472136 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(O)C(C)=O
|
|
| MCULE-1588785943 |
0.70 |
CCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-1091492885 |
0.70 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-6594306024 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2887956476 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(C)=O
|
|
| MCULE-7572819806 |
0.70 |
CCCCCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-8977795489 |
0.70 |
CCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-7300055150 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-1675088199 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9783163200 |
0.70 |
[Na+].C1CC2(C)C3CCC4(C)C(C([O-])=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-9770266464 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3568637165 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2730494737 |
0.70 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-3951215552 |
0.70 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-3632686303 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-9987906336 |
0.70 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-1526124264 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-3362097880 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-6929994718 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-8816644358 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-7560687727 |
0.70 |
[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-7271710617 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-3582226231 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-7699673107 |
0.70 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-2185195019 |
0.70 |
[C@@H]1(OC(C)=O)[C@@H](C(C)C)[C@@H](OC(=O)/C(/C)=C/C)C=C(CO)C1=O
|
|
| MCULE-3035603698 |
0.70 |
C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
|
|
| MCULE-5045812758 |
0.70 |
C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
|
|
| MCULE-5176587980 |
0.70 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-5067610229 |
0.70 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-1991391695 |
0.70 |
C12C(CCOC(C)=O)=CCC(C1(C)C)C2
|
|
| MCULE-4824360118 |
0.70 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MCULE-5187157844 |
0.70 |
C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
|
|
| MCULE-8995686119 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2969817322 |
0.70 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-2804901759 |
0.70 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-1234424378 |
0.70 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-7379430730 |
0.70 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-9380832184 |
0.70 |
C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
|
|
| MCULE-8726454334 |
0.70 |
[C@@]12(C)[C@@H](O)CC=C(C)[C@@]1([H])[C@H]1[C@H](C(C(=O)O1)=C)[C@H](O)C2
|
|
| MCULE-2782751278 |
0.70 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C(C)=C(C)Cl)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-1909780355 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)Cl
|
|
| MCULE-1111304263 |
0.70 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-9208930385 |
0.70 |
C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
|
|
| MCULE-4273868412 |
0.70 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-2222797068 |
0.70 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]4(O)[C@]3(O)CC=C2C[C@H]1O
|
|
| MCULE-2724365529 |
0.70 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-7326161622 |
0.70 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
|
|
| MCULE-7665525246 |
0.70 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-3037222806 |
0.70 |
C1=C(C(=O)O)C[C@@H](OC(=O)/C(=C\C)/C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-2089176275 |
0.70 |
C1C=C(C[C@H](OC(=O)C(CO)=C)[C@@H]2[C@H](OC(=O)C2=C)C=C(CO)C1)C
|
|
| MCULE-3709898565 |
0.70 |
C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-4668660484 |
0.70 |
C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C
|
|
| MCULE-1305866944 |
0.70 |
O1C2C(C3CCCC=3C1=O)CCCC2
|
|
| MCULE-8954390569 |
0.70 |
C=C1C(=O)OC[C@]2(CCC[C@@]3(C[C@@H](O)[C@@H]1C=C23)C)[H]
|
|
| MCULE-1659372694 |
0.70 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@H](O)C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)O)CC/C=C(/C)\C)O
|
|
| MCULE-8921610933 |
0.70 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])/C(/[C@@H](OC(=O)C)C[C@]21C)=C(/C(=O)O)\CC/C=C(/C)\C)O)O
|
|
| MCULE-4654267035 |
0.70 |
C12(C)CC(C(=C(CC/C=C(\C)/C)C(O)=O)C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-7364536785 |
0.70 |
C(/C(=C/C)/C)(O[C@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C)=O
|
|
| MCULE-6663461828 |
0.70 |
C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-9783531925 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-6581533408 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-6654749941 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-9767686096 |
0.70 |
C[C@]12CC[C@H](OC(=O)CCCCCCCCCCCCC)CC1=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-2831209997 |
0.70 |
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)CCCCCC)CC[C@]21C)=O
|
|
| MCULE-8057071681 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-9543309945 |
0.70 |
C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
|
|
| MCULE-6785867509 |
0.70 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCCC)CC1=CC2)[H]
|
|
| MCULE-2983937435 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@H](O)[C@]2([H])C(C)=O)[H]
|
|
| MCULE-5476020058 |
0.70 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-8572432727 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-8252955604 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-4894890520 |
0.70 |
C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
|
|
| MCULE-5475024726 |
0.70 |
[C@@H]1(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC=2
|
|
| MCULE-9956647861 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-6943417160 |
0.70 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-1361205448 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-4759733755 |
0.70 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(O)C(C)=O
|
|
| MCULE-8608886418 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-5451000624 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-4139907319 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-3557825189 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3569475442 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8461996452 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1928835025 |
0.70 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4593875674 |
0.70 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-1286036245 |
0.70 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC)CC1=CC2)[H]
|
|
| MCULE-7277178316 |
0.70 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-4311810496 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-2808257085 |
0.70 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-7551134886 |
0.70 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-4016604549 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-7520151391 |
0.70 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-5268900721 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-7313126879 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-5265419450 |
0.70 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-6883610361 |
0.70 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MolPort-039-052-399 |
0.70 |
CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
|
|
| MolPort-046-153-174 |
0.70 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
| MolPort-042-675-367 |
0.70 |
C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-001-741-296 |
0.70 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
|
|
| MolPort-039-052-392 |
0.70 |
C\C(=C/CO)C(=O)O[C@H]1C\C(C)=C/C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-762-523 |
0.70 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-039-052-722 |
0.70 |
C\C=C(\C)C(=O)O[C@@H]1C\C(=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O
|
|
| MolPort-046-762-563 |
0.70 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-044-723-717 |
0.70 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C(O)=O
|
|
| MolPort-046-764-551 |
0.70 |
[2H]C([2H])([2H])C(=CCC\C(C(O)=O)=C1/[C@H](C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@]21C)OC(C)=O)C([2H])([2H])[2H]
|
|
| MolPort-002-964-476 |
0.70 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-038-942-576 |
0.70 |
C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@@H]2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
|
|
| MolPort-039-338-801 |
0.70 |
CC([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C1CC=C(C)C(=O)O1
|
|
| MolPort-006-117-806 |
0.70 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
|
|
| MolPort-046-792-816 |
0.70 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC(O)C(C)(C)O)C(O)=O
|
|
| MolPort-001-934-122 |
0.70 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-005-945-302 |
0.70 |
C\C=C(/C)C(=O)O[C@@H]1[C@@H](C(C)C)[C@@H](OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-002-524-753 |
0.69 |
C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-596-961 |
0.69 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC[C@]2(C)[C@@H](CCC32O)C2=CC(=O)OC2)C1
|
|
| MolPort-002-507-145 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)C#N
|
|
| MolPort-002-893-940 |
0.69 |
CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-030-042-311 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C#N
|
|
| MolPort-035-705-907 |
0.69 |
C[C@@H]1C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
|
|
| MolPort-027-640-913 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-000-847-946 |
0.69 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-510-630 |
0.69 |
CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)C#N
|
|
| MolPort-007-549-413 |
0.69 |
CC12CC[C@H]3[C@@H](CCC4CC(O)CCC34C)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-028-854-624 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-513-646 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-006-111-351 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-044-562-012 |
0.69 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-001-740-819 |
0.69 |
C[C@@H]1C[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
|
|
| MolPort-001-836-303 |
0.69 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
|
|
| MolPort-027-935-414 |
0.69 |
CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-001-742-676 |
0.69 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| MolPort-046-701-494 |
0.69 |
CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-044-561-229 |
0.69 |
C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-009-758-696 |
0.69 |
C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-790-345 |
0.69 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
|
|
| MolPort-016-633-200 |
0.69 |
CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-524-221 |
0.69 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-005-944-726 |
0.69 |
CC(C)=CCCC(COC(C)=O)=CCCC(CO)=CCCC(C)=CCO
|
|
| MolPort-046-762-840 |
0.69 |
CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-046-689-240 |
0.69 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-046-689-254 |
0.69 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MCULE-5690818300 |
0.69 |
OC12CCC(C3=CC(=O)OC3)C1(CCC1([H])C3(CCCCC3([H])CCC21[H])C)C
|
|
| MCULE-1542720935 |
0.69 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(O)C2)C1COC(=O)C=1
|
|
| MCULE-2541512222 |
0.69 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-7555892876 |
0.69 |
O=C1OCC([C@@H]2[C@]3(C)[C@]([C@]4([C@@](CC3)([H])[C@]3(C)[C@](C[C@H](CC3)O)([H])CC4)[H])(O)CC2)=C1
|
|
| MCULE-9210235948 |
0.69 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
|
|
| MCULE-1153848413 |
0.69 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-9035965650 |
0.69 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-6532690267 |
0.69 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2C#N)C)OC(C)=O
|
|
| MCULE-8236546660 |
0.69 |
O(C(=O)C)[C@@H]1C[C@@H](C)[C@@](O)([C@@]2(C1C(C)(C)CCC2)C)CCC1COC(=O)C=1
|
|
| MCULE-4238584773 |
0.69 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2C#N)C)OC(C)=O
|
|
| MCULE-7391544076 |
0.69 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-6340794511 |
0.69 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)OC(C)=O)[H])C1COC(=O)C=1
|
|
| MCULE-9952768892 |
0.69 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| MCULE-3752800864 |
0.69 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-2058016705 |
0.69 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-1950814728 |
0.69 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-9301632354 |
0.69 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-9373742271 |
0.69 |
O(CC(=CCCC(CO)=CCCC(C)=CCO)CC/C=C(\C)/C)C(=O)C
|
|
| MCULE-3530343693 |
0.69 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21
|
|
| MCULE-6232978473 |
0.69 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-8617095272 |
0.69 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-6126592730 |
0.69 |
O1C2C31C(C)(CCC(O)C3)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=C2)[H]
|
|
| MCULE-7618445658 |
0.69 |
C1C=C(C)C[C@H]([C@H]2C(=C)C(O[C@@H]2C=C(C)[C@H]1OC(=O)C)=O)OC(=O)/C(/CO)=C/CO
|
|
| MCULE-7181833804 |
0.69 |
C1C=C(C[C@@H]([C@@H]2[C@H](OC(C2=C)=O)C=C(CO)C1)OC(=O)C(=C)C(CO)O)C
|
|
| MCULE-2286713902 |
0.69 |
C1C(OC(C)=O)C2(C(CC3C(OC(=O)C=3C)C2)C(=C)C1)C
|
|
| MCULE-6308988715 |
0.69 |
[C@@H]1(OC(=O)/C(/C)=C/CO)[C@H]([C@H](C=C(C1=O)CO)OC(=O)/C(/C)=C\C)C(C)C
|
|
| MCULE-9055590032 |
0.69 |
[Na+].[C@]12(C)C[C@@H](C(=C(CC/C=C(/C)\C)C(=O)[O-])[C@]1([H])C[C@H]([C@]1([H])[C@]2(C)CC[C@@]2([C@]1(C)CC[C@@H](O)[C@H]2C)[H])O)OC(C)=O
|
|
| MCULE-9599862192 |
0.69 |
[Na+].C12(C)CC(C(=C(CC/C=C(/C)\C)C(=O)[O-])C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-5014476622 |
0.69 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-8381855401 |
0.69 |
O[C@@H]1C[C@H]2/C(/[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]3[C@H](C)[C@H](O)CC[C@]3(C)[C@H]12)OC(C)=O)=C(/C([O-])=O)\CC/C=C(/C)\C.[Na+]
|
|
| MCULE-6831179748 |
0.69 |
[Na+].[C@]12(C)CC[C@@]3([H])[C@H](C)[C@H](O)CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)[O-])CC/C=C(/C)\C)O
|
|
| MCULE-9182352754 |
0.69 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-2562455528 |
0.69 |
C1(O)CC2C(C)(CCC3=CC(=O)OC3O)C(C)CCC32COC(=O)C3=C1
|
|
| MolPort-001-742-458 |
0.69 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-001-742-457 |
0.69 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-039-338-481 |
0.69 |
CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@H]2OC1=O
|
|
| MolPort-005-945-282 |
0.69 |
CC(=O)OC\C(CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-001-742-445 |
0.69 |
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-046-158-459 |
0.69 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO
|
|
| MolPort-001-740-199 |
0.69 |
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-008-346-699 |
0.69 |
C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-001-740-742 |
0.69 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
|
|
| MolPort-044-183-328 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC\C=C/C[C@H]12
|
|
| MolPort-029-942-969 |
0.69 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3CC12C
|
|
| MolPort-001-742-581 |
0.69 |
C\C=C(\C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C(\C)=C\CO)[C@H]1C(C)C
|
|
| MolPort-002-524-580 |
0.69 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-000-707-568 |
0.69 |
[Na+].C[C@@H]1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-046-762-702 |
0.69 |
C[C@@H]1[C@H]2CC[C@]3(C)[C@@H]([C@@H](O)C[C@@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-003-938-775 |
0.69 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-044-723-790 |
0.69 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C([O-])=O
|
|
| MolPort-002-526-910 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-023-333-208 |
0.69 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)C2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-046-690-262 |
0.69 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H]([C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-046-697-346 |
0.69 |
CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
|
|
| MolPort-021-804-692 |
0.69 |
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-002-526-653 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-529-441 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
|
|
| MolPort-002-529-258 |
0.69 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)C#N)[C@@H]3CC=C2C1
|
|
| MolPort-002-139-577 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-030-042-312 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C#N)C3CC=C2C1
|
|
| MolPort-003-724-684 |
0.69 |
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-507-211 |
0.69 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CCC3C[C@@H](O)CC[C@]3(C)C1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-000-712-243 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC[C@@]4(O)C#N)C3CC=C2C1
|
|
| MolPort-000-826-231 |
0.69 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]4(O)C#N)C3CC=C2C1
|
|
| MolPort-002-507-148 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#N)[C@@H]3CC=C2C1
|
|
| MolPort-001-569-829 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
|
|
| MolPort-002-510-278 |
0.69 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#N)C3CC=C2C1
|
|
| MolPort-007-549-369 |
0.69 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-035-946-557 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
|
|
| MolPort-004-955-165 |
0.69 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-007-549-410 |
0.69 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-509-108 |
0.69 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-000-692-409 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
|
|
| MolPort-002-508-597 |
0.69 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)OC1=O
|
|
| MolPort-002-507-406 |
0.69 |
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-039-338-147 |
0.69 |
C[C@]12CC[C@@H]3[C@@]4(C)CC[C@H](O)C[C@H]4CC[C@@]3(O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-508-311 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-003-666-004 |
0.69 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1CC2O)C1=CC(=O)OC1
|
|
| MolPort-002-509-633 |
0.69 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-002-509-437 |
0.68 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(Cl)C4C(C)=O)C3CC=C2C1
|
|
| MolPort-039-338-433 |
0.68 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=CCOC1=O
|
|
| MolPort-039-337-161 |
0.68 |
CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-527-463 |
0.68 |
C[C@H]1[C@@H]2CC[C@](C)(O)C3[C@H]4[C@H]5[C@H](O)[C@@]6(C)O[C@@]7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)C57
|
|
| MolPort-001-739-764 |
0.68 |
CC1(C)C(O)CCC2(C)C1C(O)C=C1COC(=O)C21O
|
|
| MolPort-009-649-408 |
0.68 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-005-944-113 |
0.68 |
CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-046-596-377 |
0.68 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-001-739-435 |
0.68 |
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-019-937-184 |
0.68 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-937-555 |
0.68 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-002-511-686 |
0.68 |
CC(=O)OCCCCC1OC2CCCC[C@H]2C2=CCCCC12
|
|
| MolPort-019-937-557 |
0.68 |
CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-044-755-195 |
0.68 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=C2C1
|
|
| MolPort-002-510-804 |
0.68 |
C=CC1OC2CCCCC2C2=C1CCCC2
|
|
| MolPort-044-755-228 |
0.68 |
CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@]2(C)C1
|
|
| MCULE-5993142660 |
0.68 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(O)CC1C3(C(CC(CC3)O)CCC12)C
|
|
| MCULE-2487519401 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C(CCC4C=3C(C3C=C4CC(OC(=O)C)CCC4(C)C4CCC5(C)C(C(C)C=CC(C)C(C)C)CCC5C3=4)C=C2C1)C(C)C=CC(C)C(C)C)C
|
|
| MCULE-4697381379 |
0.68 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-3687395332 |
0.68 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCC(=O)OC3CCC4(C(=CCC5C4CCC4(C5CCC4C(C)CCCC(C)C)C)C3)C)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4359391178 |
0.68 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-7243993523 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(CO)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-8580808454 |
0.68 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#N)C)OC(C)=O
|
|
| MCULE-8328775128 |
0.68 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@](C5=CC(=O)OC5)([H])CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O
|
|
| MCULE-5598679764 |
0.68 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21C
|
|
| MCULE-4097681428 |
0.68 |
[C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@]([C@H](O)C1)(C)[C@@H](C1=CC(=O)OC1)CC3)CC2
|
|
| MCULE-2818532213 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2575982393 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O
|
|
| MCULE-3364249229 |
0.68 |
C(CC(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C(C)CCCC(C)C)C1(C)CC3)(C)=O
|
|
| MCULE-5124685906 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3(O)CC[C@]2([H])C[C@H]1O
|
|
| MCULE-3623108676 |
0.68 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
|
|
| MCULE-7919639616 |
0.68 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-6754625100 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)([H])OC(C)=O
|
|
| MCULE-8554570348 |
0.68 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2(O)C#N)C)OC(C)=O
|
|
| MCULE-2484673307 |
0.68 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CC[C@@]2(O)C#N)C)OC(C)=O
|
|
| MCULE-6078616811 |
0.68 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(Cl)C2C(C)=O
|
|
| MCULE-6377189094 |
0.68 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-8928562205 |
0.68 |
C(C)(=O)OC1CC(O)C2(CO)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-7142425021 |
0.68 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC(Cl)C2C(C)=O
|
|
| MCULE-2442515222 |
0.68 |
C1C[C@]2([H])[C@@](C)(CCC3=CCOC3=O)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-2062809477 |
0.68 |
[C@@H]1(C)CC[C@@H](O)C=CC(=O)O[C@H](C)[C@@H](O)C=CC(=O)O1
|
|
| MCULE-9839017109 |
0.68 |
[C@]12(C)CCCC[C@]1([H])C(=C)C1[C@@]([H])(OC(C=1C)=O)C2
|
|
| MCULE-3343469308 |
0.68 |
C1[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-8052397157 |
0.68 |
C1C[C@@]2(C3(C(=C[C@H]([C@@]2([H])C(C)(C)C1)O)COC3=O)O)C
|
|
| MCULE-5967543500 |
0.68 |
C1CC2(C3(O)C(=CC(O)C2C(C)(C)C1O)COC3=O)C
|
|
| MCULE-1548167049 |
0.68 |
C(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-2745275424 |
0.68 |
C123[C@@H]4[C@@H](CC[C@@]5(O[C@]1(C)[C@H]([C@@]([C@]1([H])C6C([C@@H]7[C@@H](CC[C@]6(C)O)[C@@H](C(=O)O7)C)=C(C)[C@]21[H])([H])C35)O)C)[C@@H](C(=O)O4)C
|
|
| MCULE-7624822737 |
0.68 |
[C@@H]1(O)C[C@@]2(C3(C(=C[C@H]([C@]2(C(C)(C)C1)[H])O)COC3=O)O)C
|
|
| MCULE-2424380947 |
0.68 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-3699550787 |
0.68 |
C12=CCCCC1([H])C(CCCCOC(C)=O)OC1CCCC[C@@]21[H]
|
|
| MCULE-2895344878 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
|
|
| MCULE-9705119087 |
0.68 |
[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
|
|
| MCULE-7620764075 |
0.68 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1C2C(C)C2(O1)CCC(CO2)C
|
|
| MCULE-5920266438 |
0.68 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=C1
|
|
| MCULE-7853850848 |
0.68 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@H]1[C@@H]2[C@H](C)[C@]2(O1)CC[C@H](CO2)C)[H]
|
|
| MCULE-4463171772 |
0.68 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-6266062726 |
0.68 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O
|
|
| MCULE-7949052065 |
0.68 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-7783153626 |
0.68 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-5886720027 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)=O
|
|
| MCULE-6357156788 |
0.68 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(CCl)=O)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
|
|
| MCULE-4699905911 |
0.68 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCl)=O
|
|
| MCULE-2699479252 |
0.68 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(CCl)=O)[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-7163756961 |
0.68 |
O=C(C(F)(F)F)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-1191180792 |
0.68 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
|
|
| MCULE-3927730358 |
0.68 |
C(CCl)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-5244359815 |
0.68 |
C(CBr)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-6313611389 |
0.68 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCl)=O
|
|
| MCULE-3017671740 |
0.68 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O)OC(C)=O
|
|
| MCULE-2738564503 |
0.68 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
|
|
| MCULE-7816980935 |
0.68 |
CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O
|
|
| MCULE-2088102696 |
0.68 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-3762190089 |
0.68 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MCULE-4800012179 |
0.68 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-7138852957 |
0.68 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MolPort-039-338-215 |
0.68 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-001-936-790 |
0.68 |
CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC(C)=O)OC11CCC(C)CO1
|
|
| MolPort-046-765-314 |
0.68 |
CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1
|
|
| MolPort-002-516-283 |
0.68 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-046-762-705 |
0.68 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-002-524-765 |
0.68 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-002-507-219 |
0.68 |
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-044-755-259 |
0.68 |
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-044-724-399 |
0.68 |
CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O
|
|
| MolPort-019-931-768 |
0.68 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MolPort-005-944-878 |
0.68 |
C\C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)C(C)[C@@H]12
|
|
| MolPort-039-052-656 |
0.68 |
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CC[C@@H]12
|
|
| MolPort-044-649-755 |
0.68 |
CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4COC(C)=O
|
|
| MolPort-044-755-247 |
0.68 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-044-755-223 |
0.68 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O)OC(C)=O
|
|
| MolPort-046-761-006 |
0.68 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-002-507-136 |
0.68 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl
|
|
| MolPort-046-594-618 |
0.68 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCl
|
|
| MolPort-002-529-404 |
0.68 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl
|
|
| MolPort-002-511-923 |
0.68 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl
|
|
| MolPort-004-947-162 |
0.68 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCl
|
|
| MolPort-046-647-045 |
0.68 |
COC(=O)\C=C\[C@@H]1CCC[C@H]2O[C@@H]12
|
|
| MolPort-005-945-288 |
0.68 |
CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
|
|
| MolPort-005-944-045 |
0.67 |
C[C@H]1[C@@H]2[C@H](O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MolPort-002-527-443 |
0.67 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
|
|
| MolPort-035-706-335 |
0.67 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-039-338-837 |
0.67 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-528-365 |
0.67 |
CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
|
|
| MolPort-001-742-456 |
0.67 |
CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
|
|
| MolPort-021-804-667 |
0.67 |
CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
|
|
| MolPort-029-943-092 |
0.67 |
CC1(C)C2C(O)C=C3COC(=O)C3(O)C2(C)CCC1=O
|
|
| MolPort-039-338-537 |
0.67 |
C[C@H](CCCOC(C)=O)C1=C(C)CC2OC(=O)[C@]3(C[C@@]45C(OC(C)=O)[C@@H]3C(C)=C4C[C@H]3[C@H](C[C@@H]5C)OC(=O)C3=C)C2[C@@H]1O
|
|
| MolPort-001-569-828 |
0.67 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-035-706-550 |
0.67 |
CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
|
|
| MolPort-002-800-191 |
0.67 |
CC(=O)OC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-005-936-166 |
0.67 |
O=C1OC2CC1CC=C2
|
|
| MolPort-035-706-200 |
0.67 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C
|
|
| MolPort-035-705-834 |
0.67 |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1OC(C)=O
|
|
| MolPort-002-530-290 |
0.67 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCl
|
|
| MolPort-046-596-265 |
0.67 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCl
|
|
| MolPort-030-082-249 |
0.67 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCl
|
|
| MolPort-021-804-665 |
0.67 |
CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O
|
|
| MolPort-005-944-308 |
0.67 |
C\C=C\C(=O)OC1\C=C\C(OC(C)=O)C(O)CCC(=O)OC1C
|
|
| MolPort-042-675-285 |
0.67 |
CC1(C)CCCC2(C)C1C(OC(=O)CCC(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-021-804-785 |
0.67 |
CC1CC\C=C(C)\CC2OC(=O)C(C)=C2CC1=O
|
|
| MolPort-046-690-853 |
0.67 |
[Na+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCC\C=C\CCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-042-675-283 |
0.67 |
COC1C(O)C2C(C)(C)CCCC2(C)C2=C1C(=O)OC2
|
|
| MCULE-2094560228 |
0.67 |
C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C
|
|
| MCULE-9630312174 |
0.67 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
|
|
| MCULE-3133855253 |
0.67 |
C1CC2(C)C3(O)C(=O)OCC3=CC(O)C2C(C)(C)C1=O
|
|
| MCULE-1911874268 |
0.67 |
C12CC(OCC=C)CCC1(C)C1CCC3(C)CCCC3C1CC=2
|
|
| MCULE-4328068845 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=C[C@@H](OC)[C@@]2(O)C[C@H]1O
|
|
| MCULE-7838361683 |
0.67 |
[C@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-1286702458 |
0.67 |
[C@@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-7037894510 |
0.67 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-3981843538 |
0.67 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-4587387143 |
0.67 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
|
|
| MCULE-3922449822 |
0.67 |
O=C1C2CC(C=CC2)O1
|
|
| MCULE-7841141029 |
0.67 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8156762045 |
0.67 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCl)=O
|
|
| MCULE-1052258564 |
0.67 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
|
|
| MCULE-6359752884 |
0.67 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C
|
|
| MCULE-2876588696 |
0.67 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-2383807113 |
0.67 |
C1[C@@H](C)OC(=O)C[C@@H](O)C=C[C@H]2O[C@@H]12
|
|
| MCULE-9912732918 |
0.67 |
C1C[C@]2(C)[C@@]3([H])C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-4627485071 |
0.67 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1O
|
|
| MCULE-6799888455 |
0.67 |
C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-8133468470 |
0.67 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
|
|
| MCULE-5417027317 |
0.67 |
O(C1C(O)CCC(=O)OC(C)C(OC(=O)/C=C/C)C=C1)C(C)=O
|
|
| MCULE-8747453775 |
0.67 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(CCC(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-5979426935 |
0.67 |
C12C(C)(C)CCCC1(C)OC(=O)C=2
|
|
| MCULE-9968073626 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@@H](OC)C=C2C[C@H]1O
|
|
| MCULE-9558386116 |
0.67 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-3655756453 |
0.67 |
[C@@H]1(/C=C(\C)/C(O)=O)CC[C@@H](C)[C@@]2([H])[C@@H](CC(=C21)C)OC(C)=O
|
|
| MCULE-6809618026 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
|
|
| MCULE-1112041418 |
0.67 |
O=C1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C12)OC(C)=O)[H]
|
|
| MCULE-7410954618 |
0.67 |
C1CC2=C[C@H]([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)O
|
|
| MCULE-4661795097 |
0.67 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-3320650867 |
0.67 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-2266958285 |
0.67 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C=C
|
|
| MCULE-5585134478 |
0.67 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCC=CCC=CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-2566917767 |
0.67 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-2185361459 |
0.67 |
O1C(C=C2[C@@]1(C)CCCC2(C)C)=O
|
|
| MCULE-4710541318 |
0.67 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C#N
|
|
| MCULE-3712584936 |
0.67 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
|
|
| MCULE-5558502153 |
0.67 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-3052348589 |
0.67 |
C1(=O)O[C@@H]2[C@@H]([C@@H](CC(C)=CC[C@H](OC(C)=O)C(C)=C2)OC(=O)/C(=C/C)/COC(=O)/C(/CO)=C/C)C1=C
|
|
| MCULE-4969238152 |
0.67 |
C1(C)=CC(C)C2C(C)C1C(C=CC)OC2
|
|
| MCULE-3543018898 |
0.67 |
CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-8750855908 |
0.67 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-4858829873 |
0.67 |
CC1(C)C2=CC(O[C@]2(C)CCC1)=O
|
|
| MCULE-4124934247 |
0.67 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
|
|
| MCULE-3481914833 |
0.67 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
|
|
| MCULE-9931270158 |
0.67 |
C(C(Cl)Cl)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-5965392040 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@H](OC)C=C2C[C@H]1O
|
|
| MCULE-5214550861 |
0.67 |
C12C(C)(C)CCC[C@]1(C)OC(=O)C=2
|
|
| MCULE-9485946749 |
0.67 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MolPort-001-742-274 |
0.67 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](OC(C)=O)[C@H]12
|
|
| MolPort-039-338-308 |
0.67 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-006-121-402 |
0.67 |
CC12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-001-937-574 |
0.67 |
C\C=C\C1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-002-799-473 |
0.67 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MolPort-001-742-398 |
0.67 |
C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-426-236 |
0.67 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-035-706-023 |
0.67 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-001-740-022 |
0.67 |
C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C
|
|
| MolPort-001-742-311 |
0.67 |
C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
|
|
| MolPort-002-511-845 |
0.67 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@@H](O)[C@]4(O)C#N)C3CC=C2C1
|
|
| MolPort-021-804-735 |
0.67 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-021-804-540 |
0.67 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-001-742-309 |
0.67 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
|
|
| MolPort-005-944-946 |
0.67 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-019-992-901 |
0.67 |
C[C@@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-044-727-765 |
0.67 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-426-235 |
0.67 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-027-835-895 |
0.67 |
C[C@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-046-067-657 |
0.67 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-006-112-040 |
0.67 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-039-339-228 |
0.67 |
C[C@@H](CC[C@@H](O)C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O
|
|
| MolPort-035-706-333 |
0.67 |
CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]3(C)[C@H]12)[C@H](C)C\C=C\C(C)(C)OC
|
|
| MolPort-010-969-189 |
0.67 |
CC1C(O)C2C(CC(C)=C1CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-046-067-645 |
0.67 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC21CCCC1
|
|
| MolPort-046-156-814 |
0.67 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC44OCCO4)[C@@H]3CC=C2C1
|
|
| MolPort-039-338-575 |
0.67 |
C[C@H](CCCOC(C)=O)C1=CC2C(C[C@@]1(C)O)OC(=O)[C@]21CC2[C@@H]3[C@H](C)CC4OC(=O)C(=C)C4CC3=C(C)[C@]12OC(C)=O
|
|
| MolPort-045-968-441 |
0.67 |
CC1C=C(C)C2C(C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-035-706-298 |
0.67 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-006-114-478 |
0.67 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-001-739-897 |
0.67 |
CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
|
|
| MolPort-002-508-532 |
0.67 |
C\C=C\C1OC[C@H]2C(C)C=C(C)[C@@H]1C2C
|
|
| MolPort-046-509-050 |
0.67 |
C\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
|
|
| MolPort-038-386-082 |
0.66 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H]([C@@H](O)C[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-023-276-585 |
0.66 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-001-742-261 |
0.66 |
C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)C1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-046-761-028 |
0.66 |
CCCCCCCCCCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](O)[C@@]4(O)[C@@H]1O)C2=O)C3(C)C
|
|
| MolPort-005-944-309 |
0.66 |
C\C=C\C(=O)OC1\C=C\C(O)C(CCC(=O)OC1C)OC(C)=O
|
|
| MolPort-001-741-556 |
0.66 |
COC(\C=C\C(OC(C)=O)C(C)OC(C)=O)C(O)C1CC=CC(=O)O1
|
|
| MolPort-038-386-581 |
0.66 |
CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-006-822-486 |
0.66 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-044-559-903 |
0.66 |
CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-003-846-182 |
0.66 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C\C=C\C([O-])=O)[C@@H]12
|
|
| MolPort-002-511-342 |
0.66 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-010-969-350 |
0.66 |
CC1CCC[C@]2(C)CC3OC(=O)C(=C)C3C=C12
|
|
| MolPort-020-005-696 |
0.66 |
C[C@@H]1CCC[C@@]2(C)C[C@@H]3OC(=O)C(=C)[C@@H]3C=C12
|
|
| MolPort-003-846-187 |
0.66 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C\C=C\C([O-])=O)[C@@H]12
|
|
| MolPort-021-804-738 |
0.66 |
CC1=C2CC3C(CCC3(C)O)C(C)(O)CC2OC1=O
|
|
| MolPort-044-561-715 |
0.66 |
CC(C)CC(=O)O[C@H]1C[C@@]2(CO)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-001-942-709 |
0.66 |
CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12
|
|
| MolPort-027-720-870 |
0.66 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
|
|
| MolPort-002-527-555 |
0.66 |
CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]45)[C@@H]3CC=C2C1
|
|
| MolPort-039-338-710 |
0.66 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)=C
|
|
| MolPort-046-761-511 |
0.66 |
CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-005-944-076 |
0.66 |
CC(C)C(=C)CCC(C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]12C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)C1CC3
|
|
| MolPort-030-065-228 |
0.66 |
CCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC6(CCC(C)CO6)C(C)C45)C3CC=C2C1
|
|
| MolPort-001-742-448 |
0.66 |
COC(=O)\C=C(\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O
|
|
| MolPort-005-945-283 |
0.66 |
CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-046-153-715 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1
|
|
| MCULE-3351915633 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)(C)Br)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9012319989 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(C)I)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6349353177 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(C)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3038975638 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(C)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5236688455 |
0.66 |
[C@]12(O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-4513472403 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)CCCl
|
|
| MCULE-2871410677 |
0.66 |
C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O)OC(C)=O
|
|
| MCULE-7968591564 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)CC(F)(F)F
|
|
| MCULE-6247777566 |
0.66 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-1631535635 |
0.66 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MCULE-2112245744 |
0.66 |
CCCCCC[C@](CC=CCCCCCCCC(OC)=O)(OC(C)=O)[H]
|
|
| MCULE-3305666834 |
0.66 |
[C@H]12OC(=O)C([C@@H]1[C@H](OC(/C(/C)=C/CO)=O)C[C@]1(O)CO[C@@H]3C=C(C)[C@@]2([H])[C@]13[H])=C
|
|
| MCULE-6561827943 |
0.66 |
C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2
|
|
| MCULE-8539726206 |
0.66 |
[C@]12(O)CC([C@@H](C1(C)CCC1C2CC[C@]2(C1(C)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)[H])C1COC(=O)C=1)OC(=O)C[N+](C)(C)C
|
|
| MCULE-1089229934 |
0.66 |
C/C=C(/C(O[C@H]1[C@H]2C(C(O[C@@H]2C=C(C)[C@@H](O)C[C@H]2O[C@]2(C)C1)=O)=C)=O)\C
|
|
| MCULE-1499638877 |
0.66 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-5198741898 |
0.66 |
[C@H]1(O)[C@@H](O)[C@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)OC[C@]1([H])C[C@H]1[C@@]([C@@H](C)[C@@H](O)C)([H])O1
|
|
| MCULE-9798073540 |
0.66 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-5325377420 |
0.66 |
O=C(CCCCCCCCOC(=O)/C=C(/C[C@H]1[C@H](O)[C@H](O)[C@@H](C[C@H]2[C@H]([C@@H](C)[C@H](C)O)O2)CO1)\C)O
|
|
| MCULE-1584743999 |
0.66 |
[C@]1([H])(C[C@H]2CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@@H](O)C
|
|
| MCULE-4149750257 |
0.66 |
C12([C@@]3([H])[C@@H]([C@@H](O)[C@@]1([C@@]1([C@@]([H])(C=C([C@@H](OC(=O)C)C1)C)O3)COC(C)=O)C)O)CO2
|
|
| MCULE-6250100613 |
0.66 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-2686998361 |
0.66 |
C1C(=O)[C@]2(C)C3C(C[C@H]4O[C@]42[C@@H](O)C=1)[C@]1([H])CCC([C@H](C)C2CC(C)=C(CO)C(=O)O2)[C@@]1(C)CC3
|
|
| MCULE-7810213600 |
0.66 |
O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)O)=O)C
|
|
| MCULE-8808813613 |
0.66 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(/C=C/C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-4960112087 |
0.66 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@@H](C1)[C@@H](O)C[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-8026798132 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O
|
|
| MCULE-3905456317 |
0.66 |
C1C=CC(OC1C(C(/C=C/C(OC(=O)C)C(OC(=O)C)C)OC)O)=O
|
|
| MCULE-5092150576 |
0.66 |
OC1C(OC(=O)C)CCC(OC(C)C(C=C1)OC(=O)/C=C/C)=O
|
|
| MCULE-9196010352 |
0.66 |
C[C@@]12[C@]3(CO)[C@](C=C([C@H](C3)OC(=O)CC(C)C)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2O
|
|
| MCULE-2858651865 |
0.66 |
O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O
|
|
| MCULE-7768501355 |
0.66 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-5823109002 |
0.66 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6120787334 |
0.66 |
C12CC34CCCCC3(C=C1)C4C(=O)O2
|
|
| MCULE-7361919999 |
0.66 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-7872068756 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(CCC)=O)[C@]1([H])C[C@H]1[C@]2([H])[C@H](C)[C@]2(O1)CC[C@H](CO2)C)[H]
|
|
| MCULE-7717916149 |
0.66 |
C12CC3=C(C)C(=O)OC3CC(O)(C)C1CCC2(C)O
|
|
| MCULE-2901288503 |
0.66 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-7501478721 |
0.66 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C=O)=CC2)C1)C
|
|
| MCULE-5234178765 |
0.66 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC=C4[C@]3([H])CC[C@@]2([H])C[C@H]1O
|
|
| MCULE-1570504797 |
0.66 |
C1CC2(C)C3C(CC=C2CC1OC1OC(C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)CO)C1(O)CC/C(=C2/CC(OC/2)=O)/C1(C)CC3
|
|
| MCULE-3325335892 |
0.66 |
[C@H]12OC(=O)C([C@@H]1[C@H](O)C[C@](O)(CCl)[C@]1([H])[C@H](O)C=C(C)[C@@]12[H])=C
|
|
| MCULE-8456669141 |
0.66 |
C1(=C2CCC(O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)=O)C
|
|
| MCULE-9648186954 |
0.66 |
C1C=CC(OC1C(C(/C=C/C(OC(=O)C)C(OC(=O)C)C)O)O)=O
|
|
| MCULE-8081626398 |
0.66 |
C1(OC(/C=C/C(O)C(C)O)C(CC1)OC(=O)/C(/C)=C/C)=O
|
|
| MCULE-8302905584 |
0.66 |
C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3
|
|
| MCULE-5751414985 |
0.66 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MCULE-5042813534 |
0.66 |
C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-8902402936 |
0.66 |
CC1([C@@H]2C(COC(C3C4OC(CC4)C3)=O)=CC[C@H]1C2)C
|
|
| MCULE-6937259697 |
0.66 |
O1CC2[C@H](O)[C@@]3(C/C=C(\C)/C)O[C@H]3[C@@H](C=2[C@H]([C@@H]1C)O)O
|
|
| MCULE-9559893813 |
0.66 |
C12COC(C(CCC)O)C=1C(O)C1OC1C2O
|
|
| MCULE-9460650239 |
0.66 |
C(CC)(=O)OC1C2C3(C)CCC4(CC3=CCC2C(O)C(CO)(CC=C)C1)OCCO4
|
|
| MCULE-6579743305 |
0.66 |
C1CC2(C)C(CC1OC(CC(I)C)=O)=CCC1C3C(C)(CCC21)C(C(C)CCCC(C)C)CC3
|
|
| MCULE-5454204287 |
0.66 |
C1C[C@@]2(C)[C@@]([C@H](O)CC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-4024956051 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-4678762535 |
0.66 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-5053602152 |
0.66 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(C(C)Br)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-6395225361 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CCCl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2585190354 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC2=C(COC(C)=O)C#N)[H]
|
|
| MCULE-8399347131 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(C)CCC(=O)C2)C1COC(=O)C=1
|
|
| MCULE-1931440399 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)(C)Br
|
|
| MCULE-8770472130 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-7048270500 |
0.66 |
C1CC2(C)CC3OC(=O)C(C)=C3CC2C(=C)C1O
|
|
| MCULE-7921441859 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)(C#C)OC(C)=O
|
|
| MCULE-7048891368 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC(F)(F)F)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5487707656 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CCBr)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2748824939 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-8914845141 |
0.66 |
C(C)(=O)OC1CCC2(CO)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-2983690182 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-5472477242 |
0.66 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
|
|
| MCULE-9020843608 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(C)Cl)=O
|
|
| MolPort-005-945-551 |
0.66 |
CC12CCC3C(CC=C4CC(CCC34C)OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C1(O)CC\C2=C1/COC(=O)C1
|
|
| MolPort-046-162-881 |
0.66 |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
|
|
| MolPort-001-740-033 |
0.66 |
C\C=C(/C)C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O
|
|
| MolPort-001-741-130 |
0.66 |
CC1=C2CCC(=O)O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-039-339-220 |
0.66 |
CC1=C[C@@H](O)[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](O)C[C@]2(O)CCl
|
|
| MolPort-001-741-555 |
0.66 |
CC(OC(C)=O)C(OC(C)=O)\C=C\C(O)C(O)C1CC=CC(=O)O1
|
|
| MolPort-046-153-806 |
0.66 |
CC(=O)O[C@@H]1CC2[C@H](OC(=O)C22C3C=CC2(C)C2[C@H]4OC(=O)C(=C)C4CC[C@@](C)(O)C32)C2C(CC=C2C)[C@]1(C)O
|
|
| MolPort-001-739-822 |
0.66 |
C[C@@H]1OCC2=C([C@@H](O)[C@@H]3O[C@]3(CC=C(C)C)[C@H]2O)[C@H]1O
|
|
| MolPort-001-742-574 |
0.66 |
CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1
|
|
| MolPort-035-742-837 |
0.66 |
CC1(C)[C@@H]2C[C@H]1C(COC(=O)C1CC3CCC1O3)=CC2
|
|
| MolPort-019-931-729 |
0.66 |
CCCC(O)C1OCC2=C1C(O)C1OC1C2O
|
|
| MolPort-046-693-328 |
0.66 |
CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-021-804-733 |
0.66 |
CC1(CO)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-028-854-621 |
0.66 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@H](CC[C@]3(C)[C@H]1CC2O)OC(=O)CCC(O)=O)C1=CC(=O)OC1
|
|
| MolPort-009-649-072 |
0.66 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Br
|
|
| MolPort-027-853-729 |
0.66 |
CC1=C2CC3C(=C)CCCC3(C)CC2OC1=O
|
|
| MolPort-001-739-842 |
0.66 |
CC1=C2CC3C(=C)C(O)CCC3(C)CC2OC1=O
|
|
| MolPort-030-082-248 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCl
|
|
| MolPort-002-521-219 |
0.66 |
C[C@]12CCC3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-027-849-841 |
0.66 |
CC(C)CCCC(C)C1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-002-510-917 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCl
|
|
| MolPort-003-719-575 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(F)(F)F
|
|
| MolPort-042-646-606 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)(C)Br
|
|
| MolPort-002-508-666 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC(F)(F)F
|
|
| MolPort-007-549-247 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)Cl
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0.66 |
C[C@]1(CC[C@]2(C)[C@@H](C1)CCC(C)(C)[C@H]1OC(=O)C=C21)C=C
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0.66 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45O)C3CC=C2C1
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0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(C)(C)Br
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0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)Br
|
|
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0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)I
|
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0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)I
|
|
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0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)(C)Br
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0.66 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
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0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCBr
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CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O
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0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Br
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0.66 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
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CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1CCCCCCC(O)=O
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Cl
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C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2[C@H](O)CC1=CCOC1=O
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0.66 |
CC12CC[C@H]3[C@@H](CCC4CC(CCC34C)OC(=O)C[N+](C)(C)C)C1(O)CC(OC(=O)C[N+](C)(C)C)C2C1=CC(=O)OC1
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0.66 |
CCNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4COC(C)=O
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0.66 |
CC12CCC3C(CCC4CC(CCC34C)OC(=O)C[N+](C)(C)C)C1(O)CC(OC(=O)C[N+](C)(C)C)C2C1=CC(=O)OC1
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0.66 |
CC1CC2C(C=CC3C2CC2=C(O)CC(CC(O)C3C)OC2=O)C1OC(C)=O
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0.66 |
C\C(=C/CO)C(=O)O[C@@H]1C[C@]2(O)CO[C@@H]3C=C(C)[C@H]([C@H]4OC(=O)C(=C)[C@H]14)[C@H]23
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0.66 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
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0.66 |
CC(=O)OC[C@]12C[C@H](OC(C)=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)C11CO1
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0.66 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
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|
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0.66 |
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
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|
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0.66 |
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
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C[C@H]1CCCC2C(O)C3OC(=O)C(C)=C3C[C@]12C
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CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
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0.65 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
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|
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CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
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CC(=O)OCC1=CCC2C(C)(C)CCCC2(C)C11CCC(C)(CC(O)=O)O1
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|
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C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
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C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
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CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
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CCC1OCC2(COC(C)=O)CC1C(C)=CC2C
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
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CCC1OC[C@]2(COC(C)=O)C(C)C=C(C)[C@H]1C2C
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CC(C)C1OCC2(COC(C)=O)CC=C(C)C1C2
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CC1OCC2(COC(C)=O)CC=C(C)C1C2C
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CCCCCC1OCC2(COC(C)=O)C(C)C=C(C)C1[C@@H]2C
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CCC1OCC2(COC(C)=O)C(C)C=C(C)C1C2C
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CC1OCC2(COC(C)=O)CC=C(C)C1C2
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CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CC1OCC2(COC(C)=O)C(C)C=C(C)C1[C@H]2C
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CC1C=C(C)C2COCC1(COC(C)=O)C2C
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CC12CCC3C(CCC4CC(O)CCC34CO)C1=CCC2C1=CC(=O)OC1
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
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CC1OCC2(COC(C)=O)CC=C(C)C1[C@H]2C
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CC1OC[C@]2(COC(C)=O)CC=C(C)[C@H]1C2C
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CC1OC[C@]2(COC(C)=O)CC=C(C)[C@H]1C2
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
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C12(COCC(C(C)=CC1C)C2C)COC(C)=O
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
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C12(COC(C)=O)CC=C(C(C(C)OC1)C2C)C
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C12(COC(C)=O)COC(C(C(C)=CC1C)C2)C
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C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
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CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
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O1C(CC2C1CC=CC2)=O
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[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
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| MCULE-9169992682 |
0.65 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-2277162868 |
0.65 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-5494151913 |
0.65 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-5448913970 |
0.65 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2235884727 |
0.65 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-9013163041 |
0.65 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-1104455109 |
0.65 |
C1(C)(C(C)CCC2(C)C(=CCCC21)C)CC1CC(CCC1OC(C)=O)OC(C)=O
|
|
| MCULE-3798887300 |
0.65 |
[C@]12(C)CCCC(C)(C)[C@]1([H])[C@H](CC(=C)[C@H]2CCC(C)(C=C)OC(C)=O)OC(C)=O
|
|
| MCULE-8296033831 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(C(CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O)[H]
|
|
| MCULE-8693881242 |
0.65 |
C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O
|
|
| MCULE-1120014260 |
0.65 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C([C@@H](OC(=O)C)CC(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-2427659817 |
0.65 |
[C@]12(C)CC[C@@H](C=C1C=C[C@@]1([H])C3[C@@](C)([C@@]4(CC3)CCC(=O)O4)CCC12)OC(C)=O
|
|
| MCULE-3423268424 |
0.65 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-2284846333 |
0.65 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H]([C@@]4([H])CC=C(C)C(=O)O4)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-7503740182 |
0.65 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-7472025598 |
0.65 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-9485008266 |
0.65 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](CC1[C@@]3([C@]([H])(C[C@H](CC3)OC(C)=O)CC[C@]12[H])C)OC(C)=O
|
|
| MCULE-2591222806 |
0.65 |
C1CC(C)(C)C2C(C(CC34OC3C(O)C(CO)=CC4O)C(=CC2)C)(C1)C
|
|
| MCULE-2754196624 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1885429632 |
0.65 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-2735287875 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC(C)Br)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2982639627 |
0.65 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O
|
|
| MCULE-5985682586 |
0.65 |
C1C(O)C(C)(C)C2C(C(CC34OC3C(O)C(CO)=CC4O)C(=CC2)C)(C1)C
|
|
| MCULE-7719471412 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)CC(C)Cl
|
|
| MCULE-4161111446 |
0.65 |
CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C
|
|
| MCULE-2099620813 |
0.65 |
C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C
|
|
| MCULE-7655404946 |
0.65 |
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1CC2[C@@](CC1)(C)C1[C@@]([H])(CC=2)[C@@]2(O)CC[C@@H]([C@@]2(C)CC1)C1=CC(=O)OC1
|
|
| MCULE-8988750193 |
0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-5211667856 |
0.65 |
[H]C12C3(C)CCC(O)CC3(O)C(C=C1C1CCC(C(C)C=CC(C)C(C)C)C1(C)CC2)OC(C1C=CC=CC=1)=O
|
|
| MCULE-8557334664 |
0.65 |
CC(OC(C=C1CCOCCC1)=O)(C)C
|
|
| MCULE-4320007788 |
0.65 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-3654721932 |
0.65 |
C12C3C4C5C1C(C1C5C(C4CC3=CC(OCC)=O)CC1=CC(=O)OCC)C1OC21
|
|
| MCULE-7005445792 |
0.65 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-4520759908 |
0.65 |
[C@]12(O)CC([C@@H](C1(C)CCC1C2CC[C@]2(C1(C)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)[H])C1COC(=O)C=1)OC(=O)C[N+](C)(C)C.[Br-].[Br-]
|
|
| MCULE-9996412338 |
0.65 |
C12OC(=O)C(C)(C3C(C(O)=O)C45CC(=C)C(O)(CCC4C3=C1)C5)C2O
|
|
| MCULE-5937604280 |
0.65 |
C1C2O[C@]2(C[C@]2(O)C(C[C@H]3O[C@@]3(C)C1)=C(C)C(=O)O2)C
|
|
| MCULE-8723675857 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-3003712811 |
0.65 |
C(CC(C)CC)(OC1C(C(C)C)C(O)C=C(CO)C1=O)=O
|
|
| MCULE-6443674630 |
0.65 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-9875985617 |
0.65 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)C2O
|
|
| MCULE-6852340934 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(CCCCC)=O)[C@]1([H])C[C@H]1[C@@H]2[C@H](C)[C@]2(O1)CC[C@H](CO2)C)[H]
|
|
| MCULE-1637424025 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCC)=O)C1CC1C2C(C)C2(O1)CCC(CO2)C
|
|
| MCULE-5385404753 |
0.65 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-5801016152 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1838275290 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(CCC)Cl)=O
|
|
| MolPort-020-006-022 |
0.65 |
C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H]1CC=C(C)C(=O)O1
|
|
| MolPort-002-527-248 |
0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3C2C[C@@H](OC(C)=O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
|
|
| MolPort-035-681-208 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-046-596-359 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC(C)Cl
|
|
| MolPort-046-596-376 |
0.65 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC(OC(C)=O)[C@]2(C)C(CCC32O)C2=CC(=O)OC2)C1
|
|
| MolPort-046-790-415 |
0.65 |
C[C@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
|
|
| MolPort-028-609-996 |
0.65 |
C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
|
|
| MolPort-046-697-223 |
0.65 |
CC1=CCC2C(C)(C)C(O)CCC2(C)C1CC12OC1C(O)C(CO)=CC2O
|
|
| MolPort-007-549-252 |
0.65 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)Cl
|
|
| MolPort-002-818-342 |
0.65 |
CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
|
|
| MolPort-001-739-749 |
0.65 |
CC1=CCC2C(C)(C)CCCC2(C)C1CC12OC1C(O)C(CO)=CC2O
|
|
| MolPort-002-528-731 |
0.65 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)Cl
|
|
| MolPort-007-549-280 |
0.65 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)Br
|
|
| MolPort-042-675-284 |
0.65 |
CC1(C)CCCC2(C)C1C(OC(=O)C(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-005-945-427 |
0.65 |
C[C@]12CCC3[C@@H](CC=C4C[C@H](CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-019-939-222 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-001-742-706 |
0.65 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-002-508-407 |
0.65 |
CC1[C@@H]2COC[C@@]1(COC(C)=O)CC1C2=CCCC1(C)C
|
|
| MolPort-046-683-997 |
0.65 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
|
|
| MolPort-019-931-870 |
0.65 |
CC12C(O)C(OC1=O)C=C1C3CCC4(O)CC3(CC4=C)C(C21)C(O)=O
|
|
| MolPort-003-931-083 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-028-854-626 |
0.65 |
[Br-].[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)C[N+](C)(C)C)[C@@]1(O)CC(OC(=O)C[N+](C)(C)C)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-005-944-933 |
0.65 |
CC1=C2C[C@H]3O[C@@]3(C)CCC3O[C@@]3(C)C[C@@]2(O)OC1=O
|
|
| MolPort-000-724-419 |
0.65 |
[Br-].[Br-].CC12CCC3C(CC[C@@H]4C[C@H](CCC34C)OC(=O)C[N+](C)(C)C)[C@@]1(O)CC(OC(=O)C[N+](C)(C)C)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-027-640-929 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-009-194-219 |
0.65 |
O.O.[Ca++].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O.C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-002-519-875 |
0.65 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-035-705-937 |
0.65 |
CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)=C1
|
|
| MolPort-046-760-618 |
0.65 |
[Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-046-596-253 |
0.65 |
CC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-005-944-832 |
0.65 |
CCC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-003-940-331 |
0.65 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)C2(C)C11CO1
|
|
| MolPort-046-703-111 |
0.65 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
|
|
| MolPort-001-742-234 |
0.65 |
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4[C@H]4O[C@@]34CC[C@@H]2C1(C)C
|
|
| MolPort-044-561-107 |
0.65 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]11CO1
|
|
| MolPort-019-939-277 |
0.65 |
CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC6(CC[C@@H](C)CO6)[C@@H](C)C45)C3CC=C2C1
|
|
| MolPort-002-507-344 |
0.65 |
CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]45)[C@@H]3CC=C2C1
|
|
| MolPort-046-765-335 |
0.65 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(=O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-046-153-176 |
0.65 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
| MolPort-039-009-490 |
0.65 |
CCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC6(CCC(C)CO6)C(C)C45)C3CC=C2C1
|
|
| MolPort-046-761-503 |
0.65 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H](C(=O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-042-665-694 |
0.65 |
CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC6(CC[C@@H](C)CO6)C(C)C45)C3CC=C2C1
|
|
| MolPort-002-512-229 |
0.65 |
CCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5O[C@]6(CCC(C)CO6)[C@@H](C)C45)C3CC=C2C1
|
|
| MolPort-046-762-703 |
0.65 |
C[C@H]1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-002-509-096 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CCC
|
|
| MolPort-007-549-255 |
0.65 |
CCCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-035-706-498 |
0.65 |
CC1(C)CCC[C@]2(C)[C@H]3COC(C)(C)OCC3=CC[C@@H]12
|
|
| MolPort-044-755-222 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC5OC(C)(C)OC45)[C@@H]3CC=C2C1
|
|
| MolPort-046-628-950 |
0.65 |
C[C@@H]1C[C@@H]2CC=C[C@@H](C\C=C/C(=O)O[C@@H](C[C@@H]3O[C@H]3[C@@H](O)CC(=C)C1)[C@@H](O)\C=C\[C@@H]1CC(C)=CCO1)O2
|
|
| MolPort-016-638-434 |
0.65 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-039-338-853 |
0.65 |
CC([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@@H]1CC3)C1CC=C(C)C(=O)O1
|
|
| MolPort-023-220-614 |
0.64 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-001-740-663 |
0.64 |
CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
|
|
| MolPort-001-740-441 |
0.64 |
CC(=O)O[C@H]1C[C@@H](O)C(C)(C)C2C[C@@H](OC(C)=O)[C@]3(C)C(CC[C@@]4(C)C(CC=C34)C(CO)CC(O)C3OC3(C)C)[C@@]12C
|
|
| MolPort-002-508-440 |
0.64 |
CCC(=O)OC[C@@]12COC(C)[C@@H](C1)C(C)=CC2C
|
|
| MolPort-046-763-118 |
0.64 |
CCCC[C@@H](C)C[C@@H](OC1CCCCO1)\C=C\[C@H]1[C@H](C[C@@H](O)[C@H]1CCCC\C=C\C(=O)OC)OC1CCCCO1
|
|
| MolPort-001-915-776 |
0.64 |
CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C
|
|
| MolPort-002-525-874 |
0.64 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-001-739-845 |
0.64 |
C[C@@H]1CC[C@H](O)\C=C\C(=O)O[C@H](C)CC[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-009-649-189 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C\C1=CC=CC=C1
|
|
| MolPort-046-597-690 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C\C1=CC=CC=C1
|
|
| MolPort-000-295-008 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C\C1=CC=CC=C1
|
|
| MolPort-005-945-852 |
0.64 |
CCC(C)C(=O)OC1CC2C3(C(OC(C)=O)OC(OC(C)=O)C3=C1)C(O)C(O)C(C)C2(C)CCC(=C)C=C
|
|
| MolPort-046-697-140 |
0.64 |
CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
|
|
| MolPort-019-940-195 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-002-509-880 |
0.64 |
C\C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12
|
|
| MolPort-002-535-603 |
0.64 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-023-274-351 |
0.64 |
CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13
|
|
| MolPort-002-509-430 |
0.64 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-010-969-195 |
0.64 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-027-846-990 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-000-719-373 |
0.64 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CCC(O)(C(C)C)[C@H]12
|
|
| MolPort-002-528-059 |
0.64 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-002-507-110 |
0.64 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-000-713-776 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-046-153-148 |
0.64 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-042-646-605 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CCCCC
|
|
| MolPort-002-511-839 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-044-649-757 |
0.64 |
CCCNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4COC(C)=O
|
|
| MolPort-007-549-258 |
0.64 |
CCCCCCCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-019-931-744 |
0.64 |
CCCC(O)CC1CC(O)\C=C\C(O)C(O)C(C)(C)C(=O)O1
|
|
| MolPort-007-549-257 |
0.64 |
CCCCCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-530-131 |
0.64 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(Cl)CCCCC
|
|
| MolPort-001-921-994 |
0.64 |
CC1CC2=C(CC1COC(C)=O)C(C)(C)CCC2
|
|
| MolPort-003-939-461 |
0.64 |
CC(=O)OC(C)(C)C1CCC(C)=CC1
|
|
| MolPort-007-549-253 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Br)C(C)C
|
|
| MolPort-003-855-536 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Br)CC
|
|
| MolPort-007-549-251 |
0.64 |
CCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-007-980-828 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-010-969-193 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C(C)=O)C3CC=C2C1
|
|
| MolPort-002-528-954 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-009-649-149 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)C(C)C
|
|
| MolPort-044-183-248 |
0.64 |
O[C@H]1C[C@@H](O)[C@@H]2\C=C\[C@H](CCC3=CC=CC=C3)OC(=O)CCC\C=C/C[C@@H]12
|
|
| MolPort-007-549-279 |
0.64 |
CCC(Br)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-046-153-031 |
0.64 |
CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(CC=C34)C3COC(C(O)C3)C(C)(C)O)C12C
|
|
| MolPort-007-549-282 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Cl)C(C)C
|
|
| MolPort-046-594-619 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Cl)C(C)C
|
|
| MolPort-046-597-639 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)C(C)C
|
|
| MolPort-046-596-304 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CC
|
|
| MolPort-002-510-984 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)C(C)C
|
|
| MolPort-000-480-271 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4\C(C)=N\O)C3CC=C2C1
|
|
| MolPort-002-529-653 |
0.64 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(Cl)CC
|
|
| MolPort-005-944-312 |
0.64 |
CC1C\C=C\C=C\CCC(O)CCC\C=C\C(=O)O1
|
|
| MolPort-002-526-404 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-526-047 |
0.64 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OO)C(C)=O)OC(C)=O
|
|
| MolPort-027-948-624 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-697-310 |
0.64 |
CCCCCC(O)C1CC=CC(CCCCCCC(O)=O)O1
|
|
| MolPort-005-909-126 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)COCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-000-835-526 |
0.64 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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|
| MolPort-002-151-053 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=NO)C3CC=C2C1
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|
| MolPort-001-740-994 |
0.64 |
CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-596-317 |
0.64 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OO)C(C)=O)OC(C)=O
|
|
| MolPort-006-126-876 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-509-617 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)CC
|
|
| MolPort-038-386-565 |
0.64 |
CCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC1CC=CC(=O)O1
|
|
| MolPort-046-596-357 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-046-596-337 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-046-690-855 |
0.64 |
[Na+].C[C@H](O)[C@H](C)[C@H]1O[C@@H]2[C@H](CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@@H]2O)C[C@@H]1O
|
|
| MolPort-044-561-713 |
0.64 |
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-006-114-296 |
0.64 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-044-755-229 |
0.64 |
CC(=O)O[C@H]1CCC2[C@H]3CC[C@]4(C)C(=O)CCC4=C3C[C@@H](O)[C@]2(C)C1
|
|
| MCULE-7536268908 |
0.64 |
C12(COC(CC)=O)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-5611461738 |
0.64 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H].C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-5943290394 |
0.64 |
C1(=O)C=C[C@@H](O)CC[C@@H](C)OC(C=C[C@@H](O)CC[C@@H](C)O1)=O
|
|
| MCULE-5530658305 |
0.64 |
O1C(C)CCC(O)C=CC(=O)OC(C)CCC(O)C=CC1=O
|
|
| MCULE-2291866392 |
0.64 |
CC(O[C@@H](C(O)(C)C)[C@H]1O[C@H]2C[C@@H]3[C@]4(C)[C@H]([C@@]5([C@@H](CC4)C(C)(C)C(=O)CC5)C)[C@@H](O)CC3=C2C(C)(C)C1)=O
|
|
| MCULE-9514437467 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C3=CC=CC=C3)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5944383437 |
0.64 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=CC3=CC=CC=C3)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-2931298979 |
0.64 |
C1(C=CC(CCC(O)C(C)=C)(C)CC=C(CO)C(=O)C=CC1(O)C)OC(=O)/C=C(\C)/C
|
|
| MCULE-1053715481 |
0.64 |
C1(OC(C(C)CC)=O)CC2C(C)(CCC(=C)C=C)C(C(C(C32C(OC(=O)C)OC(OC(=O)C)C3=C1)O)O)C
|
|
| MCULE-9707855350 |
0.64 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-7623122514 |
0.64 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-4340391803 |
0.64 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1
|
|
| MCULE-1537420527 |
0.64 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-8746775494 |
0.64 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-7361304189 |
0.64 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-6114611450 |
0.64 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O
|
|
| MCULE-2320096475 |
0.64 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-9408406006 |
0.64 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-3590139615 |
0.64 |
C1C(C(C)CCCC(C)C)C2(C)CCC3C(C(OCC4=CC=CC=C4)C=C4C3(C)CCC(OCC3C=CC=CC=3)C4)C2C1
|
|
| MCULE-4659340446 |
0.64 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-9672207738 |
0.64 |
O1[C@]2([H])[C@@]3([H])C(C)=CC[C@@]43O[C@]4(C)CC[C@@]2([H])C(=C)C1=O
|
|
| MCULE-2605268753 |
0.64 |
C(COC(=O)CCC(=O)O)(C)(COC(=O)CCC(=O)O)C(=O)O[C@@H]1CC2=CC[C@@]3([H])[C@]4([H])CC[C@@]([H])(C4(CC[C@]3([H])[C@@]2(C)CC1)C)[C@H](C)CCCC(C)C
|
|
| MCULE-2992568144 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-2588682863 |
0.64 |
C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
|
|
| MCULE-6697936504 |
0.64 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-5123565274 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C(CCCCC)Cl)=O
|
|
| MCULE-6804658031 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCCCCCC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3703044544 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCCCC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5465935467 |
0.64 |
C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2
|
|
| MCULE-2386800783 |
0.64 |
O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
|
|
| MCULE-6716714175 |
0.64 |
C1CC(C)=CCC1C(C)(C)OC(=O)C
|
|
| MCULE-4351037464 |
0.64 |
C1(=O)[C@@](O)(C)C[C@@H]([C@@H]2[C@H](OC(=O)C2=C)C=C(C)C(O)C1)OC(=O)C(C)=C
|
|
| MCULE-9277315767 |
0.64 |
C12(C)CCC(OC(C)=O)CC1=CCC1C2CCC2(C)C1CCC2=NO
|
|
| MCULE-5547837860 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C(C)C)Br)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2971649214 |
0.64 |
CC(OC1CC2C(C3C(CC=2)C2CC4C(C(=O)C)(C2(C)CC3)O4)(C)CC1)=O
|
|
| MCULE-2095449953 |
0.64 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)C1O2
|
|
| MCULE-1159937489 |
0.64 |
C(CCl)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-8270116982 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8383342390 |
0.64 |
CC(CCCC(C1C2(C)C(C3C(CC2)C2(C)C(CC(OC(COCC(OC4CC5C(C6C(CC=5)C5C(C(C(CCCC(C)C)C)CC5)(C)CC6)(C)CC4)=O)=O)CC2)=CC3)CC1)C)C
|
|
| MCULE-2016791403 |
0.64 |
C(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5(C(C)=O)[C@@]([H])(C[C@@]4([H])[C@]3([H])CC=C2C1)O5)(=O)C
|
|
| MCULE-3696298012 |
0.64 |
O=C(C(F)(F)F)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-1726017976 |
0.64 |
C1C(C2(C3CCC4(C(C3(C)C(OC(=O)C)CC2C(C1O)(C)C)=CCC4C1COC(C(C)(O)C)C(O)C1)C)C)OC(=O)C
|
|
| MCULE-5897713249 |
0.64 |
C(CBr)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-4355449378 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(CC)Br)=O
|
|
| MCULE-1659038217 |
0.64 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C(C(C)C)Br)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-1172054424 |
0.64 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)[C@@H]1O2
|
|
| MCULE-6896548973 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CC)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1488736836 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C(C#N)C#N)C2C(C)=O
|
|
| MCULE-1728259151 |
0.64 |
C1=CC(OC(C(O)CCCCC)C1)CCCCCCC(=O)O
|
|
| MCULE-7448178395 |
0.64 |
[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
|
|
| MCULE-7025667843 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C(C)C)Cl
|
|
| MCULE-4712498553 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C(CC)Br)=O
|
|
| MCULE-1369147799 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=NO
|
|
| MCULE-3183629646 |
0.64 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| MCULE-3933385900 |
0.64 |
[C@]12(C(C)=O)[C@H](O1)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H]
|
|
| MCULE-8587814356 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3400915813 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C(CC)Cl)=O
|
|
| MCULE-4793681995 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-1720134200 |
0.64 |
C(CI)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-7508700654 |
0.64 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(OO)C(C)=O
|
|
| MCULE-2146538095 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C(C)C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9088951308 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C(C)C)Cl
|
|
| MCULE-9801536119 |
0.64 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MCULE-5949800550 |
0.64 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2OC(=O)C
|
|
| MCULE-8292530097 |
0.64 |
O1C[C@@]21[C@@]1([H])[C@H](O)[C@@H](OC(=O)C)[C@]2(C)[C@]2(COC(C)=O)[C@]([H])(O1)C=C(C)CC2
|
|
| MCULE-9289500370 |
0.64 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-5390730136 |
0.64 |
O1C2(CCC=C(C(OCC)=O)C2)OCC1
|
|
| MCULE-5562805253 |
0.64 |
CC(C=C1CC(C2CC2)OC1)O
|
|
| MCULE-8924549531 |
0.64 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
|
|
| MCULE-9960917770 |
0.64 |
[C@H]1(/C=C/[C@](O)(C)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
|
|
| MCULE-8274191901 |
0.64 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
|
|
| MCULE-5092604458 |
0.64 |
CC1OCC(C2CCCCC=2)(O)CC1
|
|
| MCULE-5192807992 |
0.64 |
[C@@H]1(C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](O)(C(=O)C=CC(C)(C)OC(=O)C)C)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O)O
|
|
| MCULE-7414589561 |
0.64 |
[C@H]1(O)C[C@]2([H])C(C(C)(C)C1=O)=CC[C@]1([H])[C@]2(C(=O)C[C@@]2([C@@]([H])([C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C)[C@@H](C[C@@]12C)O)C)C
|
|
| MCULE-1022445986 |
0.64 |
C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C
|
|
| MCULE-4274335769 |
0.64 |
C1[C@H](C)OC(=O)C=1C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1
|
|
| MCULE-1414318418 |
0.64 |
O1C(=O)C(C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCC)O2)=C[C@@H]1C
|
|
| MCULE-3449642272 |
0.64 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-8354691781 |
0.64 |
[C@H]1(O)C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@](O)(C)C(=O)C=CC(C)(C)OC(C)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O
|
|
| MCULE-8347662463 |
0.64 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C
|
|
| MCULE-3176715940 |
0.64 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-3402569698 |
0.64 |
C1C2COC(=O)C2C(C(O)=O)C(C)C=1
|
|
| MCULE-8469102313 |
0.64 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-1835452878 |
0.64 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-5985294452 |
0.64 |
C12COC(C(CCC)O)C=1C(O)C(O)C(O)C2O
|
|
| MCULE-4246019761 |
0.64 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-4509171836 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CC=C2C#N)C)OC(C)=O
|
|
| MCULE-2041000423 |
0.64 |
[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1(C)C[C@@H](/C/3=C(/CC/C=C(/C)\C)\C(O)=O)OC(C)=O)[C@@]1(C)C=CC([C@@H](C)[C@@]1([C@H](OC(C)=O)C2=O)[H])=O
|
|
| MCULE-9414880096 |
0.64 |
C1(CC2C=CC(O2)C1)=CC(OC)=O
|
|
| MCULE-1873003390 |
0.64 |
C12(CC34C(C5C(CCC3(C)O)C(C(=O)O5)=C)C1(C)C=C4)C(=O)OC1C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21
|
|
| MCULE-3743818837 |
0.64 |
C1=C(CO)C(C(OC(=O)CC(C)C)C(C1O)C(C)C)=O
|
|
| MCULE-2867849826 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)(C)C
|
|
| MCULE-9600703174 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
|
|
| MCULE-5578038643 |
0.64 |
O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
|
|
| MCULE-6232894708 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C=CC3C4C=CC=CC=4C=C4C=CC=CC=34)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6651693585 |
0.64 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-3117365017 |
0.64 |
CC1[C@@H]2[C@H]3OC(=O)[C@]4([C@@]5(C)[C@H]6[C@@H]7OC(=O)C(=C)[C@@H]7CC[C@](O)(C)[C@@]6(C=C5)C4)[C@@H]3[C@@H](OC(C)=O)C[C@](O)(C)[C@@H]2CC=1
|
|
| MCULE-7619848570 |
0.64 |
C1CC2(C)C3C(CCC2CC1OC1OC(C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)CO)C1(O)CC/C(=C2/CC(OC/2)=O)/C1(C)CC3
|
|
| MCULE-9544967893 |
0.64 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-1292912968 |
0.64 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MolPort-044-559-309 |
0.64 |
CCOC(=O)C1=CCCC2(C1)OCCO2
|
|
| MolPort-001-741-129 |
0.64 |
CC1=C(CCC(O)=O)[C@@](C)(O)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-001-739-415 |
0.64 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]11CO1
|
|
| MolPort-008-268-188 |
0.64 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1
|
|
| MolPort-027-640-943 |
0.64 |
CCCCC[C@@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
|
|
| MolPort-027-640-907 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
|
|
| MolPort-035-705-917 |
0.64 |
CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CC[C@@H]12
|
|
| MolPort-039-141-792 |
0.64 |
CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
|
|
| MolPort-002-512-660 |
0.64 |
C[C@H]1C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)CCC(O)=O)O[C@]11CCC(C)CO1
|
|
| MolPort-020-005-825 |
0.64 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
|
|
| MolPort-044-562-376 |
0.64 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-701-786 |
0.64 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-001-739-739 |
0.64 |
CC1C2C(O)C(=O)C3(C)C(CCC4\C(C(CC34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)C2(C)CCC1=O
|
|
| MolPort-005-945-347 |
0.64 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-423-222 |
0.64 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-006-069-345 |
0.64 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-035-834-808 |
0.64 |
CC1=CC(CC(C)(C)C1)OC(=O)CC1CCCO1
|
|
| MolPort-001-740-398 |
0.64 |
CC1[C@@H]2CC\C(=C\CC\C(C)=C\[C@H]2OC1=O)C(O)=O
|
|
| MolPort-019-931-867 |
0.64 |
CCCC(O)C1OCC2=C1C(O)C(O)C(O)C2O
|
|
| MolPort-002-520-554 |
0.64 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C#N)[C@@H]3CC=C2C1
|
|
| MolPort-039-138-962 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-039-338-189 |
0.64 |
CC(COC(C)=O)C1=C(O)C(=O)C2=C([C@@H](C[C@H]3C(C)(C)CCC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-035-706-316 |
0.64 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)OC(C)=O
|
|
| MolPort-005-938-522 |
0.64 |
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1
|
|
| MolPort-003-016-601 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C\C1=C2C=CC=CC2=CC2=CC=CC=C12
|
|
| MolPort-002-800-510 |
0.64 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
|
|
| MolPort-002-507-134 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC=C4C#N)[C@@H]3CC=C2C1
|
|
| MolPort-044-755-193 |
0.64 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-943-994 |
0.64 |
C[C@H]1[C@@H]2[C@H](OC(C)=O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MolPort-000-706-450 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C#N)C3CC=C2C1
|
|
| MolPort-005-945-522 |
0.64 |
CC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-046-762-538 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C=CC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-044-183-412 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-002-527-421 |
0.64 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-023-274-276 |
0.64 |
CC12CCC3C(CCC4CC(CCC34C)OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C1(O)CC\C2=C1/COC(=O)C1
|
|
| MolPort-001-742-193 |
0.64 |
COCC1=C2[C@H](C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](OC(C)=O)C23OC1=O)OC(=O)C(C)=C
|
|
| MolPort-005-944-430 |
0.64 |
COC(=O)C1(O)C(CO)=C[C@@H](OC(=O)\C=C\C=C\C=C\C)C2C(C)(C)CCC[C@]12C
|
|
| MolPort-046-596-236 |
0.64 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-509-854 |
0.63 |
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-038-386-730 |
0.63 |
C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-688-886 |
0.63 |
CC(C)(OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1)[C@@H]1CC[C@@](C)(OC(=O)C(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
|
|
| MolPort-000-757-886 |
0.63 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-007-549-417 |
0.63 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-039-338-527 |
0.63 |
C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@]12O[C@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C
|
|
| MolPort-044-561-115 |
0.63 |
CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-690-030 |
0.63 |
COC(=O)C1C(O)C2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-038-386-482 |
0.63 |
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
|
|
| MolPort-046-689-861 |
0.63 |
[Na+].C[C@H](O)[C@H](C)C(O)[C@@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O1
|
|
| MolPort-008-268-177 |
0.63 |
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)C(OC3C(O)C(OC(C)=O)[C@@]2(C)C32CO2)C=C1C
|
|
| MolPort-002-529-183 |
0.63 |
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](OC3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]32CO2)C=C1C
|
|
| MolPort-006-123-446 |
0.63 |
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-039-338-977 |
0.63 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-002-517-105 |
0.63 |
[NH4+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-023-274-269 |
0.63 |
CCC(C)C(=O)OC1C2[C@H](OC(=O)C2=C)\C=C(CO)\CCC=C(CO)[C@@H]1OC(C)=O
|
|
| MolPort-002-506-953 |
0.63 |
C[C@]12CCC3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-412 |
0.63 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-526-048 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-845-372 |
0.63 |
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-510-241 |
0.63 |
CC(=O)OCC(=O)[C@]1(CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-015-135-814 |
0.63 |
CC12CC(CC1(O)C[C@@H]1CCC3(O)C[C@H](O)CCC3(C=O)[C@H]1C2)C1=CC(=O)OC1
|
|
| MolPort-007-549-367 |
0.63 |
CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-510-188 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-139 |
0.63 |
CC12CC[C@H]3[C@@H](CCC(=O)CC(O)CCC3=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-536-709 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-019-699-559 |
0.63 |
CC12CCC3C(CCC4(O)CC(O)CCC34C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-035-706-190 |
0.63 |
CO[C@@H]1OCC2=CC[C@H]3C(C)(C)CCC[C@]3(C)[C@@H]12
|
|
| MolPort-019-699-590 |
0.63 |
CC12CCC3C(CCC(C)(O)C3(C)C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-023-274-368 |
0.63 |
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(CO)[C@]1(C)C21CO1
|
|
| MolPort-046-790-379 |
0.63 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-003-848-012 |
0.63 |
[Na+].CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-886-211 |
0.63 |
CC(=O)OC1CC2CC1C1C=CCC21
|
|
| MolPort-046-762-519 |
0.63 |
CC(=O)O[C@]1(CC[C@@H]2[C@@H]3[C@H]4O[C@H]4C4=CC(=O)[C@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-690-132 |
0.63 |
[Na+].[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-044-204-592 |
0.63 |
CC=CC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-046-067-722 |
0.63 |
C\C=C\C1OCC2(CO)C(C)C=C(C)C1[C@@H]2C
|
|
| MolPort-044-183-474 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-019-937-060 |
0.63 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)=C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
|
|
| MolPort-005-944-980 |
0.63 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C(C(CC(O)=O)C3(C)C(=O)CC12C)C(C)(C)C(O)=O
|
|
| MolPort-046-153-156 |
0.63 |
CC1=C2CC3C(=C)CCC(O)C3(C)CC2(O)OC1=O
|
|
| MolPort-005-945-901 |
0.63 |
CC1C2C(O)C(OC(C)=O)C3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-044-721-499 |
0.63 |
CC(=O)OC1CC(=C)C2CCC(C)=C2CC1(C)C
|
|
| MolPort-001-963-974 |
0.63 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-046-762-296 |
0.63 |
OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
|
|
| MolPort-035-946-559 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
|
|
| MolPort-002-524-438 |
0.63 |
CC(=O)O[C@@H]1CC(=C)[C@@H]2CCC(C)=C2CC1(C)C
|
|
| MolPort-000-208-022 |
0.63 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MCULE-4804864002 |
0.63 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-6089943254 |
0.63 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
|
|
| MCULE-7793896949 |
0.63 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-5675720715 |
0.63 |
[C@@]12(CCC(CC1(O)CCC1C2CC[C@]2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-4385148400 |
0.63 |
OCC1=CC(C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21[H])=O
|
|
| MCULE-4630794584 |
0.63 |
C12(C=O)CC[C@H](CC1(O)CC[C@@]1([H])CC3(C(C)(CC(C3)C3COC(=O)C=3)C[C@]21[H])O)O
|
|
| MCULE-6660850303 |
0.63 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4895972010 |
0.63 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4569544045 |
0.63 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-6747628390 |
0.63 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2962714006 |
0.63 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(O)=O
|
|
| MCULE-7571794100 |
0.63 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2
|
|
| MCULE-4160347351 |
0.63 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-6635928611 |
0.63 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC(OC)=O)(CCC4C3CC=C2C1)OC(C)=O
|
|
| MCULE-8218822760 |
0.63 |
C12CC(C3CC=CC13)CC2OC(C)=O
|
|
| MCULE-8731065773 |
0.63 |
C1(C)=C[C@@]2([H])O[C@]3([H])[C@H](O)[C@@H](OC(=O)C)[C@@](C)(C43CO4)[C@@]2(CO)C[C@@H]1O
|
|
| MCULE-5832467090 |
0.63 |
C(C1C=CC=CC=1)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3C(O)(C)C=C2C1
|
|
| MCULE-9855248525 |
0.63 |
C12(CO)COC(C(C(C)=CC1C)C2C)C=CC
|
|
| MCULE-5455459863 |
0.63 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2=C(C)C1
|
|
| MCULE-9878715932 |
0.63 |
C1(C2(C)C(=O)CC3(C(C2CC=C1C(C)(C)C(O)=O)(C)CC(O)C3C(C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)C)CC(=O)O
|
|
| MCULE-4463956225 |
0.63 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(CO)C1
|
|
| MCULE-2596206534 |
0.63 |
C1C(O)C2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1
|
|
| MCULE-1964134852 |
0.63 |
C12=C(C)CC[C@@]1([H])C(=C)C[C@@H](OC(C)=O)C(C)(C)C2
|
|
| MCULE-1491500449 |
0.63 |
O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
|
|
| MCULE-1138338360 |
0.63 |
CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-9075211166 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@]12CCC(=O)O1)[H]
|
|
| MCULE-4054169015 |
0.63 |
C12=C(C)CCC1C(=C)CC(OC(C)=O)C(C)(C)C2
|
|
| MCULE-1507896508 |
0.63 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](OC(=O)C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C)=O)CO2
|
|
| MCULE-1671560839 |
0.63 |
[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
|
|
| MCULE-8873828930 |
0.63 |
C1=CC2(C)CCC3C(=C)C(=O)OC3C2=C(C)C1=O
|
|
| MCULE-8952317949 |
0.63 |
CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
|
|
| MCULE-9958013133 |
0.63 |
C1CC2C(CCCC)OC(=O)C=2C=C1
|
|
| MCULE-9230575917 |
0.63 |
C12C=C(C)CC(C34C(C)(C)CC3C(C(O4)O1)C2O)OC(=O)C
|
|
| MCULE-8139216985 |
0.63 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)O)C1COC(=O)C=1
|
|
| MCULE-3956523475 |
0.63 |
C1C[C@]2([C@]([H])(C(C)(C)C1)[C@H](OC(=O)/C=C/C=C/C=C/C)C=C1CO[C@@H](O)[C@]21O)C
|
|
| MCULE-1695863761 |
0.63 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-5549887798 |
0.63 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
|
|
| MCULE-8810317888 |
0.63 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1
|
|
| MCULE-4551637584 |
0.63 |
C1CC2(C)C3C(OC)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1OC(=O)C
|
|
| MCULE-7211931015 |
0.63 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(CCC)=O
|
|
| MCULE-1133406846 |
0.63 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-1066490491 |
0.63 |
C1(=C(C)C(OC1=O)(C)C)C(C)(O)C(C)(O)C1=C(C)C(OC1=O)(C)C
|
|
| MCULE-3449742522 |
0.63 |
C1C(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)C)C[C@](O)(C)C=1
|
|
| MCULE-7789504566 |
0.63 |
C12(C)CCC3(C([H])(CC=C4CC(OCCCC)CCC34C)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
|
|
| MCULE-5003752801 |
0.63 |
C1CC2C(CC=C3CC(OCCC)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
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| MCULE-2981823417 |
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C1CC2C(CC=C3CC(OCCC(C)C)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
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| MCULE-1540404527 |
0.63 |
[C@]12(C)CCC3C(CC=C4CC(OCCC)CC[C@]34C)C1CCC2C(C)/C=C/C(CC)C(C)C
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| MCULE-6317272202 |
0.63 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
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| MCULE-1906795397 |
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C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O
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| MCULE-4824233854 |
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C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
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C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](C(CC[C@]22CO2)OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=CC(=O)OC1
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CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(O)=O)C3CC[C@]12C
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCC(O)CO
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CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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| MolPort-039-052-280 |
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CCCCC1OC(=O)C2=C1CCC=C2
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CCCC[C@@H]1OC(=O)C2=C1CCC=C2
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CC(=O)OC1C\C(C)=C/C2OC3OC11C(CC1(C)C)C3C2O
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C\C=C\C=C\C=C\C(=O)O[C@@H]1C=C2CO[C@@H](O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
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CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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COC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C12
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CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
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CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
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CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)=O
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CC1=C(C(=O)OC1(C)C)C(C)(O)C(C)(O)C1=C(C)C(C)(C)OC1=O
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CCCC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
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CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\C=C\C(=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
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COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
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C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
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CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1O
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CCCCCCCC1OC(=O)CCC(O)\C=C\C(O)C1O
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CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
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CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)C12
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C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CBr)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]11CO1
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[Co++].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CC12CC[C@H]3[C@@H](CCC4CC(CCC34C)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
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C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C#N)C1(O)CCC2C1=CC(=O)OC1
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C[C@]12CCC3C(CCC4CC(CC[C@]34C)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
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CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
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CC(=O)OC[C@]12C[C@H](O)C(C)=CC1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1
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CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1
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CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]1(O)[C@@H]2O
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CCCC(Br)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
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CC1CC2(OC(C)=O)C(\C=C(C)\C(O)CC3C(\C=C(C)\C2=O)C3(C)C)C1O
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C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C#N)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CCCC(Br)C(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
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COC1CCC(CC1)OC(=O)C=CC1CC1
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CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C#N)C1(O)CCC2C1=CC(=O)OC1
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CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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C\C=C(/C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
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C\C=C(/C)C(=O)OC[C@@]12[C@H](C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1)OC(C)=O
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CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)[C@@H]3C(=C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(=O)\C=C\C1=CC=CC=C1
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CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@@]1(O)[C@H]2O
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C[C@]12CCC3C(CC[C@@]4(O)C[C@@H](O)CC[C@]34C#N)[C@]1(O)CC[C@H]2C1=CC(=O)OC1
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CCCC(Br)C(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C11CO1
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CC1C2C(O)CC3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
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OCCNCCO.C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
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COC(=O)[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC[C@]12O)C1=CC(=O)OC1
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CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
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CC1=CC[C@H](OC1=O)C(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@]12CO3
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CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C21O
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CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3(O)CC12C
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CCCCCCCC(=O)OC1C(OC(=O)C(\C)=C\C)C(C)=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(C)=O)C12)OC(=O)CCC
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CCCCCC(=O)OC1C(OC(=O)C(\C)=C\C)C(C)=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(C)=O)C12)OC(=O)CCC
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C[C@@H]1[C@@H](O)[C@H]2[C@H](C=C([C@H]3C[C@@H]4[C@H]([C@H]23)[C@H]2C(=O)O[C@@H]3CC[C@@]4(C)O[C@]2(O)[C@@H]3C)C(O)=O)[C@H]1OC(C)=O
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CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C\C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
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CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
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CC1CC(CCC=C(C)C)=CCC1COC(C)=O
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CC1C=C(C)C2[C@H](C)C1COC21CCCC1
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CC1C=C(C)C2C(C)C1COC21CCCC1
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CC1CCC2(O1)C(C)=CCCC2(C)C
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CC12CCC3C(CCC4CC(CCC34C)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C1(O)CC\C2=C1/COC(=O)C1
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CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CC=C3C2)C2=CC(=O)OC2)O[C@@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
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CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
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CC12CCC3C(CC=C4CC(CCC34C)OC(=O)\C=C/C3=CC=CC=C3)C1CCC2=O
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CC(=O)OC\C=C(\C)/C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C
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CC(\C=C\C(C)C1CCC2C3=CC4OC3(CCC12CO)C1(C)C2OC2C2OC2C41O)C(C)C(O)=O
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C[C@@H]1CC[C@H]2C(C)=C[C@@]3(O)O[C@@]12CC3=C(C)C
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C[C@H]1[C@@H]2CC[C@@]3(C)O[C@]33CC=C(C)C3[C@H]2OC1=O
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C[C@H]1CC[C@H]2C(C)=C[C@@]3(O)O[C@@]12CC3=C(C)C
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COC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(O)C(O)CCCCC1=C(C)C(=O)OC1
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COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@H](COC(C)=O)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O
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0.62 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(Cl)=O
|
|
| MolPort-002-526-754 |
0.62 |
CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-740-427 |
0.62 |
COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CCC4C3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)OC(C)C1O
|
|
| MolPort-020-005-732 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-007-549-434 |
0.62 |
COC1CC(OC2CCC3(C)C(CC[C@@H]4[C@@H]3CCC3(C)C(C(CC43O)OC(C)=O)C3=CC(=O)OC3)C2)OC(C)C1O
|
|
| MolPort-002-530-162 |
0.62 |
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O
|
|
| MolPort-028-610-046 |
0.62 |
C\C=C\C=C\C=C\C(=O)O[C@@H]1C=C(CO)C(O)(C(O)=O)[C@@]2(C)CCCC(C)(C)[C@H]12
|
|
| MolPort-035-706-459 |
0.62 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
|
|
| MolPort-035-706-398 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-384 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-000-842-324 |
0.62 |
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(CC43O)OC(C)=O)C3=CC(=O)OC3)C2)OC(C)C1O
|
|
| MolPort-046-158-505 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-028-599-897 |
0.62 |
CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O
|
|
| MolPort-002-509-853 |
0.62 |
CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-019-936-748 |
0.62 |
C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)OC1O
|
|
| MolPort-027-853-654 |
0.62 |
CC(O)\C=C\C1(O)C2(C)COC1(C)CC(O)C2
|
|
| MolPort-039-033-008 |
0.62 |
CCCCCCC\C=C1\CC(=O)OC1=O
|
|
| MolPort-042-675-333 |
0.62 |
CCC\C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](\C=C(C)\C(=O)[C@]3(C[C@@H](C)[C@H](O)[C@@H]3\C=C1/C)OC(C)=O)C2(C)C
|
|
| MCULE-9972205159 |
0.62 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(COC(/C(=C/C)/C)=O)[C@@]2(CO2)C1
|
|
| MCULE-6290890593 |
0.62 |
CCC(C(OC1C2C(C=CC(C2CCC(CC(CC(=O)[O-])O)O)C)=CC(O)C1)=O)C
|
|
| MCULE-7130271718 |
0.62 |
COC1CCC(OC(C=CC2CC2)=O)CC1
|
|
| MCULE-6517626137 |
0.62 |
O(C(=O)/C(=C/C)/C)C1C(C)=C2C3OC(C(C3(O)C(CC(C2C1OC(CCCCC)=O)(OC(C)=O)C)OC(=O)CCC)(C)O)=O
|
|
| MCULE-3806067009 |
0.62 |
[C@H]1(OC(=O)CCC)C[C@](C)(OC(=O)C)[C@@]2([H])[C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)/C(/C)=C\C)C(C)=C2[C@@H]2OC(=O)[C@](O)(C)[C@@]12O
|
|
| MCULE-9641361394 |
0.62 |
[C@@H]12OC(=O)[C@](O)(C)[C@@]1(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@]1([H])[C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)C(C)=CC)C(C)=C12
|
|
| MCULE-4276889182 |
0.62 |
[C@]12([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(C)=CC)C(C)=C1[C@]1([H])OC(=O)[C@](O)(C)[C@]1([C@@H](OC(=O)CCC)C[C@]2(C)OC(=O)C)O
|
|
| MCULE-5275177846 |
0.62 |
C12([H])C(C)(OC(=O)C)CC(OC(=O)CCC)C3(O)C(C(=O)OC3([H])C1=C(C(OC(=O)C(C)=CC)C2OC(=O)CCCCCCC)C)(O)C
|
|
| MCULE-8920532684 |
0.62 |
[C@]12(O)[C@H](C)[C@@]3([H])CC[C@@](C)(O1)[C@]1([C@]([H])([C@@]4([H])[C@@](C1)([H])C(C(O)=O)=C[C@]1([H])[C@H]([C@H](C)[C@@H](O)[C@]41[H])OC(C)=O)[C@@]2([H])C(O3)=O)[H]
|
|
| MCULE-1371851391 |
0.62 |
C12C(=O)OC(O)C=1CC(OC)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-5872033859 |
0.62 |
C1CC2(C)C3(O)C(O)OC(=O)C3=CCC2C(C)(C)C1
|
|
| MCULE-9832397249 |
0.62 |
C1C(OC(C)=O)C2(C(CC3C(O)(C2)OC(=O)C=3C)C(=C)C1)C
|
|
| MCULE-1838518608 |
0.62 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C
|
|
| MCULE-1707790411 |
0.62 |
O=C1OC2C(CCC(=CCCC3(C(CCC(=C2)C)O3)C)C)=C1C
|
|
| MCULE-4464120365 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-8917149750 |
0.62 |
CC1(C2(OC(C)CC2)C(C)=CCC1)C
|
|
| MCULE-5462014053 |
0.62 |
C1(C)=CC(C)C2C(C)C1C1(CCCC1)OC2
|
|
| MCULE-6799150619 |
0.62 |
C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O
|
|
| MCULE-3354217980 |
0.62 |
O(C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](C[C@H](O[C@@H]3CC4=CCC5[C@@]6(O)CC[C@H](C7COC(=O)C=7)[C@@]6(C)CCC5[C@@]4(C)CC3)O[C@H]2C)OC)O1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
|
|
| MCULE-4757640431 |
0.62 |
O(C1CC2C(CC1)(C)C1CCC3(C)/C(/CCC3(O)C1CC2)=C1\CC(=O)OC\1)C1OC(C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)CO
|
|
| MCULE-7264992526 |
0.62 |
C12OC1C1(C)C34OC(C=C3C3CCC(C(/C=C/C(C)C(C)C(=O)O)C)C3(CO)CC4)C1(O)C1OC21
|
|
| MCULE-3130495610 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(=O)C=CC1=CC=CC=C1
|
|
| MCULE-4112378800 |
0.62 |
[C@@]123CC=C(C)C1[C@@H]1[C@@H](CC[C@]2(O3)C)[C@@H](C(=O)O1)C
|
|
| MCULE-1112320682 |
0.62 |
[C@@]12([H])CC[C@H](C)[C@@]31O[C@](O)(C=C2C)/C(=C(\C)/C)/C3
|
|
| MCULE-5189438807 |
0.62 |
C1(C(C(/C=C(/C)\CCC2OC(=O)C=C2C)=O)C(C(C(C(O)/C=C(/C)\C)=O)C)CC1)C
|
|
| MCULE-2596917539 |
0.62 |
C123OC(O)(C=C(C)C1CCC2C)/C(=C(/C)\C)/C3
|
|
| MCULE-1324256010 |
0.62 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3=CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)OC(C)=O
|
|
| MCULE-8156015889 |
0.62 |
[C@@H]1(C)[C@]23O[C@](O)(C=C(C)[C@]2([H])CC1)/C(=C(\C)/C)/C3
|
|
| MCULE-8304329300 |
0.62 |
[C@@]12([H])CC[C@@H](C)[C@@]31O[C@](O)(C=C2C)/C(=C(\C)/C)/C3
|
|
| MCULE-1099676593 |
0.62 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)Cl)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-5759900991 |
0.62 |
ClC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C=CC(CC)C(C)C)CCC4C3CC=C2C1
|
|
| MCULE-5047458422 |
0.62 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(=O)Cl)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
|
|
| MCULE-7577519245 |
0.62 |
C1(=O)C(C)=C(CO1)CCCCC(O)C(C)O
|
|
| MCULE-9512042267 |
0.62 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
|
|
| MCULE-2780089397 |
0.62 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-4652104758 |
0.62 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(CO)=C3C[C@@]3([H])[C@H](COC(=O)C)[C@H]5C[C@H]5[C@]3(C)[C@]4([H])CC3=C2[C@](C)([C@@H]2C[C@@H]23)[C@@H](O)C\1=O
|
|
| MCULE-6934635209 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C
|
|
| MCULE-8789756191 |
0.62 |
C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
|
|
| MCULE-7787476367 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)[C@@H](OC(C)=O)C[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1
|
|
| MCULE-4909295164 |
0.62 |
C12C(OC(C)=O)CC3C(CCCC3(C)C)C=1C(C(O)=C(C(C)C)C2=O)=O
|
|
| MCULE-4571932730 |
0.62 |
C12(O)CC(C(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(OC)C(C(C)O1)O)C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-8747175999 |
0.62 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@H]([C@H](C)O1)O)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-3556278569 |
0.62 |
O1C2(CCC(C(OCC)=O)=C(C)C2)OCC1
|
|
| MCULE-2664331339 |
0.62 |
C1C2(C)COC(C)(C2(O)/C=C/C(C)O)CC1O
|
|
| MCULE-3036206485 |
0.62 |
C1CCC=CC=CCC(C)OC(=O)C=CCC(O)C1
|
|
| MCULE-9285741650 |
0.62 |
C1C[C@@]2(C([C@@H](C[C@@H](C)[C@]2(O)CCC2=CC(=O)OC2O)O)[C@@](C)(CO)C1)C
|
|
| MCULE-6390957697 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-1802116837 |
0.62 |
CC(OC1CC2C(C)(C3C(CC=2)C2CC=C(I)C2(C)CC3)CC1)=O
|
|
| MCULE-9841786738 |
0.62 |
[C@@]12([H])C=C(C)[C@H](OC(/C=C/C=C/CCC)=O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]1(OC(C)=O)C[C@@H](C)[C@@H]2O
|
|
| MCULE-3860907328 |
0.62 |
C1=CC2(OC)CCC1CC2CC(OCC)OCC
|
|
| MCULE-7768798034 |
0.62 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
|
|
| MCULE-3918182667 |
0.62 |
C12OC1CC(C(=O)OCC)=CC2OC(CC)CC
|
|
| MCULE-8228471643 |
0.62 |
O1[C@@H]2[C@H]1[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
|
|
| MCULE-2480467856 |
0.62 |
O=C1C=CC2(CCC32C=CC(=O)O3)O1
|
|
| MCULE-8183332147 |
0.62 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(C)C
|
|
| MCULE-8961282760 |
0.62 |
C1C=C(C)C(=O)C=CC(C)(C)C2C=C(C1)C(=O)O2
|
|
| MCULE-2237975878 |
0.62 |
[C@]12(OC(=O)C=C1)[C@@]1(C=CC(=O)O1)CC2
|
|
| MCULE-3653619374 |
0.62 |
C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O
|
|
| MCULE-3700642394 |
0.62 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@@H]1CCC=2C
|
|
| MCULE-7738893054 |
0.62 |
[Na+].C12=C[C@@H](O)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
|
|
| MCULE-8752496358 |
0.62 |
[O-]C(=O)C[C@H](O)C[C@H](O)CC[C@@H]1[C@]2([H])C(=C[C@@H](O)C[C@@H]2OC(=O)[C@@H](C)CC)C=C[C@@H]1C.[Na+]
|
|
| MCULE-5372325704 |
0.62 |
[Na+].CCC(C(OC1C2C(C=CC(C2CCC(CC(CC(=O)[O-])O)O)C)=CC(O)C1)=O)C
|
|
| MCULE-4461071719 |
0.62 |
OC1(C2CCOCC2)C2C=CC(C2)C1
|
|
| MCULE-6133704295 |
0.62 |
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCCOC)[C@@H](O)C[C@H]1O
|
|
| MCULE-9629198289 |
0.62 |
CC(C=C(CC1OCCC1)C)O
|
|
| MCULE-3228172357 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1OC(CCC(C)COC(C)=O)=C(C)C21
|
|
| MCULE-7458976787 |
0.62 |
C12(C(C)OC(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-7515529172 |
0.62 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
|
|
| MCULE-3223183548 |
0.62 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-2255903955 |
0.62 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O
|
|
| MCULE-4974199679 |
0.62 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-7300323309 |
0.62 |
C1CC(C)(C)C2C(C1)(C1(C(COC1=O)=CC2OC(/C=C/C=C/C(OC)=O)=O)O)C
|
|
| MCULE-2008303454 |
0.62 |
C1CC(C)(C)C2C(C1)(C1(C(COC1=O)=CC2OC(/C=C/C=C/C=O)=O)O)C
|
|
| MCULE-7018745208 |
0.62 |
C1CC(C)(C)C2[C@@](C1)(C)[C@]1(C(=O)OCC1=C[C@H]2OC(/C=C/C=C/C(O)=O)=O)O
|
|
| MCULE-5833293582 |
0.62 |
C12(C(OCC1=C[C@@H](OC(=O)/C=C/C=C/C)[C@]1(C(CCC[C@]21C)(C)C)[H])=O)O
|
|
| MCULE-3099268900 |
0.62 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-8879489618 |
0.62 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1
|
|
| MCULE-7017938550 |
0.62 |
C1C=C(C)CC2(O)OC(=O)C(=C2CC=C(C)C1)C
|
|
| MCULE-3280168913 |
0.62 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-7514955649 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC(=C2C1)F
|
|
| MCULE-8650423250 |
0.62 |
CC1OCCC(=CC(OC(C)(C)C)=O)C1
|
|
| MCULE-3821215089 |
0.62 |
C1C[C@@]2([C@]3(COC(/C(=C/C)/C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-5595198949 |
0.62 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(OC)=O
|
|
| MCULE-4072737339 |
0.62 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)CC2C(C)(CO)C1
|
|
| MCULE-7117182009 |
0.62 |
OC(=O)C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@H](C[C@@H]2OC(=O)[C@H](CC)C)O)C=C[C@@H]1C)O)O
|
|
| MCULE-5582341030 |
0.62 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)O)C#N
|
|
| MCULE-9320823035 |
0.62 |
C([C@H]1[C@H](C=CC2=C[C@@H](O)C[C@H](OC(=O)[C@@H](C)CC)[C@]12[H])C)C[C@@H](O)C[C@@H](O)CC(=O)O
|
|
| MCULE-9654942913 |
0.62 |
C12(CO1)[C@@]1([H])[C@@H]([C@@H](OC(C)=O)[C@]2(C)[C@@]2([C@@]([H])(C=C([C@@H](O)C2)C)O1)COC(C)=O)O
|
|
| MCULE-8663661247 |
0.62 |
C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
|
|
| MCULE-9171564730 |
0.62 |
[C@@]12(C)[C@H](OC(C)=O)[C@@H](O)[C@@]([H])(O[C@]3([H])C=C(C)[C@@H](O)C[C@]13COC(C)=O)[C@@]12CO1
|
|
| MCULE-7798689787 |
0.62 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C#N
|
|
| MCULE-4091243013 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCC)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MolPort-023-220-504 |
0.62 |
CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
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|
| MolPort-005-942-516 |
0.62 |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
|
|
| MolPort-005-940-267 |
0.62 |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H]2O[C@H]2C1
|
|
| MolPort-046-765-219 |
0.62 |
CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
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|
| MolPort-002-510-172 |
0.62 |
CC(C)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-001-742-756 |
0.62 |
C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-001-741-261 |
0.62 |
C\C1=C/CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-020-006-010 |
0.62 |
O=C1O[C@@]2(CC[C@@]22OC(=O)C=C2)C=C1
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|
| MolPort-027-640-876 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(C)C
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|
| MolPort-009-019-637 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
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|
| MolPort-003-849-962 |
0.62 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-042-675-412 |
0.62 |
C[C@@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(CO)=CC3=O
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|
| MolPort-023-219-582 |
0.62 |
[Na+].CC[C@H](C)C(=O)OC1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-792-772 |
0.62 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1CC(C)(O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-885-849 |
0.62 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-006-395-743 |
0.62 |
[Na+].[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-690-129 |
0.62 |
[Na+].C[C@@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-689-946 |
0.62 |
[Na+].CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-001-742-636 |
0.62 |
C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-027-640-910 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCOC
|
|
| MolPort-044-755-196 |
0.62 |
CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-002-510-346 |
0.62 |
CC(CCC1=C(C)C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(C)=O)O1)COC(C)=O
|
|
| MolPort-000-716-448 |
0.62 |
CC(CCC1=C(C)C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC(C)=O)O1)COC(C)=O
|
|
| MolPort-006-668-483 |
0.62 |
CC(C1CCC(C)(O1)C=C)C(=O)OC\C(C)=C/CCC(C)(O)C=C
|
|
| MolPort-046-418-658 |
0.62 |
CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-001-936-600 |
0.62 |
CC(OC(C)=O)C12OC1CC1C3CC=C4CC(CCC4(C)C3CCC21C)OC(C)=O
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|
| MolPort-002-507-204 |
0.62 |
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
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|
| MolPort-046-148-587 |
0.62 |
CCCC1CC=CC(=O)O1
|
|
| MolPort-010-699-798 |
0.62 |
C[C@@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@H]2OC1=O
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|
| MolPort-001-739-626 |
0.62 |
CC1(C)CCC[C@@]2(C)C1[C@H](OC(=O)\C=C\C=C\C(O)=O)C=C1COC(=O)[C@]21O
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|
| MolPort-046-697-405 |
0.62 |
CCC\C=C\C1OCC2=C(C(O)C(O)C3(O)CC(OC23)C(C)(C)O)C1O
|
|
| MolPort-001-739-598 |
0.62 |
CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C=C\C=O)C=C1COC(=O)C21O
|
|
| MolPort-003-351-312 |
0.62 |
CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O
|
|
| MolPort-046-765-459 |
0.62 |
C[C@]12C[C@H]3O[C@]33C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](CC1=CC(=O)CC[C@@]31C)C(O)=O
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|
| MolPort-039-338-289 |
0.62 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(C3OC(=O)C(\C=C\[C@@H]4C(=C)CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]45C)=C3)C3=CCOC3=O)C(=C)CC[C@H]12
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|
| MolPort-000-700-683 |
0.62 |
C[C@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-021-804-807 |
0.62 |
COC(=O)\C=C\C=C\C(=O)OC1C=C2COC(=O)C2(O)C2(C)CCCC(C)(C)C12
|
|
| MolPort-028-610-026 |
0.62 |
C\C=C\C=C\C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12
|
|
| MolPort-046-158-462 |
0.62 |
CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(=O)\C=C\C4=CC=CC=C4)C(=C)[C@@H]13)C2(C)C
|
|
| MolPort-046-510-442 |
0.62 |
O=C1OC(=O)C2=C1CCCCCC2
|
|
| MolPort-039-338-545 |
0.62 |
CC1=C2C\C=C(C)\CC\C=C(C)\CC2(O)OC1=O
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|
| MolPort-005-945-979 |
0.62 |
CC(=O)O[C@H]1C[C@H]2C[C@@H]3C(=C)[C@H](C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(=O)\C=C\C1=CC=CC=C1
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|
| MolPort-019-931-805 |
0.62 |
CC1(C)CC2C=C(C3COC(=O)C(O)(CO)C23C1)C(O)=O
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|
| MolPort-035-706-286 |
0.61 |
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)[C@@H]1O
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| MolPort-008-346-698 |
0.61 |
CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
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|
| MolPort-046-682-866 |
0.61 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCC(N)(CO)CO
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|
| MolPort-035-706-229 |
0.61 |
CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@]2(O)OC1=O
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|
| MolPort-044-811-198 |
0.61 |
CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
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|
| MolPort-039-338-711 |
0.61 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)(C)O
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|
| MolPort-044-754-157 |
0.61 |
CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1
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|
| MolPort-001-742-395 |
0.61 |
CO[C@@H]1[C@@H](OC(=O)C(C)C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O
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|
| MolPort-019-936-891 |
0.61 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC
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|
| MolPort-005-944-095 |
0.61 |
C[C@@H](O)[C@H](OCCC1=CC(=O)OC1)\C=C\C=C/C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1
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|
| MolPort-002-834-775 |
0.61 |
CC1=CC2(C)C(OC1=O)C1OC(=O)C(C)=CC21C
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|
| MolPort-005-945-415 |
0.61 |
COC1C=C(COC(=O)C2=CC=CC=C2)C(O)C(OC(=O)C2=CC=CC=C2)C1O
|
|
| MolPort-002-527-976 |
0.61 |
CCCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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|
| MolPort-000-770-438 |
0.61 |
CCCCCCCCCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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|
| MolPort-028-747-951 |
0.61 |
CCCCCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-596-354 |
0.61 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)OCCCCCCC
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|
| MolPort-028-747-963 |
0.61 |
CCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-028-747-972 |
0.61 |
CCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-510-465 |
0.61 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)OCCC(C)C
|
|
| MolPort-028-747-982 |
0.61 |
CCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-028-747-991 |
0.61 |
CCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-530-368 |
0.61 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)OCCCCCC
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| MolPort-044-724-409 |
0.61 |
CCOC(=O)OC1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-793-856 |
0.61 |
CCCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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|
| MolPort-003-701-118 |
0.61 |
CCCCCCCCCCCCCCCCCOC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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|
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0.61 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)OCC(C)CC
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|
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0.61 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)OCCC(C)C
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|
| MolPort-002-501-668 |
0.61 |
CCCCCCCC\C=C/CCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
| MolPort-002-131-951 |
0.61 |
CCC(=O)OC1CC(=C)C2CCC(C)=C2CC1(C)C
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| MolPort-002-509-857 |
0.61 |
CCC(=O)O[C@@H]1CC(=C)[C@@H]2CCC(C)=C2CC1(C)C
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|
| MolPort-002-501-579 |
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CCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
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0.61 |
CCC(C)COC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCCCCCCCOC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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| MolPort-003-855-504 |
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)OCC(C)CC
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|
| MolPort-003-855-543 |
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CCCCCCCCCCOC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCCCCCCCCCOC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)OCCC(C)C
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CCCCCCCCOC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)OCCCCCC
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COC(=O)C1=CCCC(O)C1
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CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)OCCCCCCC
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CCCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CCCCCCCCOC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)C(C\C=C3/[C@@H](COC3=O)OC(C)=O)C(=C)CCC12)OC(C)=O
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CC1CC\C=C(C)\CC2(O)OC(=O)C(C)=C2CC1=O
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| MolPort-005-944-999 |
0.61 |
C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@H](C\C(C)=C/C(=O)/C=C1\C)OC(=O)C2=C
|
|
| MolPort-046-764-838 |
0.61 |
[Na+].CCC(C)(C)C(=O)O[C@H]1CC(CO)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-514-788 |
0.61 |
CCOC(=O)CC(C)(O)[C@@]12O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(C)=O
|
|
| MolPort-046-765-474 |
0.61 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-023-274-376 |
0.61 |
CC(O)C(C)CCCCCC1OC(=O)C=C1
|
|
| MolPort-023-274-302 |
0.61 |
CCC(C)(O)CCCCCC1OC(=O)C=C1
|
|
| MolPort-046-690-131 |
0.61 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-028-610-180 |
0.61 |
COC1OC(=O)C(=C1)[C@@H]1CC=C2[C@@]1(C)CCC1[C@@]3(C)C=CC(=O)C(C)(C)C3C[C@@H](OC(C)=O)[C@@]21C
|
|
| MCULE-3847929030 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)[C@@H](OC(=O)C)C[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1
|
|
| MCULE-4660404446 |
0.61 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(C)CC)C4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-9977303983 |
0.61 |
C[C@]12C[C@]3([H])O[C@]([H])([C@@H](O)C(O)(C)C)C[C@@H](C)C3=C1C[C@H](O)[C@@]1([H])[C@]3(CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)C
|
|
| MCULE-7082050674 |
0.61 |
CC([C@@H]([C@H]1O[C@H]2C[C@@H]3[C@]4(CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)CC3=C2C(C)(C)C1)C)O)(O)C
|
|
| MCULE-2476844831 |
0.61 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1
|
|
| MCULE-6259050360 |
0.61 |
[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
|
|
| MCULE-4414165606 |
0.61 |
C1C(C(C(OC(=O)C2C=CC=CC=2)C(O)C=1COC(C1C=CC=CC=1)=O)O)OC
|
|
| MCULE-6449749404 |
0.61 |
[C@H]12[C@@H](C=C(C)CCC=C(C=O)[C@H](OC)[C@H]1OC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-2908969686 |
0.61 |
C1(=C[C@@]2([H])O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@@H](OCCC4=CC(=O)OC4)[C@@H](C)O)[C@@]([C@]43OC4)([C@@]2(CO)CC1)C)C
|
|
| MCULE-6664839966 |
0.61 |
C12(C)C=C(C)C(OC1C1C2(C)C=C(C(=O)O1)C)=O
|
|
| MCULE-5154077857 |
0.61 |
C(C1C=CC=CC=1)(=O)OC1CCC2(C)C(=C1)CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
|
|
| MCULE-9681297375 |
0.61 |
C1=CC2C=CC3C(C=C2)C1C(=O)O3
|
|
| MCULE-9964219899 |
0.61 |
C12(C)CCC3(C4(C)CCC(OC(OCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])[H]
|
|
| MCULE-5121010239 |
0.61 |
C1(CC2CCC(O2)C1)=CC(OC)=O
|
|
| MCULE-1961244385 |
0.61 |
C12=C(C)CCC1C(=C)CC(OC(CC)=O)C(C)(C)C2
|
|
| MCULE-3889003429 |
0.61 |
CCCCCCCCCOC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-7149688940 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(OCCCCCCCCCC)=O
|
|
| MCULE-8624228699 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCCC)=O
|
|
| MCULE-4658579275 |
0.61 |
C(OCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-8563521625 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(OCC(C)CC)=O
|
|
| MCULE-3358464796 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(OCCCCCCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7029500651 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(OCCCCCCC)=O
|
|
| MCULE-6927338637 |
0.61 |
C12(C)CCC3(C4(C)CCC(OC(OCCCCCCCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])[H]
|
|
| MCULE-6810524176 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(OCCC(C)C)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3676533386 |
0.61 |
CCCCCCOC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-8296958562 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(OCC(C)CC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4369465090 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(OCCCCCCCC)=O
|
|
| MCULE-7087268888 |
0.61 |
C12=C(C)CC[C@@]1([H])C(=C)C[C@@H](OC(CC)=O)C(C)(C)C2
|
|
| MCULE-2125546207 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(OCCC(C)C)=O
|
|
| MCULE-2883299830 |
0.61 |
CCCCCCCCOC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-3179412226 |
0.61 |
CCCCCCCOC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-5278298878 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(OCCCCCC)=O
|
|
| MCULE-3637277082 |
0.61 |
O=C(OCC(CC)CCCC)OC1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-8169764994 |
0.61 |
O=C(OC1CCC2(C)C3CCC4(C)C(C(C)CCC(C)C)CCC4C3CC=C2C1)OC1CCC2(C)C3CCC4(C(CCC4C3CC=C2C1)C(C)CCCC(C)C)C
|
|
| MCULE-9714807593 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1(C)C)=CC=C1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
|
|
| MCULE-8876063223 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-8094527781 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCCCC)=O
|
|
| MCULE-2217650928 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCCC)=O
|
|
| MCULE-5586819307 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(OCCC(C)C)=O
|
|
| MCULE-3881016928 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-5417022236 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCCCC)=O
|
|
| MCULE-4850866515 |
0.61 |
CCCCCCCCCCCCOC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-6481413773 |
0.61 |
C12(C(C(C)CCCC(C)C)CCC1(C1(C(CC2)(C2(C(=CC1)CC(OC(OCC)=O)CC2)C)[H])[H])[H])C
|
|
| MCULE-2278704005 |
0.61 |
CCCCCOC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-6603121364 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(OCCCCCCCC)=O
|
|
| MCULE-9695711864 |
0.61 |
C1[C@H](OC(=O)OCCCCCCCCC=CCCCCCCCC)CC2[C@](C1)([C@@]1([H])CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]3([H])[C@]1([H])CC=2)C
|
|
| MCULE-8772308175 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(OCC(C)CC)=O
|
|
| MCULE-4611936405 |
0.61 |
C1C=C(C)CC2(O)OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-7848467553 |
0.61 |
C1(C(COC1=O)OC(C)=O)=CCC1C(=C)CCC2C1(C)CCC(C2(C)COC(C)=O)OC(C)=O
|
|
| MCULE-8720311593 |
0.61 |
C1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H](OC(=O)/C(=C\C)/C)C(=CC(=O)C=1)C)C
|
|
| MCULE-9567571073 |
0.61 |
C(OCC(=CCC(C)COC(C)=O)C)(C)=O
|
|
| MCULE-4103920893 |
0.61 |
C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C
|
|
| MCULE-4361481556 |
0.61 |
O1C(C)(C)OCC23C1CC(O)CC2(O)CCC1C2(O)CCC(C4COC(C=4)=O)C2(C)CC(O)C31
|
|
| MCULE-3199220563 |
0.61 |
C1(C)(C)OC2CC(C3(CO)C4C(O)CC5(C)C(C6COC(C=6)=O)CCC5(O)C4CCC3(O)C2)O1
|
|
| MCULE-7034575967 |
0.61 |
[C@]12(C(C)(O)CC(OCC)=O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-4505044370 |
0.61 |
[Na+].C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O
|
|
| MCULE-5561830636 |
0.61 |
C1(=O)C=CC(CCCCCCCCCCCCC)O1
|
|
| MCULE-6024774190 |
0.61 |
C1C(=O)OC(CCCCCC(CC)(O)C)C=1
|
|
| MCULE-8006114836 |
0.61 |
C1(C2C3C4(C(C=C2)C1(C#N)C#N)CC(=O)OC4C=C3)(C#N)C#N
|
|
| MCULE-9797478674 |
0.61 |
C1C(=O)OC(CCCCCC(C(O)C)C)C=1
|
|
| MCULE-9326656323 |
0.61 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1441261356 |
0.61 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-5332478343 |
0.61 |
C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
|
|
| MCULE-1920197645 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCCC)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7003052133 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1876019392 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(CCCC)Br)=O
|
|
| MCULE-5304480316 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(CC)=O)C1CC1OC(CCC(C)COC(CC)=O)=C(C)C21
|
|
| MCULE-7854744392 |
0.61 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-4777670330 |
0.61 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-4306149194 |
0.61 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-2319475587 |
0.61 |
C1C[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@]5(CCC(=O)O5)CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC2=CC1=O
|
|
| MCULE-2306367523 |
0.61 |
C12CC(CC1OC(CC)=O)C1C=CCC21
|
|
| MCULE-3871864328 |
0.61 |
O1C(C)(C)C2CC=C(C)C(C2)C1C(C)C
|
|
| MCULE-5981693854 |
0.61 |
O1C(C)C2C(C)=CCC(C2)C1(C)C
|
|
| MCULE-6127095715 |
0.61 |
C1(C)=CC(C)C2C(C)C1C(CCC)OC2
|
|
| MCULE-1428350503 |
0.61 |
C12C(O)OC(=O)C=1CC(O)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-1356077791 |
0.61 |
[C@H]12OC(=O)C([C@@H]1[C@@H](OC(/C(/C)=C/CO)=O)CC(=C)[C@]1([H])C=C[C@](O)(C)[C@@]12[H])=C
|
|
| MCULE-5878030381 |
0.61 |
C12CC(COC1C(C)C)C(C=C2C)C
|
|
| MCULE-9828521938 |
0.61 |
C1C2C(C)(C)C1C(CCOCC(=C)C)=CC2
|
|
| MCULE-1184165301 |
0.61 |
C12CC(CC=C1C)COC2C1CCC(=CC1)C
|
|
| MCULE-9005119173 |
0.61 |
C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1
|
|
| MCULE-5173677772 |
0.61 |
[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H]
|
|
| MCULE-2712949914 |
0.61 |
C12(O)CC(C(C1(C)CC[C@@]1([H])[C@@]2([H])CCC2(C1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)O)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-5179814934 |
0.61 |
C1(C)=C[C@@]2([H])O[C@]3([H])[C@H](O)[C@@H](OC(C)=O)[C@@](C)([C@]43OC4)[C@@]2(CO)[C@H](O)C1=O
|
|
| MCULE-1396534041 |
0.61 |
C[C@]12[C@@]3(OC3)[C@H](O[C@@]3(C=C(C(=O)[C@H](O)[C@]13CO)C)[H])[C@H](O)[C@H]2OC(=O)C
|
|
| MCULE-7365003259 |
0.61 |
C1CC2(C)C(C(OC(/C=C/C=C/C=C/C)=O)C=C(C2(O)C(=O)O)C=O)C(C)(C)C1
|
|
| MCULE-3178410726 |
0.61 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1
|
|
| MCULE-1310747899 |
0.61 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1
|
|
| MCULE-2357370492 |
0.61 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-4714068349 |
0.61 |
CCCC1C(=CC(C)=O)COC1
|
|
| MCULE-8091940383 |
0.61 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-3965188829 |
0.61 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C
|
|
| MCULE-7252099279 |
0.61 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C
|
|
| MCULE-5929092480 |
0.61 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O
|
|
| MCULE-9616259526 |
0.61 |
C12CCCCCC=1C(=O)OC2=O
|
|
| MCULE-1954640803 |
0.61 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C=CCC(C)C)C)C4(C)CC=3)=CCC2(O)C1
|
|
| MCULE-8149583555 |
0.61 |
C1(C)C(O)CC=C(C)C(O)CC(=O)OC(C)C(C)CCC=1
|
|
| MCULE-5563929213 |
0.61 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O
|
|
| MCULE-8163001276 |
0.61 |
C1CC2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(/C(/C)=C/C)=O)CO2
|
|
| MCULE-4767922502 |
0.61 |
CSCCCC(OC1C=C(C)CC(C)(C)C1)=O
|
|
| MCULE-7653931965 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2NC(C)=O)C)OC(C)=O
|
|
| MCULE-2501469853 |
0.61 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])[C@@H]1OC(C)=O)CO2
|
|
| MCULE-3584333382 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C=O)=C2Cl)[H]
|
|
| MCULE-1880394496 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](C)C2NC(C)=O
|
|
| MCULE-5137269050 |
0.61 |
C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
|
|
| MCULE-2298294846 |
0.61 |
C12(C)C(=CC(OC)CC1)CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
|
|
| MCULE-2056984207 |
0.61 |
O1C2CC=CC1CC2
|
|
| MCULE-2001489608 |
0.61 |
C12=CCCCC1C(OC1CCCCC21)C=C
|
|
| MCULE-5485844450 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MCULE-9253743476 |
0.61 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
|
|
| MCULE-9978018071 |
0.61 |
CC1([C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@@]2(C(=C(CC2)[C@@H](C[C@@H]([C@H](C(C)(O)C)OC(=O)C)O)C)C[C@@H]3O)C)[H])(C)CCC1=O)C
|
|
| MCULE-2276317128 |
0.61 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-7286590115 |
0.61 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@H](C(O)(C)C)OC(=O)C)CC[C@]21C)O)(C)C
|
|
| MCULE-5873294860 |
0.61 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(O)C(OC(C)=O)C(O)(C)C
|
|
| MCULE-1244370752 |
0.61 |
C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-3344154059 |
0.61 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-5593960668 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-1014190195 |
0.61 |
C1(OCC(=C1C)CCCCC(=O)O)=O
|
|
| MCULE-8897168578 |
0.61 |
CC(C=C1CC(C2CC2)OC1)=O
|
|
| MolPort-002-528-272 |
0.61 |
CC(C)([NH3+])CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-512-263 |
0.61 |
CCC(=O)OCC(C)CCC1=C(C)C2C(CC3C4CC=C5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)CC)O1
|
|
| MolPort-002-708-424 |
0.61 |
CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-019-795-852 |
0.61 |
CC(C)([NH3+])CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-001-742-530 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-007-549-256 |
0.61 |
CCCCC(Br)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-000-789-289 |
0.61 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)CCCC
|
|
| MolPort-019-936-876 |
0.61 |
CC(=O)OC\C=C(/C)C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O
|
|
| MolPort-002-530-312 |
0.61 |
CC([NH3+])(CO)CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-000-837-253 |
0.61 |
CC([NH3+])(CO)CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-415 |
0.61 |
CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-002-527-547 |
0.61 |
[NH3+]CCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-023-277-853 |
0.61 |
CC1=CC2C(CC1)C(=O)OC2=O
|
|
| MolPort-006-137-931 |
0.61 |
CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
|
|
| MolPort-006-393-950 |
0.61 |
[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-035-394-839 |
0.61 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-042-683-898 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-003-986-216 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-006-167-612 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-002-530-380 |
0.61 |
CC(C)C1OC[C@H]2C[C@@H]1C(C)=CC2C
|
|
| MolPort-001-942-591 |
0.61 |
CC(C)C1OC(C)(C)C2CC=C(C)C1C2
|
|
| MolPort-000-703-223 |
0.61 |
CCCCCC1OCC2(CC)C(C)C1C(C)C=C2C
|
|
| MolPort-002-509-403 |
0.61 |
CC(C)C1OC[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-006-122-262 |
0.61 |
CCC(=O)OC1CC2CC1C1CC=CC21
|
|
| MolPort-002-508-718 |
0.61 |
CC1CC(C)=CCC1C1OC[C@@H]2CC1C(C)=CC2C
|
|
| MolPort-020-014-256 |
0.61 |
CCC(CC)O[C@@H]1C=C(C[C@@H]2O[C@H]12)C(=O)OC
|
|
| MolPort-020-180-334 |
0.61 |
CCCC1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-039-339-222 |
0.61 |
C\C(=C/CO)C(=O)O[C@H]1CC(=C)[C@@H]2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-005-945-954 |
0.61 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(C(O)OC1=O)C2O
|
|
| MolPort-002-512-730 |
0.61 |
CCCC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-000-744-998 |
0.61 |
CC1C=C(C)C2C(C)C1COC2C1CCC(C)=CC1
|
|
| MolPort-002-511-480 |
0.61 |
CC(C)C1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-002-511-717 |
0.61 |
CC1C=C(C)[C@H]2C(C)[C@@H]1COC2C1CCC(C)=CC1
|
|
| MolPort-002-511-551 |
0.61 |
CC1=CCC(CC1)C1OC[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-008-346-783 |
0.61 |
CCCC1OC[C@H]2C(C)C=C(C)C1C2C
|
|
| MolPort-000-717-560 |
0.61 |
CC(C)C1OCC2CC1C(C)=CC2C
|
|
| MolPort-002-507-829 |
0.61 |
CCC(=O)OC1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21
|
|
| MolPort-000-724-481 |
0.61 |
CC1=CCC(CC1)C1OCC2CC=C(C)C1C2
|
|
| MolPort-002-529-126 |
0.61 |
CCC(=O)OC1C[C@@H]2C[C@H]1C1CC=CC21
|
|
| MolPort-001-921-991 |
0.61 |
CC1OC(C)(C)C2CC=C(C)C1C2
|
|
| MolPort-002-511-699 |
0.61 |
CC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-028-854-622 |
0.61 |
C[C@H]1OC(C[C@H](O)[C@@H]1O)OC1[C@@H](O)CC(OC2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H]([C@H](C[C@]54O)OC(C)=O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
|
|
| MolPort-039-336-702 |
0.61 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
|
|
| MolPort-000-768-084 |
0.61 |
C[C@H]1OC(C[C@H](O)[C@@H]1O)OC1[C@@H](O)CC(OC2[C@@H](O)C[C@H](OC3CC[C@@]4(C)C(CCC5C4CC[C@]4(C)C(C(CC54O)OC(C)=O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C
|
|
| MolPort-046-426-155 |
0.61 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)C11CO1
|
|
| MolPort-019-939-202 |
0.61 |
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1
|
|
| MolPort-007-549-430 |
0.61 |
CC1OC(CC(O)C1O)OC1C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CC[C@@H]5[C@@H]4CCC4(C)C(C(CC54O)OC(C)=O)C4=CC(=O)OC4)C3)OC2C)OC1C
|
|
| MolPort-046-702-694 |
0.61 |
CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1
|
|
| MolPort-005-945-684 |
0.61 |
COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-039-138-940 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCC(CC(O)=O)OC
|
|
| MolPort-006-113-476 |
0.61 |
CCOC(=O)C1=CCCCC1
|
|
| MolPort-005-944-967 |
0.61 |
C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-035-705-906 |
0.61 |
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-039-052-687 |
0.61 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12
|
|
| MolPort-039-052-550 |
0.61 |
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-005-945-683 |
0.61 |
CC12CCCC(C)(C1CCC(=C)C2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-046-688-764 |
0.61 |
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
|
|
| MolPort-035-918-675 |
0.61 |
O=C1OC(=O)C2=C1CCCCC2
|
|
| MolPort-023-274-318 |
0.61 |
C\C(=C/CCC(C)(O)C=C)C1CC=C(C)C(=O)O1
|
|
| MolPort-035-705-794 |
0.61 |
CC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](O)[C@]3(O)[C@@H](OC(=O)C4=CC=CC=C4)[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]12C)C3(C)C
|
|
| MolPort-002-710-560 |
0.61 |
CC(=O)NC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-035-743-130 |
0.61 |
CSCCCC(=O)OC1CC(C)(C)CC(C)=C1
|
|
| MolPort-038-386-086 |
0.61 |
CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
|
|
| MolPort-016-586-626 |
0.61 |
CCOC12CCC(OCC)(C=C1)C(C2C(O)=O)C(O)=O
|
|
| MolPort-035-683-000 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC(C=O)=C4Cl)[C@@H]3CC=C2C1
|
|
| MolPort-044-754-160 |
0.61 |
C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(C)=O)C1=CC(=O)OC1
|
|
| MolPort-044-754-161 |
0.61 |
C\C=C(/C)C(=O)OC(C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1C(CCC21CO1)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
|
|
| MolPort-035-772-896 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C=O)=C4Cl)C3CC=C2C1
|
|
| MolPort-002-508-614 |
0.61 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(C)=O
|
|
| MolPort-035-705-835 |
0.61 |
CC(COC(C)=O)C1=C(O)C(=O)C2=C([C@H](OC(C)=O)[C@@H](O)[C@H]3C(C)(C)CCC[C@]23C)C1=O
|
|
| MolPort-005-944-922 |
0.61 |
CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O)C1CC(CO)=C(C)C(=O)O1
|
|
| MolPort-039-338-749 |
0.61 |
CC1=CCC(OC1=O)C(C)(O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@@H]1CC3
|
|
| MolPort-039-052-375 |
0.61 |
C[C@H](C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-035-706-385 |
0.61 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
|
|
| MolPort-002-511-418 |
0.61 |
CC(=C)[C@H]1OC2CCCCC2C2=CCCC[C@@H]12
|
|
| MolPort-044-637-463 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-039-339-016 |
0.61 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-035-705-938 |
0.61 |
C[C@]12CCC3=C(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]34C)[C@H]1OC[C@@H]2O
|
|
| MolPort-001-933-970 |
0.61 |
C=CC1OC2CCCCC2C2=CCCCC12
|
|
| MolPort-020-005-955 |
0.60 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-559-975 |
0.60 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(O)C(O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-039-052-352 |
0.60 |
C[C@H]1OC(=O)[C@@H](C)C1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-741-220 |
0.60 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-764-603 |
0.60 |
[2H]C1([2H])OC(=O)C2=C1[C@]1([2H])C[C@@H]3O[C@@]33[C@H](O)C4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CC2)C(C)C
|
|
| MolPort-039-338-480 |
0.60 |
CC1=C2[C@H]3O[C@]33CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O
|
|
| MolPort-016-638-463 |
0.60 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
|
|
| MolPort-019-937-216 |
0.60 |
CC\C=C/CC1C(=O)C=CC1(CCCCC1CCC(=O)O1)OC(C)=O
|
|
| MolPort-000-727-845 |
0.60 |
CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-003-959-668 |
0.60 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3CC3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
|
|
| MolPort-042-675-328 |
0.60 |
COC12OC3(C)CCC(OC(=O)C1C1C3CC3C1C1C(O)C(C)C(OC(C)=O)C1C=C3C(O)=O)C2C
|
|
| MolPort-046-697-180 |
0.60 |
CC(O)C(=O)C1(C)CC2C(C)=C3CC(=O)OC(C)(C)C3=CCC2(C)C2=C1COC2=O
|
|
| MolPort-002-559-417 |
0.60 |
CCCCOC(C(C)C)C1=CCCCC1
|
|
| MolPort-001-942-595 |
0.60 |
C1CCC2(C1)OC1CCCCC1C1=CCCCC21
|
|
| MolPort-002-511-646 |
0.60 |
C1CCC2(C1)O[C@@H]1CCCCC1C1=CCCCC21
|
|
| MolPort-002-508-292 |
0.60 |
C1CCC2(C1)OC1CCCC[C@@H]1C1=CCCCC21
|
|
| MolPort-046-764-829 |
0.60 |
[NH4+].[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12)C([2H])([2H])[2H]
|
|
| MolPort-023-220-532 |
0.60 |
N.CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-001-741-161 |
0.60 |
CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(COC(C)=O)=C\COC(C)=O)C(O)=O
|
|
| MolPort-001-739-937 |
0.60 |
CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C
|
|
| MolPort-003-850-249 |
0.60 |
[NH4+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-044-724-000 |
0.60 |
[NH4+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@H]([O-])CC(O)=O)[C@H]12
|
|
| MolPort-007-549-404 |
0.60 |
CC(=O)OC1CCC2(C#N)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-046-153-073 |
0.60 |
COC1\C=C\CCC(C)C(C)OC(=O)\C=C\C(C)(O)\C=C\1
|
|
| MolPort-029-937-842 |
0.60 |
O=C(OCC1CCOC1)C1=CCCCCC1
|
|
| MolPort-002-501-600 |
0.60 |
O=C1OC(=O)C2=C1CCCC2
|
|
| MolPort-002-139-889 |
0.60 |
CCOC(C\C(C)=C/C(O)=O)\C=C(/C)CCC=C(C)C
|
|
| MolPort-001-739-397 |
0.60 |
CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-000-825-884 |
0.60 |
[NH3+]CCCO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-252 |
0.60 |
[NH3+]CCCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-739-296 |
0.60 |
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
|
|
| MolPort-005-945-023 |
0.60 |
C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]2C(C)=CC(=O)C2=C1C
|
|
| MolPort-009-649-153 |
0.60 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C\C=C\C1=CC=CC=C1
|
|
| MolPort-039-145-144 |
0.60 |
CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@]21CO
|
|
| MolPort-019-937-183 |
0.60 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1OC
|
|
| MolPort-046-597-004 |
0.60 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@@]4(C)C3CC[C@@]12C)OC(=O)CCN1CC(C)CC(C)C1
|
|
| MolPort-046-597-606 |
0.60 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C\C=C\C1=CC=CC=C1
|
|
| MolPort-002-515-918 |
0.60 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCCC1
|
|
| MolPort-006-395-783 |
0.60 |
C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
|
|
| MolPort-044-561-052 |
0.60 |
C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)C(C=C(C)C4=O)C13O)C2(C)C
|
|
| MolPort-020-005-706 |
0.60 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-021-804-814 |
0.60 |
CC1C2CCC3C(C)(C)CCC(O)C3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-035-705-923 |
0.60 |
CCOC1C\C(=C/C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)C(=O)O1
|
|
| MolPort-020-005-743 |
0.60 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-793-004 |
0.60 |
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3=CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-021-804-680 |
0.60 |
CC(=O)OC1C(O)C(C)(O)C(\C=C\C(O)=O)C2(C)CCCC(C)(C)C12
|
|
| MolPort-023-274-323 |
0.60 |
C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
|
|
| MolPort-046-697-250 |
0.60 |
CC(CC(O)=O)CC1(O)C(O)C2OC1C=C2C
|
|
| MolPort-002-501-580 |
0.60 |
COC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
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0.60 |
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O
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|
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0.60 |
CC(C)C12CCC(C)(O1)C(CC\C(C)=C/CC\C(C)=C\C2)OC(C)=O
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|
| MolPort-046-697-238 |
0.60 |
CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
|
|
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0.60 |
CC(C)[C@]12CC[C@@](C)(O1)[C@@H](CC\C(C)=C\CC\C(C)=C/C2)OC(C)=O
|
|
| MolPort-001-742-639 |
0.60 |
C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
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0.60 |
CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3=CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-001-742-262 |
0.60 |
CC(C1CCC2C3CC=C4CC(CC(O)C4(C)C3CCC12C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CC(C)=C(C)C(=O)O1
|
|
| MolPort-046-594-234 |
0.60 |
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
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|
| MolPort-006-668-667 |
0.60 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C
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|
| MolPort-046-702-138 |
0.60 |
CC1(CO)C(O)CCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-006-668-458 |
0.60 |
CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO
|
|
| MolPort-046-684-152 |
0.60 |
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O
|
|
| MolPort-001-739-608 |
0.60 |
C[C@@H]1C[C@H](O)\C=C\[C@H](O)[C@@H](O)CC(=O)O1
|
|
| MolPort-005-909-529 |
0.60 |
CC1(C2[C@@H]1C1OC2C=C1)C(=O)OCC=C
|
|
| MolPort-044-754-159 |
0.60 |
CCC(C)C(=O)OC1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(CC(OC(=O)C(\C)=C\C)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
|
|
| MCULE-2936812310 |
0.60 |
O=C1C(=CCC2C3(C)C(C(CCC3)(C)C)CCC2=C)CC(OCC)O1
|
|
| MCULE-1580462179 |
0.60 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C(C)CC)=O)CO2
|
|
| MCULE-3051029416 |
0.60 |
C12(C(C(C)CCCC(C)C)CCC1(C1(C(CC2)(C2(C(=CC1)CC(OC(OC)=O)CC2)C)[H])[H])[H])C
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|
| MCULE-6962333105 |
0.60 |
CCC1OCC(C2CCCCC=2)(O)C1
|
|
| MCULE-9824682578 |
0.60 |
[C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
|
|
| MCULE-1684395189 |
0.60 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
|
|
| MCULE-7878989239 |
0.60 |
C1C(=O)OC(/C=C(\C)/CCCC(C)C2OC(C)(C)C(=O)C=2)CC=1C
|
|
| MCULE-1354886932 |
0.60 |
C1C[C@@]2([H])C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-3580664146 |
0.60 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-6277226641 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-3207105074 |
0.60 |
CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
|
|
| MCULE-8324389304 |
0.60 |
C1(CC2C=CC(O2)C1)=CC(O)=O
|
|
| MCULE-2403352810 |
0.60 |
C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-2054566768 |
0.60 |
[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
|
|
| MCULE-8166977907 |
0.60 |
O=C(OCC1CC=CCC1)CC1CCCC1
|
|
| MCULE-2039968402 |
0.60 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
|
|
| MCULE-5998876996 |
0.60 |
O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
|
|
| MCULE-4173710741 |
0.60 |
CCOC1(C(C)C)CCC(C)=CC1
|
|
| MCULE-4176831119 |
0.60 |
C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
|
|
| MCULE-2726581544 |
0.60 |
C(OCC1CC=CCC1C)(C)=O
|
|
| MCULE-7889219793 |
0.60 |
[C@H]1([C@@]2(C([C@@](C(C)C)(O)CC2)[C@H](CC(=C1)C)OC(=O)C1C=CC(OC)=CC=1)C)OC(=O)C
|
|
| MCULE-8030142346 |
0.60 |
O[C@]12[C@](C)([C@H](OC(=O)/C=C(/C(C)C)\C)C[C@@]3([C@@]4(C)CC[C@@H](CC4=CC[C@@]13O)O[C@]1(C[C@H](OC)[C@H](O[C@]3(C[C@H](OC)[C@H](O[C@]4(C[C@@H](OC)[C@H](O)[C@@H](C)O4)[H])[C@@H](C)O3)[H])[C@@H](C)O1)[H])[H])[C@@](C(=O)C)(O)CC2
|
|
| MCULE-6137852908 |
0.60 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(COC(C)=O)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-7792538419 |
0.60 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])COC(=O)C)O)O)C
|
|
| MCULE-1299527799 |
0.60 |
C1CC2(C)C(CC1OC1CC(OC)C(OC3C(O)C(O)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)C(C)O1)CCC1C3(O)C(CCC21)(C)C(C1=CC(=O)OC1)C(OC(C)=O)C3
|
|
| MCULE-4817885625 |
0.60 |
OC1OC(=O)C=C1C1CC=C(CCC=C(C)CCC2=C(CCCC2(C)C)C)C(O)O1
|
|
| MCULE-5303288459 |
0.60 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| MCULE-1699204347 |
0.60 |
C1(=O)C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
|
|
| MCULE-9089182234 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(=O)CC[NH+]1CCCC1
|
|
| MCULE-4844058467 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CCC4C[C@@H](O)CC[C@]34C)C1=CC=C2C1COC(=O)C=1
|
|
| MCULE-5464105562 |
0.60 |
C1CC2C(O)C3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-3861744236 |
0.60 |
C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O
|
|
| MCULE-3253304767 |
0.60 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(=O)CCN1CCCC1
|
|
| MCULE-5231093187 |
0.60 |
[Cl-].C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC[NH+]3CCCCC3)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5110860846 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@]4([H])C[C@H](CC[C@]34C)OC(C)=O)C1=CC=C2C1COC(=O)C=1)[H]
|
|
| MCULE-2616323149 |
0.60 |
O=C(CCCC/C=C1/C(CCCCCCCCCCCCC)OC/1=O)N
|
|
| MCULE-7580934560 |
0.60 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)[C@H]2CC=C1[C@H](O)COC1=O)O
|
|
| MCULE-6184262602 |
0.60 |
C12(C)CCC(C(C)(CO)C1CCC(=C)C2C/C=C1/C(O)COC/1=O)O
|
|
| MCULE-6120531049 |
0.60 |
C1CC2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
|
|
| MCULE-2751425383 |
0.60 |
O1[C@@]2(O)C[C@@]3(C)CCCC(=C)[C@]3([H])CC2=C(C)C1=O
|
|
| MCULE-7139024966 |
0.60 |
[Na+].O=C(C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@@H](C[C@@H]2OC(=O)C(CC)(C)C)C)C=C[C@@H]1C)O)O)[O-]
|
|
| MCULE-4619084731 |
0.60 |
C1C[C@@]2(C)[C@@](C/C=C3/[C@H](O)COC/3=O)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-2074166404 |
0.60 |
C12C3C1C=CC1C(=O)OC2C1C=C3
|
|
| MCULE-8321853166 |
0.60 |
C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
|
|
| MCULE-7738581129 |
0.60 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])C/C=C1\[C@@H](O)COC\1=O)O
|
|
| MCULE-1226859520 |
0.60 |
O=C1/C(=C/CC2C3(C)C(C(C(CC3)O)(CO)C)CCC2=C)/C(O)CO1
|
|
| MCULE-3307164216 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)ON(=O)=O)[H])C1COC(=O)C=1
|
|
| MCULE-9442123200 |
0.60 |
O=C1C(=CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)[C@H](O)CO1
|
|
| MCULE-8546117938 |
0.60 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC.[Na+]
|
|
| MCULE-5521128905 |
0.60 |
C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)C/C=C2\[C@H](O)COC\2=O)C1)[H]
|
|
| MCULE-8461763255 |
0.60 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
|
|
| MCULE-3014159189 |
0.60 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3O
|
|
| MCULE-4379391397 |
0.60 |
C12(C)CCC(C(C)(CO)C1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
|
|
| MCULE-3077119951 |
0.60 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C/C(/Cl)=C(\Cl)/Cl)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
|
|
| MCULE-2528636479 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C/C(/Cl)=C(\Cl)/Cl)C1CCC2C(C)C=CC(CC)C(C)C
|
|
| MCULE-5209430484 |
0.60 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C/C(/Cl)=C(\Cl)/Cl)C1CC[C@@H]2[C@H](C)CCCC(C)C
|
|
| MCULE-1385802339 |
0.60 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)ON(=O)=O)[H])C1COC(=O)C=1
|
|
| MCULE-3134722068 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C/C(/Cl)=C(/Cl)\Cl)C1CCC2C(C)CCC(CC)C(C)C
|
|
| MCULE-9995877189 |
0.60 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-1327799211 |
0.60 |
C12C3C=CC4C(=O)OC3C1C=CC24
|
|
| MCULE-7804523078 |
0.60 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C/C(/Cl)=C(/Cl)\Cl)C1CC[C@@H]2[C@H](C)CC[C@H](CC)C(C)C
|
|
| MCULE-9071665055 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C/C(/Cl)=C(\Cl)/Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4827912965 |
0.60 |
CC/C(=C/C(=O)O[C@H]1C(=C)[C@@]2(CC(=O)/C(=C\C)/[C@@]2([H])[C@H](C(C)C)C1)[H])/C
|
|
| MCULE-8753646114 |
0.60 |
[C@@]12(O)CC[C@H]([C@](O)(C)[C@H](O)C[C@H]3[C@H](C)C(=O)O[C@@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-9439877737 |
0.60 |
O1[C@H](C)[C@@H](C[C@@H](O)[C@](O)([C@@H]2[C@@]3(C)CC[C@]4([H])[C@]5(C)[C@]([H])(C(=O)C=C4[C@]3(O)CC2)C[C@@H](O)[C@@H](O)C5)C)[C@H](C)C1=O
|
|
| MCULE-3716742475 |
0.60 |
[C@@H]1(C[C@@]2(C3CC[C@@]4([C@H](CC[C@]4(C3=CC([C@]2([H])C[C@H]1O)=O)O)[C@@]([C@H](O)C[C@@H]1[C@@H](C)OC(=O)[C@H]1C)(C)O)C)C)O
|
|
| MCULE-2972497233 |
0.60 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-7818387200 |
0.60 |
C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O
|
|
| MCULE-8693541970 |
0.60 |
C1=C2COC3(O)C[C@@](C)(O)[C@]([H])([C@]23[H])C[C@@]2(C)CC[C@]([H])([C@@H](C)/C=C\C=C(/C)\C)[C@]2([H])C1
|
|
| MCULE-3581898493 |
0.60 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-3556341827 |
0.60 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C
|
|
| MCULE-5702185362 |
0.60 |
[C@]123O[C@@]1([H])[C@@]1([H])[C@@](O1)(C(C)C)[C@@H](O)[C@]12O[C@@]1([H])C[C@@]1([H])C2COC(=O)C=2CC[C@]31C
|
|
| MCULE-3829637819 |
0.60 |
C12C(OC(=O)C)C(C)C(O)C1C1C3C4C(=O)OC5CCC(C)(OC4(OC)C5C)C3CC1C(C(=O)O)=C2
|
|
| MCULE-4082383007 |
0.60 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
|
|
| MCULE-8636553484 |
0.60 |
C1CC2(C)C3C(=O)OCC=3C(C(=O)C(C)O)(C)CC2C(C)=C2CC(=O)OC(C)(C)C=12
|
|
| MCULE-3872989644 |
0.60 |
C1(CCCCC=1)C(OCCCC)C(C)C
|
|
| MCULE-2151239915 |
0.60 |
C1CC2(C3C(=CCCC3)C3C(CCCC3)O2)CC1
|
|
| MCULE-4404179672 |
0.60 |
CC1OCC(C2CCCCC=2)(O)C1
|
|
| MCULE-9144820188 |
0.60 |
C(=C(C)CC(OCC)C=C(C)CCC=C(C)C)C(O)=O
|
|
| MCULE-2716845869 |
0.60 |
C1(C)[C@H](C=C[C@](C=CC(O[C@@H]([C@H](CCC=1)C)C)=O)(O)C)OC
|
|
| MCULE-8124558417 |
0.60 |
C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C
|
|
| MCULE-1158671172 |
0.60 |
O1C(=O)C2=C(CCCC2)C1=O
|
|
| MCULE-1410893528 |
0.60 |
COC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-9988520649 |
0.60 |
C1(C)CCC=CC(OC)C=CC(O)(C)C=CC(=O)OC1C
|
|
| MCULE-1960514602 |
0.60 |
C1(OC)C(C)=CCCC(C)C(OC(=O)C=CC(O)(C)C=C1)C
|
|
| MCULE-4106244241 |
0.60 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC
|
|
| MCULE-8583685611 |
0.60 |
C1[C@H](OC(C(CC)C)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O)=CC1
|
|
| MCULE-1714041310 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(=O)COC(CBr)=O)[H]
|
|
| MCULE-1536474229 |
0.60 |
O=C(C1CCCCCC=1)OCC1COCC1
|
|
| MCULE-4739282187 |
0.60 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(C)=O)C#N
|
|
| MCULE-3608909089 |
0.60 |
O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@@H]12
|
|
| MCULE-6316183897 |
0.60 |
O1C23C4CCC(C5COC(C=5)=O)C4(C)CCC2C2(C1O)CCC(O)CC2(O)CC3
|
|
| MCULE-7414282746 |
0.60 |
C(=O)(C(C)CC)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12
|
|
| MCULE-3099528969 |
0.60 |
C12(CCC(CC1(O)CC[C@]1([H])[C@]2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(C)=O)C#N
|
|
| MCULE-8782047011 |
0.60 |
[C@@]12(OC(=O)C)C[C@H]([C@]3(O)[C@]4([H])C=C(C)C(=O)[C@]4(CC(CO)=C[C@@]3([H])[C@]1([H])C2(C)C)O)C
|
|
| MCULE-9132874288 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC[NH+]3CCCCC3)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2716253173 |
0.60 |
C(C)(=O)OC1C=CCC2C(OC(C21)=O)=O
|
|
| MCULE-5727744329 |
0.60 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=CC=CC3=CC=CC=C3)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-9495613593 |
0.60 |
C1([C@@]2([H])C(=C(C)[C@@H](OC(=O)/C(=C\C)/C)[C@@H]([C@@H]3[C@@H]2OC(C3=C)=O)O)C(=O)C=1)C
|
|
| MCULE-4894937500 |
0.60 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
|
|
| MCULE-2182894320 |
0.60 |
CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
|
|
| MCULE-6285610342 |
0.60 |
C1(O)CC2C(C)(CCC3(O)C(O)C(OC)OC3OC)C(C)CCC32COC(=O)C3=C1
|
|
| MCULE-9206020628 |
0.60 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-1609798784 |
0.60 |
C1[C@@H](C)OC(=O)C[C@H](O)[C@@H](O)C=C[C@H]1O
|
|
| MCULE-5492237592 |
0.60 |
C(O[C@@]1(CC2=CC[C@]3([C@@]4(CC[C@@]([C@@]4(C)CC[C@@]3([C@@]2(C)CC1)[H])([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])(=O)OC
|
|
| MCULE-7442709707 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
|
|
| MCULE-1592446720 |
0.60 |
C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C
|
|
| MCULE-9565601037 |
0.60 |
C12CC(OCCO)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
|
|
| MCULE-2060297166 |
0.60 |
C1C(O)C2(C)C3CC4(O)OC(=O)C=C4C(C)C3CCC2C(C)(C)C1
|
|
| MCULE-7613417621 |
0.60 |
O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1
|
|
| MCULE-3431366783 |
0.60 |
C1=C(C)C2OC1C(O)(CC(C)CC(=O)O)C2O
|
|
| MCULE-4466026241 |
0.60 |
C[C@@]12O[C@@](C(C)C)(CC=C(CCC=C(CC[C@H]1OC(=O)C)C)C)CC2
|
|
| MCULE-3110080775 |
0.60 |
C1(C)=CCC2(O[C@](C)(CC2)[C@H](OC(=O)C)CCC(C)=CCC1)C(C)C
|
|
| MCULE-5311242901 |
0.60 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-1198051930 |
0.60 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-3090499793 |
0.60 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-1183269623 |
0.60 |
C1(C)CCC(C2(C)OC(CC2)(C(C)C)CC=C(C)CCC=1)OC(C)=O
|
|
| MCULE-4138416849 |
0.60 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)=O
|
|
| MCULE-6158847047 |
0.60 |
C1C(C2(C(CC1OC1C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O1)=CCC1C2CCC2(C(C(C)C3CC(=C(C(O3)=O)C)C)CCC12)C)C)O
|
|
| MCULE-3702699592 |
0.60 |
C1CC2(C)C(/C=C/C(=O)O)C(O)(C)C(O)C(OC(C)=O)C2C(C)(C)C1
|
|
| MCULE-2381950923 |
0.60 |
C1=CC2([H])C=CC2([H])C(OC(C)=O)C1
|
|
