| MolPort-002-511-517 |
0.75 |
C[C@]1(O)CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-693-056 |
0.75 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MCULE-9454333017 |
0.75 |
[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
|
|
| MCULE-6805519453 |
0.75 |
[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
|
|
| MCULE-1018439007 |
0.75 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
|
|
| MolPort-046-793-260 |
0.74 |
C[C@]12CC[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-039-338-127 |
0.72 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MCULE-6190050690 |
0.72 |
C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
|
|
| MCULE-4737898468 |
0.72 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MolPort-039-338-840 |
0.72 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-007-980-918 |
0.71 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C(Cl)=CC1=O
|
|
| MolPort-044-561-679 |
0.71 |
C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
|
|
| MolPort-044-183-439 |
0.71 |
C[C@@H](CCC=C(C)C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
|
|
| MCULE-1842199780 |
0.70 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-9151137367 |
0.70 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
|
|
| MCULE-3741444667 |
0.70 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-9549608104 |
0.70 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MCULE-4676598997 |
0.70 |
C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
|
|
| MCULE-1387376761 |
0.70 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-9848650209 |
0.70 |
O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
|
|
| MolPort-039-062-015 |
0.70 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-003-666-072 |
0.70 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-007-980-884 |
0.70 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-023-220-126 |
0.70 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-002-524-552 |
0.70 |
CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-027-835-537 |
0.70 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-008-322-980 |
0.70 |
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
|
|
| MolPort-002-507-130 |
0.70 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-001-742-604 |
0.70 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-001-742-443 |
0.70 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
|
|
| MolPort-000-772-330 |
0.70 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-035-706-531 |
0.69 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-042-675-343 |
0.69 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-039-009-099 |
0.69 |
CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MCULE-7929696567 |
0.69 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
|
|
| MCULE-8193803152 |
0.69 |
CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
|
|
| MCULE-5532688938 |
0.69 |
C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
|
|
| MCULE-6664715607 |
0.69 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(=O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-6630966108 |
0.69 |
O[C@H]1C[C@H]2C(C)(C)C(CC[C@]2(C)C2C(C[C@]3(C)[C@@H]([C@H](C)CC(C[C@H](C(=O)O)C)=O)CC([C@@]3(C)C=21)=O)=O)=O
|
|
| MCULE-6957829896 |
0.69 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
|
|
| MCULE-6464655857 |
0.69 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MolPort-039-338-981 |
0.69 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-006-823-887 |
0.69 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-046-594-358 |
0.69 |
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-039-338-121 |
0.69 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(O)=O
|
|
| MolPort-039-338-190 |
0.69 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-002-841-841 |
0.69 |
CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
|
|
| MolPort-035-706-203 |
0.69 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
|
|
| MolPort-035-706-403 |
0.69 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
|
|
| MolPort-046-688-079 |
0.69 |
CC(C1CC=C(C)C(=O)C1)C(O)=O
|
|
| MolPort-046-196-745 |
0.69 |
C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
|
|
| MCULE-1065645853 |
0.68 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
|
|
| MCULE-8721567365 |
0.68 |
[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-2605863241 |
0.68 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-4241274271 |
0.68 |
C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-4819154807 |
0.68 |
C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-5274452426 |
0.68 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
|
|
| MCULE-9209606443 |
0.68 |
C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
|
|
| MCULE-1660040884 |
0.68 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
|
|
| MCULE-3333652397 |
0.68 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
|
|
| MCULE-3946245376 |
0.68 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
|
|
| MCULE-5773428311 |
0.68 |
C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
|
|
| MCULE-9131674305 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
|
|
| MCULE-1294118086 |
0.68 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
|
|
| MCULE-1990275167 |
0.68 |
C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-7998597001 |
0.68 |
C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
|
|
| MCULE-3945869814 |
0.68 |
C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
|
|
| MCULE-1657159254 |
0.68 |
[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-2653535248 |
0.68 |
C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
|
|
| MCULE-3841271177 |
0.68 |
C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
|
|
| MCULE-1455068472 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-5063748511 |
0.68 |
C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-4464327459 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8464537126 |
0.68 |
CC12C(O)CCCC1=CC(=O)CC2
|
|
| MCULE-2832089707 |
0.68 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
|
|
| MCULE-2390783905 |
0.68 |
[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
|
|
| MCULE-3632970812 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-2819471637 |
0.68 |
OC(C1CC2(CC2)CCC=1Cl)=O
|
|
| MCULE-1595417644 |
0.68 |
OC(C1CC(C2CCC2)CCC=1Cl)=O
|
|
| MolPort-046-793-369 |
0.68 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-038-386-656 |
0.68 |
CC1C(CCC(O)=O)C2CCCCC2=CC1=O
|
|
| MolPort-039-338-302 |
0.68 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
|
|
| MolPort-046-417-742 |
0.68 |
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
|
|
| MolPort-046-596-387 |
0.68 |
CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-338-398 |
0.68 |
C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
|
|
| MolPort-006-069-421 |
0.68 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-019-997-276 |
0.68 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
|
|
| MolPort-002-526-059 |
0.68 |
C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-740-351 |
0.68 |
CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-001-740-352 |
0.68 |
C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-001-741-118 |
0.68 |
C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-001-742-304 |
0.68 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| MolPort-001-742-412 |
0.68 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| MolPort-001-785-932 |
0.68 |
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-507-282 |
0.68 |
CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-387 |
0.68 |
C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-520-919 |
0.68 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
|
|
| MolPort-002-527-294 |
0.68 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-111-052 |
0.68 |
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-911-071 |
0.68 |
C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
|
|
| MolPort-002-911-080 |
0.68 |
C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-002-911-141 |
0.68 |
CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-911-148 |
0.68 |
CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
|
|
| MolPort-003-849-312 |
0.68 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
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|
| MolPort-004-285-983 |
0.68 |
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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| MolPort-005-937-958 |
0.68 |
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-005-944-708 |
0.68 |
C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
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|
| MolPort-005-944-959 |
0.68 |
CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
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|
| MolPort-046-596-410 |
0.68 |
C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
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|
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0.68 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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| MolPort-046-765-461 |
0.68 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
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|
| MolPort-046-765-340 |
0.68 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
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0.68 |
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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0.68 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
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0.68 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
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[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
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0.68 |
[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
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|
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0.68 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
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| MolPort-046-693-157 |
0.68 |
CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
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|
| MolPort-046-765-305 |
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CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
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CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
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| MolPort-002-525-628 |
0.68 |
CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
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CC(CC(=O)C[C@](C)(O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
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0.68 |
C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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| MolPort-002-116-770 |
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CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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0.67 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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| MolPort-002-841-842 |
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CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
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0.67 |
CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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0.67 |
CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
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| MolPort-002-510-335 |
0.67 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
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| MolPort-003-892-389 |
0.67 |
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
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| MolPort-002-525-755 |
0.67 |
CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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| MolPort-002-506-874 |
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CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-007-980-847 |
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CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
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| MolPort-046-596-273 |
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CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
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| MolPort-000-480-394 |
0.67 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
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CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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| MolPort-039-339-169 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
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| MolPort-013-262-490 |
0.67 |
CC1CCC(Cl)=C(C1)C(O)=O
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|
| MCULE-9449984869 |
0.67 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
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|
| MCULE-3556525470 |
0.67 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
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|
| MCULE-6793463685 |
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O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
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|
| MCULE-3069989292 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
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|
| MCULE-4690967590 |
0.67 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
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|
| MCULE-2011201542 |
0.67 |
[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
|
|
| MCULE-7010605333 |
0.67 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)C)CC3)C[C@@H]2C
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|
| MCULE-8472407044 |
0.67 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-1412596642 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
|
|
| MCULE-4728366427 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
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|
| MCULE-1785744667 |
0.67 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
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|
| MCULE-2022303549 |
0.67 |
C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-7899567818 |
0.67 |
C12C(=O)CC(CC=1CC1(CC2(Cl)CC(C1)(C)C)C)(C)C
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|
| MCULE-3135517908 |
0.67 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-1251158415 |
0.67 |
[C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-6552675485 |
0.67 |
C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
|
|
| MCULE-4839802180 |
0.67 |
[C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-5054990207 |
0.67 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
|
|
| MCULE-6199732071 |
0.67 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-6305022030 |
0.67 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
|
|
| MCULE-7591106214 |
0.67 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-5560129850 |
0.67 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-4261762276 |
0.67 |
OC(C1C2CC(CC2)CC=1Cl)=O
|
|
| MCULE-8934502311 |
0.67 |
C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
|
|
| MCULE-8197236760 |
0.67 |
CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
|
|
| MCULE-3860629045 |
0.67 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-6501593178 |
0.67 |
C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
|
|
| MCULE-3390693428 |
0.67 |
C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
|
|
| MCULE-2147959975 |
0.67 |
C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
|
|
| MCULE-9248944569 |
0.67 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
|
|
| MCULE-8997971805 |
0.67 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
|
|
| MCULE-9921246997 |
0.67 |
O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
|
|
| MCULE-1566569432 |
0.67 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
|
|
| MolPort-002-510-661 |
0.67 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-739-076 |
0.67 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-002-507-411 |
0.67 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
|
|
| MolPort-002-530-358 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
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|
| MolPort-000-738-106 |
0.67 |
CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-035-924-387 |
0.67 |
CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
|
|
| MolPort-044-559-994 |
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C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-044-183-250 |
0.67 |
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-039-338-120 |
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C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
|
|
| MolPort-006-391-847 |
0.67 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
|
|
| MolPort-046-690-137 |
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CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-023-219-645 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
|
|
| MolPort-039-339-050 |
0.67 |
CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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|
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0.67 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-006-822-493 |
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CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
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|
| MolPort-002-526-228 |
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C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-764-826 |
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[2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-046-765-400 |
0.67 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34C(O)=O)[C@H]1CCC2=O
|
|
| MolPort-008-155-613 |
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CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
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|
| MolPort-035-681-549 |
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C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-035-706-198 |
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CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
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|
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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| MolPort-046-596-275 |
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C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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| MolPort-005-944-289 |
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CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
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|
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C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
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C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
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| MolPort-002-800-180 |
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CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(Cl)C1
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|
| MolPort-005-934-866 |
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
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C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
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|
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CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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| MolPort-046-793-264 |
0.67 |
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
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| MolPort-001-785-920 |
0.67 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
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| MolPort-039-138-901 |
0.67 |
C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-005-938-470 |
0.67 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-005-945-648 |
0.67 |
CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
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|
| MolPort-046-766-234 |
0.67 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
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|
| MolPort-039-141-884 |
0.67 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
|
|
| MolPort-001-740-910 |
0.67 |
CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
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|
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0.67 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-019-857-808 |
0.67 |
CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
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|
| MolPort-046-690-133 |
0.67 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
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0.66 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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| MolPort-046-688-772 |
0.66 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4C[C@H](C)[C@](O)(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@]3(Cl)[C@@]2(C)C=CC1=O
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| MolPort-003-844-701 |
0.66 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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| MolPort-046-153-787 |
0.66 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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| MolPort-039-338-126 |
0.66 |
C[C@H](C[C@H](O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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0.66 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
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|
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CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
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|
| MolPort-035-706-191 |
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CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
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|
| MolPort-002-512-114 |
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-046-689-150 |
0.66 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
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|
| MolPort-035-706-309 |
0.66 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
|
|
| MolPort-046-761-814 |
0.66 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
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|
| MolPort-001-816-138 |
0.66 |
OC(=O)C1CC2CC=CC(C1)C2=O
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|
| MolPort-001-739-597 |
0.66 |
CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
|
|
| MCULE-1007207654 |
0.66 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1(Cl)[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)CO)[C@@H](C)C3)CC2
|
|
| MCULE-1010776591 |
0.66 |
C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
|
|
| MCULE-1874567277 |
0.66 |
[C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-2458381576 |
0.66 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1
|
|
| MCULE-1479199763 |
0.66 |
C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
|
|
| MCULE-6520929159 |
0.66 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8869963478 |
0.66 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-2237684707 |
0.66 |
C12(CC(C(=O)C(C)=C1CC)C)C(=O)CCC2C(O)=O
|
|
| MCULE-3192846064 |
0.66 |
C12(C=CC(=O)CC1)C(=O)C=C(O)CC2(C)C
|
|
| MCULE-4191246644 |
0.66 |
C1(CCCCC=1Cl)C(O)=O
|
|
| MCULE-7552770733 |
0.66 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-2255462467 |
0.66 |
C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
|
|
| MCULE-6242790082 |
0.66 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
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0.66 |
CC(CC(=O)\C=C(\C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
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| MolPort-039-009-249 |
0.66 |
CC1(C)CC(O)=CC(=O)C11CCC(=O)C=C1
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|
| MolPort-039-338-122 |
0.66 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O
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|
| MolPort-002-471-266 |
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OC(=O)C1=C(Cl)CCCC1
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|
| MolPort-023-274-345 |
0.66 |
CCC1=C(C)C(=O)C(C)CC11C(CCC1=O)C(O)=O
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|
| MolPort-046-153-168 |
0.66 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
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0.66 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
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0.66 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
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|
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C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
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CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
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| MolPort-002-709-805 |
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
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|
| MolPort-035-706-109 |
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CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
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C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@H]1C
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CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
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C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
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CCCCCC1CC(O)=CC(=O)C1
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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COC(=O)C1(C)CCCC2(C)C1CCC13C=C(C(C)C)C(CC21)C1C3C(=O)C(Cl)=CC1=O
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[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4C[C@@H](C)[C@@](O)(C(=O)C([2H])([2H])Cl)[C@@]4(C)C[C@H](O)[C@]3(Cl)[C@@]2(C)C=CC1=O
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
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COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)C1C3C(=O)C(Cl)=CC1=O
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|
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0.65 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
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|
| MCULE-4914143446 |
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C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
|
|
| MCULE-5903352413 |
0.65 |
CCCCCC1CC(=CC(=O)C1)O
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|
| MCULE-2400907851 |
0.65 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
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|
| MCULE-2700455616 |
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C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
|
|
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0.65 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
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|
| MCULE-3750924928 |
0.65 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
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|
| MCULE-9707443606 |
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C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
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|
| MCULE-3473010637 |
0.65 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
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|
| MCULE-1153477483 |
0.65 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
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|
| MCULE-8877595522 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
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|
| MCULE-3685662720 |
0.65 |
O=C(C1C(C)(C)CCCC=1C)Cl
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|
| MCULE-9024219601 |
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C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
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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(=O)C=C2C[C@H]1O
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|
| MCULE-3353799719 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
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0.65 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
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| MCULE-3559356203 |
0.65 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
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|
| MCULE-5797410500 |
0.65 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-8008111833 |
0.65 |
[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-9448141357 |
0.65 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MCULE-9301209033 |
0.65 |
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
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|
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0.65 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-4121463357 |
0.65 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
|
|
| MCULE-9381861258 |
0.65 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-6557448423 |
0.65 |
C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
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|
| MCULE-2793674012 |
0.65 |
CC(C1C2(C)C(O)C(C3C4(C)CCC(O)C(C)(C)C4CC(=O)C=3C2(C)C(=O)C1)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-7919759875 |
0.65 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-4758818217 |
0.65 |
O=C1C=CC(C2C(C=CCC21)C(O)=O)=O
|
|
| MCULE-4587868817 |
0.65 |
CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
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CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
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CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
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| MolPort-019-937-543 |
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CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
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CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
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[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
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CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
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CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
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CC(=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
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CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
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C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
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CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
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C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
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CC1CCC2(C)C(CCC=C2C)C1(C)C\C=C(\CC(O)=O)C=O
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C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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CC(C)C1=CC(=O)[C@](C)(O)[C@@H]2[C@@H]3C=C(C(C)C)[C@H]([C@H]12)C(=O)[C@]3(C)O
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C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
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0.64 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
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C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
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| MCULE-5701652206 |
0.64 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
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[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
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ClC1CCC(C2CCC2)CC=1C=O
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[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
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| MCULE-7594935296 |
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ClC1CCC2(CC2)CC=1C=O
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| MCULE-8925145429 |
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O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
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|
| MCULE-4586192863 |
0.64 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
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| MCULE-9656399480 |
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C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
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| MCULE-7472546811 |
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C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
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| MCULE-6482685801 |
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C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
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|
| MCULE-6095158575 |
0.64 |
C1=C(C(C)C)[C@@]2([H])[C@H]3C(C(C)C)=C[C@H]([C@@](C)(O)C3=O)[C@@]2([H])[C@@](C)(O)C1=O
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| MCULE-5208181398 |
0.64 |
C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
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|
| MCULE-2036056204 |
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C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
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|
| MCULE-2791131855 |
0.64 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
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|
| MCULE-8646276663 |
0.64 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
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| MCULE-8494008475 |
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C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
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|
| MCULE-4822409054 |
0.64 |
C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-5186769141 |
0.64 |
C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
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| MCULE-3392411245 |
0.64 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
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| MCULE-8953627920 |
0.64 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
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| MCULE-8463642691 |
0.64 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
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|
| MCULE-4849477341 |
0.64 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
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| MCULE-1397397840 |
0.64 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
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|
| MCULE-3272252898 |
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O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
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|
| MCULE-4335831288 |
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C1(Cl)=C(C=O)CCC(C)(C)C1
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| MCULE-4949013565 |
0.64 |
C(C1(C2=CCCCC2)CCCCC1)(O)=O
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| MolPort-028-610-018 |
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CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
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CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
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C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
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C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
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C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
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C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
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C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
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[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
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C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
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CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
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C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
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[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
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CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
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[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
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| MolPort-042-680-921 |
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Cl\C1=C(\CCCCCC1)C=O
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CC1(C)CCC(C=O)=C(Cl)C1
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CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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OC(=O)CCCCCCC\C=C/CC=O
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CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
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CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
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CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C
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OC1=C(Cl)C(=O)CCC1
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C[C@@]12CC[C@H](C[C@H]1[C@H](CCC1(O)[C@@H]3C[C@@H](CC[C@@]3(C)C=CC1=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O
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CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
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CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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0.63 |
[K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
|
|
| MolPort-044-649-596 |
0.63 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-044-723-276 |
0.63 |
C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
|
|
| MolPort-046-196-836 |
0.63 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-005-943-420 |
0.63 |
CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-790-365 |
0.63 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-039-339-048 |
0.63 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-003-698-895 |
0.63 |
OC(=O)[C@@]1(Cl)CC2CC1C=C2
|
|
| MCULE-1916767135 |
0.63 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-5049706558 |
0.63 |
C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
|
|
| MCULE-1323295889 |
0.63 |
C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
|
|
| MCULE-2266106107 |
0.63 |
C1(=O)CCCC(O)=C1Cl
|
|
| MCULE-7277661521 |
0.63 |
C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
|
|
| MCULE-5791637196 |
0.63 |
C1CCC23CC12C(O)C=CC3=O
|
|
| MCULE-8394821836 |
0.63 |
C12(C)C(=O)C=C(O)C(CC1)C2(C)C
|
|
| MCULE-8499932204 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
|
|
| MCULE-2196052177 |
0.63 |
[K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MCULE-1627239407 |
0.63 |
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[C@@H](O)C2=CC1=O
|
|
| MCULE-4050021987 |
0.63 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
|
|
| MCULE-8041079323 |
0.63 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
|
|
| MCULE-6821384626 |
0.63 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
|
|
| MCULE-1623468852 |
0.63 |
ClC1CC2CC(CC2)C=1C=O
|
|
| MCULE-1102900161 |
0.63 |
[C@]1(Cl)(CC2CC1C=C2)C(O)=O
|
|
| MCULE-4162330770 |
0.63 |
C1CC2=CC(=O)C(C(=C)C)CC2(CO)C(C)C1O
|
|
| MCULE-8236621147 |
0.63 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-2278067941 |
0.63 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)=O)C
|
|
| MCULE-1067345384 |
0.63 |
[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO)O
|
|
| MolPort-023-274-413 |
0.63 |
CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C
|
|
| MolPort-001-960-404 |
0.63 |
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
|
|
| MolPort-006-111-863 |
0.63 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)C[C@H](O)[C@H]21
|
|
| MolPort-002-525-704 |
0.63 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-002-527-360 |
0.63 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-001-960-400 |
0.63 |
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
|
|
| MolPort-007-980-886 |
0.63 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-046-596-331 |
0.63 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C2C1
|
|
| MolPort-046-158-400 |
0.63 |
CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
|
|
| MolPort-039-052-627 |
0.63 |
CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-002-800-680 |
0.63 |
CC(C)(C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-006-111-373 |
0.63 |
CC1=C(C(O)=O)C(C)(C)CCC1
|
|
| MolPort-021-804-689 |
0.63 |
CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-002-515-602 |
0.63 |
CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O
|
|
| MolPort-001-741-221 |
0.62 |
C[C@H](C[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)C(C)(C)O
|
|
| MolPort-020-005-977 |
0.62 |
C[C@H](CO)CC[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-046-693-458 |
0.62 |
CC(C)CC[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-021-804-511 |
0.62 |
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
|
|
| MolPort-001-741-219 |
0.62 |
CC(C)(O)CC[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-000-728-523 |
0.62 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-005-933-631 |
0.62 |
C[C@H]([C@H](O)CCC(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-020-005-976 |
0.62 |
C[C@@H](CO)CC[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-039-338-665 |
0.62 |
CC(CO)CC[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-044-561-113 |
0.62 |
C[C@H](C[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)C(C)(C)O
|
|
| MolPort-002-508-947 |
0.62 |
CC(C)(O)CC[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-002-507-287 |
0.62 |
CC(C)(O)CC[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-046-153-146 |
0.62 |
CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-003-933-119 |
0.62 |
C[C@H]([C@H](O)CCC(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-008-322-993 |
0.62 |
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-027-853-691 |
0.62 |
CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-822-587 |
0.62 |
CC(C)CC[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-046-054-510 |
0.62 |
CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-046-067-789 |
0.62 |
CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-068-912 |
0.62 |
CC(C)(O)CC[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-038-941-702 |
0.62 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
|
|
| MolPort-046-594-431 |
0.62 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
|
|
| MolPort-046-141-505 |
0.62 |
OC(=O)C1CC2CC=CC(C2)C1
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|
| MolPort-028-754-126 |
0.62 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
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| MolPort-039-338-737 |
0.62 |
CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
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| MolPort-039-338-325 |
0.62 |
C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
|
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| MolPort-016-633-342 |
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C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
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0.62 |
CC1(C)C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-019-937-542 |
0.62 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
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|
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C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
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|
| MolPort-035-706-111 |
0.62 |
CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
|
|
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0.62 |
CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
|
|
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0.62 |
C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
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0.62 |
CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
|
|
| MolPort-006-113-734 |
0.62 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-035-706-266 |
0.62 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-267 |
0.62 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MCULE-5981754847 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(C)=O)CC[C@@]4([H])[C@]3([H])C=C(Cl)C2=CC1=O
|
|
| MCULE-5877634747 |
0.62 |
ClC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-6460864523 |
0.62 |
ClCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-7995365701 |
0.62 |
C1(C=O)CCCCC=1Cl
|
|
| MCULE-8431742814 |
0.62 |
O=C1C(C)CC(C)C(O)=C1
|
|
| MCULE-5885912327 |
0.62 |
ClC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O
|
|
| MCULE-7420090326 |
0.62 |
C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-8322667113 |
0.62 |
C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-3077397941 |
0.62 |
C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-1643283288 |
0.62 |
C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
|
|
| MCULE-6934036262 |
0.62 |
C1(C(CCCC(C2C(=O)CC(CC2=O)(C)C)C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-6355846723 |
0.62 |
C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
|
|
| MCULE-7903507006 |
0.62 |
C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-3727435032 |
0.62 |
C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-3773650223 |
0.62 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-8942246758 |
0.62 |
C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
|
|
| MCULE-4778256781 |
0.62 |
C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
|
|
| MCULE-7713771264 |
0.62 |
[C@]12(C)C[C@@H]([C@H](O)[C@@](C)(C(=O)O)[C@]1([H])CC[C@@]1(C)C3CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@]4([H])C=3[C@@H](CCl)C[C@]21[H])O
|
|
| MCULE-6641232569 |
0.62 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-6548751857 |
0.62 |
C=C(CCCCCC(=O)O)Cl
|
|
| MCULE-6082663554 |
0.62 |
C=C(CCCCCCC(=O)O)Cl
|
|
| MCULE-9038165616 |
0.62 |
CC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-4976051850 |
0.62 |
[C@]12(C)C[C@@H]([C@H](O)[C@@](C)(C(=O)O)[C@]1([H])CC[C@@]1(C)C3CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@]4([H])C=3[C@@H](CCl)C[C@]21[H])O
|
|
| MCULE-1670830332 |
0.62 |
C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
|
|
| MCULE-5230788025 |
0.62 |
C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
|
|
| MCULE-8116500557 |
0.62 |
C1(C=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-9942267030 |
0.62 |
C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
|
|
| MCULE-3785825090 |
0.62 |
C1(C=O)[C@]2([H])C(=O)[C@@H](O)[C@@H](C)[C@@]2([H])C[C@]2(C)CCC(C(C)CO)=C2CC=1
|
|
| MCULE-9150714373 |
0.62 |
C1(C(C)(C)CCCC=1C)C(O)=O
|
|
| MCULE-2797527002 |
0.62 |
C1(C(=O)O)=CCC(CCCCCC)CC1
|
|
| MCULE-7258934827 |
0.62 |
C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
|
|
| MCULE-9857200349 |
0.62 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O
|
|
| MCULE-1963273832 |
0.62 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-1655274985 |
0.62 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
|
|
| MCULE-1821855723 |
0.62 |
C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
|
|
| MCULE-3979294448 |
0.62 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-4797309594 |
0.62 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
|
|
| MCULE-5643440248 |
0.62 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
|
|
| MCULE-3121556913 |
0.62 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-4479203479 |
0.62 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-9660893096 |
0.62 |
C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-5396685230 |
0.62 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
|
|
| MCULE-4964860916 |
0.62 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
|
|
| MCULE-6132152847 |
0.62 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
|
|
| MCULE-6709791224 |
0.62 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-4167735225 |
0.62 |
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
|
|
| MCULE-8466128773 |
0.62 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-4504483614 |
0.62 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
|
| MCULE-5025931577 |
0.62 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
|
|
| MCULE-5113003290 |
0.62 |
OC(C1CC2CC(CC=C2)C1)=O
|
|
| MCULE-9341616847 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-3664047551 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-7147126046 |
0.62 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
|
|
| MCULE-5327458615 |
0.62 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
|
|
| MCULE-4963816026 |
0.62 |
O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
|
|
| MCULE-7022735372 |
0.62 |
C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-2810354958 |
0.62 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-1585586063 |
0.62 |
C12C(CCC(=O)C=1)CC(C(O)=O)C2
|
|
| MCULE-2170216646 |
0.62 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
|
|
| MCULE-7712069033 |
0.62 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
|
|
| MCULE-9742304708 |
0.62 |
C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
|
|
| MCULE-7932579394 |
0.62 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-8312923448 |
0.62 |
C12CCCC(=O)C=1CC(C(=O)O)CC2
|
|
| MolPort-006-147-728 |
0.62 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-761-529 |
0.62 |
[2H]C1=C2C(Cl)=C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-000-876-454 |
0.62 |
ClC1=C(CCCC1)C=O
|
|
| MolPort-003-664-396 |
0.62 |
CC1=C(O)C(=O)CC(C)(C)C1
|
|
| MolPort-044-755-197 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-693-183 |
0.62 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)=O
|
|
| MolPort-035-705-838 |
0.62 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
|
|
| MolPort-001-011-949 |
0.62 |
CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-001-995-568 |
0.62 |
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
|
|
| MolPort-039-052-452 |
0.62 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
|
|
| MolPort-002-130-411 |
0.62 |
CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-005-943-996 |
0.62 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
|
|
| MolPort-023-279-066 |
0.62 |
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-009-015-247 |
0.62 |
CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-020-005-767 |
0.62 |
CC1(C)CC[C@@]2(CCC3=C([C@@H](CCl)C[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-590-046 |
0.62 |
CC1(C)CC[C@@]2(CCC3=C([C@@H](CCl)C[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@H]2C1)C(O)=O
|
|
| MolPort-020-005-730 |
0.62 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
|
|
| MolPort-006-118-438 |
0.61 |
C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-549-690 |
0.61 |
[Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
|
|
| MolPort-002-507-430 |
0.61 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-008-322-983 |
0.61 |
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-647-049 |
0.61 |
OC(=O)C1=C[C@@H]2CCCC[C@H]12
|
|
| MolPort-006-112-498 |
0.61 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-509-181 |
0.61 |
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-019-937-489 |
0.61 |
CC12CCCC(C)(C)C1CC=C2C(O)=O
|
|
| MolPort-001-739-246 |
0.61 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
|
|
| MolPort-021-804-579 |
0.61 |
CC(C)(O)C(O)C[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-046-153-808 |
0.61 |
C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O
|
|
| MolPort-001-741-653 |
0.61 |
CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-006-668-275 |
0.61 |
CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MCULE-5021429359 |
0.61 |
C1(Cl)(C(OC)=O)C(C)(C)CC(C(C(C)=O)=C1O)=O |
|
| MolPort-039-338-149 |
0.61 |
C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
|
|
| MolPort-001-767-705 |
0.61 |
C[C@]12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-044-637-536 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-044-637-537 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
|
|
| MolPort-039-339-207 |
0.61 |
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-046-153-799 |
0.61 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-044-723-335 |
0.61 |
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
|
|
| MolPort-044-637-461 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-001-781-972 |
0.61 |
CC12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-044-727-594 |
0.61 |
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-002-054-253 |
0.61 |
CC1=C2CCCC(=O)[C@@]2(C)CCC1=O
|
|
| MolPort-039-338-736 |
0.61 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-016-584-574 |
0.61 |
CCCC12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-046-596-366 |
0.61 |
CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-176-715 |
0.61 |
CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-153-143 |
0.61 |
CC(C)[C@H]1CC[C@]2(C)C([C@H]1C(C=O)=C2C)C(O)=O
|
|
| MolPort-046-793-262 |
0.61 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-196-703 |
0.61 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
|
|
| MolPort-002-932-776 |
0.61 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-044-755-253 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)CO
|
|
| MolPort-046-793-261 |
0.61 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-529-087 |
0.61 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-529-268 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
|
|
| MolPort-006-668-441 |
0.61 |
CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
|
|
| MolPort-002-510-100 |
0.61 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-007-980-854 |
0.61 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MCULE-2276487887 |
0.61 |
O=C1C=CC2(C)C3(C(CC4(C)C(O)(CCC4C3CCC2=C1)C(CO)=O)Cl)Cl
|
|
| MCULE-5400534993 |
0.61 |
C12(C)CCC(C(Cl)=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-4652882981 |
0.61 |
O=C1C=CC2(C)C3(C(CC4(C)C(O)(C(C)CC4C3CCC2=C1)C(CO)=O)Cl)Cl
|
|
| MCULE-3715918496 |
0.61 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=C(Cl)C(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-2582951504 |
0.61 |
C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
|
|
| MCULE-4046520863 |
0.61 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-8386752633 |
0.61 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-1844358842 |
0.61 |
[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
|
|
| MCULE-7110535304 |
0.61 |
C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
|
|
| MCULE-6144873686 |
0.61 |
C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
|
|
| MCULE-2454891288 |
0.61 |
C12(C)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-5394370706 |
0.61 |
C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
|
|
| MCULE-4320729921 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-4596748719 |
0.61 |
C12(CCC)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-6354515204 |
0.61 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
|
|
| MCULE-3655330509 |
0.61 |
OC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-6190365385 |
0.61 |
C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
|
|
| MCULE-3803033906 |
0.61 |
[C@]12(C)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-9060371972 |
0.61 |
C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
|
|
| MCULE-7375016319 |
0.61 |
[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
|
|
| MCULE-7299298141 |
0.61 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-7588379835 |
0.61 |
C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
|
|
| MCULE-2445362476 |
0.61 |
C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
|
|
| MCULE-3935898183 |
0.61 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-7321817046 |
0.61 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-4398945581 |
0.61 |
C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-5480996294 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-4114109251 |
0.61 |
C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
|
|
| MCULE-6325385060 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MCULE-6290581989 |
0.61 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-2740918613 |
0.61 |
CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
|
|
| MCULE-3161766037 |
0.61 |
C(O)(C1=CCCCCCCCCC1)=O
|
|
| MCULE-2582517969 |
0.61 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
|
|
| MCULE-3688392585 |
0.61 |
O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-8346653877 |
0.61 |
CC1CC(C)(C)CCC=1C(=O)O
|
|
| MCULE-9853941800 |
0.61 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
|
|
| MCULE-6072665694 |
0.61 |
C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-4504889503 |
0.61 |
[C@]12(C)CC[C@H](O)C(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C#N
|
|
| MolPort-039-141-999 |
0.61 |
CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-039-338-983 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-035-686-140 |
0.61 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-020-001-490 |
0.61 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-046-767-474 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[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)[C@@H]1C[C@@H]3O
|
|
| MolPort-046-153-810 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[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-039-339-047 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-046-509-028 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-011-252-644 |
0.61 |
CCCCCCCCC=CCCCCCCCC(Cl)=O
|
|
| MolPort-001-781-865 |
0.61 |
CCCCCCCC\C=C\CCCCCCCC(Cl)=O
|
|
| MolPort-042-678-978 |
0.61 |
CCCCCC\C=C/CCCCCCCC(Cl)=O
|
|
| MolPort-019-904-832 |
0.61 |
CC1CCC(=CC1)C(O)=O
|
|
| MolPort-039-239-507 |
0.61 |
CC1(C)CCC(=CC1)C(O)=O
|
|
| MolPort-039-060-935 |
0.61 |
CC1=C(CCC(C)(C)C1)C(O)=O
|
|
| MolPort-023-274-284 |
0.61 |
CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
|
|
| MolPort-035-706-224 |
0.61 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
|
|
| MolPort-027-641-344 |
0.61 |
CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
|
|
| MolPort-023-220-689 |
0.61 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-004-801-991 |
0.61 |
CC1(C)CCC=C(C1)C(O)=O
|
|
| MolPort-046-594-326 |
0.61 |
CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
|
|
| MolPort-004-769-059 |
0.61 |
OC(=O)C1CC2C=CC1C2=O
|
|
| MolPort-003-800-707 |
0.61 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C#N
|
|
| MolPort-002-524-727 |
0.61 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-112-811 |
0.61 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-534-834 |
0.61 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-038-386-562 |
0.61 |
CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
|
|
| MolPort-046-765-577 |
0.61 |
C[C@]12C[C@H](Cl)[C@]3(Cl)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CCC2(O)C(=O)C=O
|
|
| MolPort-002-833-196 |
0.60 |
CC(C)C(C)\C=C\C(C)C1CCC2C3CC(=O)C4CC(Cl)CCC4(C)C3CCC12C
|
|
| MolPort-039-338-551 |
0.60 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C(\CC(O)=O)C=O)C(=C)CC[C@@H]12
|
|
| MolPort-046-203-184 |
0.60 |
OC(=O)C1CCC=C1C=O
|
|
| MolPort-035-705-871 |
0.60 |
C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
|
|
| MolPort-046-153-747 |
0.60 |
C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
|
|
| MolPort-001-739-242 |
0.60 |
CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO
|
|
| MolPort-046-765-475 |
0.60 |
C[C@]12C[C@H](O)[C@H]3C([C@@H]1CC[C@]2(O)C(=O)CO)[C@H](O)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-006-167-816 |
0.60 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-765-282 |
0.60 |
[2H]C1=C2C(Cl)=C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H]2C[C@H]2C1=O
|
|
| MolPort-001-794-936 |
0.60 |
OC(=O)CC1=CCCCC1
|
|
| MolPort-001-740-913 |
0.60 |
C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
|
| MolPort-001-512-549 |
0.60 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N
|
|
| MolPort-000-829-116 |
0.60 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#C
|
|
| MolPort-000-207-693 |
0.60 |
COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-001-740-060 |
0.60 |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-000-745-547 |
0.60 |
CC12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
|
|
| MolPort-046-589-954 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-589-843 |
0.60 |
COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
|
|
| MolPort-046-596-264 |
0.60 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-001-785-935 |
0.60 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#C
|
|
| MolPort-046-596-590 |
0.60 |
CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-741-355 |
0.60 |
OC(=O)CCCCCCC\C=C/CC(O)=O
|
|
| MolPort-000-720-642 |
0.60 |
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-597-698 |
0.60 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
|
|
| MolPort-000-700-357 |
0.60 |
CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-046-426-723 |
0.60 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
|
|
| MolPort-046-419-080 |
0.60 |
C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-836-053 |
0.60 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
|
|
| MolPort-000-832-099 |
0.60 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
|
|
| MolPort-007-980-916 |
0.60 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-002-158-261 |
0.60 |
CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-002-354-182 |
0.60 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)CC#N
|
|
| MolPort-035-706-406 |
0.60 |
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
|
|
| MolPort-046-765-464 |
0.60 |
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)C12
|
|
| MolPort-002-911-093 |
0.60 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(O)C#C
|
|
| MolPort-046-765-414 |
0.60 |
CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
|
|
| MolPort-002-911-249 |
0.60 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-762-480 |
0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-666-244 |
0.60 |
CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
|
|
| MolPort-003-666-312 |
0.60 |
CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-668-919 |
0.60 |
CC1=C2CCC3C4C[C@@H](C#C)C(O)C4(C)CCC3C2CCC1=O
|
|
| MolPort-003-849-619 |
0.60 |
[2H]C1=C2C([2H])([2H])CC3C4CC[C@@](O)(C#C)C4(C)CCC3C2([2H])CC([2H])([2H])C1=O
|
|
| MolPort-003-861-444 |
0.60 |
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
|
|
| MolPort-003-891-893 |
0.60 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
|
|
| MolPort-003-929-763 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-027-641-194 |
0.60 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-023-221-722 |
0.60 |
COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-004-802-886 |
0.60 |
CC1CCC(O)=CC1=O
|
|
| MolPort-005-933-833 |
0.60 |
CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
|
|
| MolPort-021-804-783 |
0.60 |
CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O
|
|
| MolPort-021-804-631 |
0.60 |
CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
|
|
| MolPort-046-764-596 |
0.60 |
CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-765-289 |
0.60 |
[2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3CC[C@]12CC
|
|
| MolPort-046-765-288 |
0.60 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
|
|
| MolPort-009-198-793 |
0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-007-980-824 |
0.60 |
CCC12CCC3C(CCC4=CC(=O)CCC34)C1C[C@@H](C#C)C2O
|
|
| MolPort-046-765-250 |
0.60 |
C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
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| MolPort-035-706-434 |
0.60 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
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[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
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CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@]1(C)[C@H](O)CC2=C1CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
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0.60 |
C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#N
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0.60 |
[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.60 |
CC(=O)C(CC(O)=O)C1=C(O)CC(C)(C)CC1=O
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CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#N
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0.60 |
CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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0.60 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)[13C]#[13CH]
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0.60 |
CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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0.60 |
C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
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| MolPort-039-338-301 |
0.60 |
CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO
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|
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0.60 |
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
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0.60 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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|
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0.60 |
C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
| MCULE-1190191150 |
0.60 |
OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-5225374056 |
0.60 |
CC(C(CC1C2C=CC(CC2)C1)=O)O
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|
| MCULE-2546809155 |
0.60 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
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|
| MCULE-8654516173 |
0.60 |
C12(C)CCC(CC1C(=O)CC1C3C(C)(C(CC3)C(C)C=CC(C)C(C)C)CCC12)Cl
|
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| MCULE-3560182453 |
0.60 |
C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
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| MCULE-7888329175 |
0.60 |
C1(C(CCC)=O)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-4929710192 |
0.60 |
C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
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| MCULE-4134342158 |
0.60 |
[C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
|
|
| MCULE-7543238538 |
0.60 |
C(O)(=O)CCC1C(=O)CCCC=1
|
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| MCULE-3327848610 |
0.60 |
C1(CC2(C3CCC4(C)C(C(C)(O)C(CC(=C)C(O)(C)C)O)CCC4(O)C3=CC(=O)C2CC1O)C)O
|
|
| MCULE-8204848346 |
0.60 |
C1CC2(C(O)(CO)C(=CC(=O)C2C(C1O)(C)C)C)C
|
|
| MCULE-8330865460 |
0.60 |
C12C(Cl)=C[C@@H]3[C@H]4CC[C@](O)(C(=O)C)[C@@]4(CC[C@@H]3[C@]1(C)[C@H]1C[C@@H]1C(C=2)=O)C
|
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| MCULE-4110286960 |
0.60 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
|
|
| MCULE-1547137893 |
0.60 |
C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
|
|
| MCULE-5532388657 |
0.60 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
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|
| MCULE-1505073195 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
|
|
| MCULE-2776644728 |
0.60 |
C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C[C@@H](C#C)C2O
|
|
| MCULE-5855122450 |
0.60 |
C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
|
|
| MCULE-2444850987 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#N)C)=O
|
|
| MCULE-5380264709 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
|
|
| MCULE-2690578106 |
0.60 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#C)C)=O
|
|
| MCULE-6089018925 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
|
|
| MCULE-9068467553 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
|
|
| MCULE-6301437684 |
0.60 |
O=C1CCC2(C3CCC4(CC)C(O)(CCC4C3CCC2=C1)C#C)[H]
|
|
| MCULE-9909477927 |
0.60 |
OC(CC1CCCCC=1)=O
|
|
| MCULE-5828095144 |
0.60 |
[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-6711156232 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-4509039878 |
0.60 |
CC12C(CC#N)(O)CCC1C1CCC3C(C)(C1CC2)CCC(=O)C=3
|
|
| MCULE-5475119384 |
0.60 |
O=C1C=C2[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@](CC2)(O)C#C)(C)CC3)[H])(C)CC1
|
|
| MCULE-9685581403 |
0.60 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(O)C#N)=CC(=O)C1
|
|
| MCULE-2846082692 |
0.60 |
C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
|
|
| MCULE-6251052191 |
0.60 |
C12(C)CCC3C(CCC4=C(C(=O)CCC43)C)C1CC(C#C)C2O
|
|
| MCULE-8045534685 |
0.60 |
C(O)(C(CC)C1CCCCC=1)=O
|
|
| MCULE-2847349308 |
0.60 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
|
|
| MCULE-5277306782 |
0.60 |
O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
|
|
| MCULE-2615091969 |
0.60 |
O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-4216254522 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#C)C)=O
|
|
| MCULE-7929024326 |
0.60 |
C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
|
|
| MCULE-4269813571 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-7829183730 |
0.60 |
O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-9526433855 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-9075563464 |
0.60 |
O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
|
|
| MCULE-5587193921 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-2208148247 |
0.60 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(O)C#N)C)=O
|
|
| MCULE-2451101251 |
0.60 |
C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
|
|
| MCULE-9405848361 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2(O)C#C
|
|
| MCULE-9892383905 |
0.60 |
[C@]12(CC)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(O)C#C)[H]
|
|
| MCULE-8461044873 |
0.60 |
C1(C(CC(O)=O)C(C)=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-6541953240 |
0.60 |
C1CCC(C(C)(C(O)=O)C)=CCCC1
|
|
| MCULE-3629918410 |
0.60 |
O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
|
|
| MCULE-6728895797 |
0.60 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-7650700083 |
0.60 |
O=C1C2CC=CCC2(C)C(C(O)=C1)=O
|
|
| MCULE-4006235073 |
0.60 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-3410664208 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
|
|
| MCULE-1283162506 |
0.60 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-9797468470 |
0.60 |
CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
|
|
| MCULE-7491068561 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
|
|
| MCULE-3619310950 |
0.60 |
[C@]12(C=O)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-9672606479 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
|
|
| MCULE-2538866374 |
0.60 |
C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
|
|
| MCULE-9156628994 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
|
|
| MCULE-7895815151 |
0.60 |
O=C1C=CC(O)C2CC=CC(C21)C(O)=O
|
|
| MCULE-7121009768 |
0.60 |
C12(C(C)(C)C)C(=O)C(=O)C(=CC1C2(Cl)Cl)C(C)(C)C
|
|
| MCULE-6096990869 |
0.60 |
C(C)(C)(C)C1=CC(C(C(C1=O)Cl)(C(C)(C)C)Cl)=O
|
|
| MCULE-9418551163 |
0.60 |
C12(C)C(O)(CCC1C1C(CC2O)C2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-6086039312 |
0.60 |
O=C1C2(O)C(C)(CCC(O)C2)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2=C1)[H]
|
|
| MCULE-3331110138 |
0.60 |
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=CC(=O)[C@@]2(O)C[C@H]1O
|
|
| MCULE-8651982947 |
0.60 |
C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-2705141143 |
0.60 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
|
|
| MCULE-4060282567 |
0.60 |
O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
|
|
| MCULE-2893862044 |
0.60 |
[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
|
|
| MCULE-6161023222 |
0.60 |
C=C(Cl)CCCCC(=O)O
|
|
