| MolPort-002-507-399 |
1 |
C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)(C23)[C@@]1(O)CCC1=COC=C1
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| MolPort-001-740-886 |
1 |
C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)C1(O)CCC1=COC=C1
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|
| MCULE-2697615331 |
1 |
[C@]12(C)CCC[C@@]3(C)[C@]1([H])[C@@]([H])(C[C@@H](C)[C@]2(O)CCC1C=COC=1)OC3=O
|
|
| MCULE-3765811106 |
1 |
[C@]12(C)CCC[C@@]3(C)C1[C@@H](C[C@@H](C)[C@]2(O)CCC1C=COC=1)OC3=O
|
|
| MCULE-3896342809 |
0.84 |
[C@]12(C)CCC[C@](C)(C(O)=O)[C@]1([H])[C@H](O)C[C@@H](C)[C@]2(O)CCC1C=COC=1
|
|
| MCULE-6896727467 |
0.77 |
[C@@]1(O)(CCC2C=COC=2)[C@H](C)C(=O)C[C@@]2([H])C(CCC[C@]12C)(C)C
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| MCULE-7390761733 |
0.77 |
C1C(O)C2(C3CCC4(C(C(C5OC54C3(C)C(OC(C)=O)CC2C(C1OC(=O)C)(C)C)=O)C1=COC=C1)C)C
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|
| MCULE-7170772536 |
0.77 |
C1C(OC(C)=O)C2(C3CCC4(C(C(C5OC54C3(C)C(OC(C)=O)CC2C(C1O)(C)C)=O)C1=COC=C1)C)C
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| MolPort-005-945-094 |
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CC(=O)OC1CC(O)C2(C)C3CCC4(C)C(C(=O)C5OC45C3(C)C(CC2C1(C)C)OC(C)=O)C1=COC=C1
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| MolPort-005-945-093 |
0.77 |
CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(C(=O)C5OC345)C3=COC=C3)C12C
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0.76 |
C[C@@]12OC(=O)C3C[C@@H](C4=COC=C4)[C@@]4(C)[C@H](CC([O-])C5COCC6OC456)C13C[O+](C)(C)CC2=O
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| MolPort-046-684-166 |
0.76 |
CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)C1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)C1=COC=C1
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| MolPort-046-594-385 |
0.76 |
CC(=O)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C3C(=O)C(OC(C)=O)C2(C)C(CC3OC123)C1=COC=C1
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| MolPort-020-005-786 |
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CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)C1=COC=C1
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| MCULE-3006054052 |
0.76 |
C[C@]12[C@@]34O[C@]3([H])C[C@@H](C3C=COC=3)[C@]4(C)[C@H](C(=O)[C@@]1([C@@]13[C@](C[C@H]2O)([H])[C@]([C@@H](OC1)O)(C)[C@H](OC(=O)C)C[C@@H]3O)[H])OC(=O)C
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| MCULE-9693472400 |
0.76 |
[C@]123[C@@H](O)C[C@@H](OC(C)=O)[C@](C)([C@H](O)OC1)[C@]2([H])C[C@@H](O)[C@@]1(C)[C@@]24O[C@@H]2C[C@@H](C2C=COC=2)[C@]4(C)[C@@H](OC(=O)C)C(=O)[C@@]13[H]
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| MCULE-4812902197 |
0.76 |
CC(OC1C2(C)C3CC(O)C4(C)C56OC5CC(C5C=COC=5)C6(C)C(OC(C)=O)C(=O)C4C3(COC2O)C(O)C1)=O
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| MCULE-8991545911 |
0.76 |
[C@@H]1(O)C[C@@]2([H])[C@@]3(C[C@@H](C4C=COC=4)OC(=O)[C@@]3([H])C[C@@H]3OC(=O)[C@@H]([C@]23[H])C1)C
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C[C@@]12C[C@H](OC(=O)[C@H]1C[C@@H]1OC(=O)[C@@H]3C[C@H](O)C[C@@H]2[C@H]13)C1=COC=C1
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| MCULE-4779233433 |
0.75 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])[C@@H](OC(=O)C)C[C@]4([H])C(=O)O[C@H](C5C=COC=5)C[C@@]4(C)[C@]3([H])C1)C2
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| MCULE-6080533916 |
0.75 |
O=C(C1=COC=C1)C1C2(CCOCC2)C1
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0.75 |
CC(=O)O[C@H]1C[C@@H]2C(=O)O[C@@H](C[C@@]2(C)[C@@H]2C[C@@H]3C[C@H]([C@@H]12)C(=O)O3)C1=COC=C1
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0.74 |
O=C(C12COCC1C2)CC1=COC=C1
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O=C(C12COCC1C2)C1=COC=C1
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0.73 |
CC1OCC(CC2=COC=C2)(O)CC1
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0.73 |
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2C1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
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| MCULE-4225717446 |
0.72 |
CC1(C(C=O)(CC2=COC=C2)CCO1)C
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| MCULE-6988375008 |
0.72 |
OC(C12COCC1C2)CC1=COC=C1
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| MCULE-9854088421 |
0.72 |
COCC1CC(=O)C(C2=COC=C2)C1
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| MCULE-9923805383 |
0.72 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])C(=O)C[C@]4([H])C(=O)O[C@H](C5C=COC=5)C[C@@]4(C)[C@]3([H])C1)C2
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| MolPort-039-338-373 |
0.72 |
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@@H]21)OC3=O)C1=COC=C1
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0.71 |
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@]1(O)[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)C1=COC=C1
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| MCULE-2629802808 |
0.71 |
CC1(C(C(CC2=COC=C2)=O)CCO1)C
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| MCULE-2086472325 |
0.71 |
[C@@H]1(O)C[C@@]2([H])[C@@]3(C[C@@H](C4C=COC=4)OC(=O)[C@@]3([H])CC(=O)[C@]2(O)[C@H](C(O)=O)C1)C
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| MCULE-1772382200 |
0.71 |
CC(C1=COC=C1)(CC1COCC1)O
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| MolPort-019-936-773 |
0.70 |
CC1CC2OCC3(O)CCC(O)C(C23CO)C11CC(OC1=O)C1=COC=C1
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| MolPort-001-740-282 |
0.70 |
CC12CC(OC(=O)C1CCC1(C)C2CCC(O)C1(C)O)C1=COC=C1
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| MCULE-7940604793 |
0.70 |
OC(C12COCC1C2)C1=COC=C1
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| MCULE-5490099839 |
0.70 |
O=C(OC)[C@H]1[C@@]2(CC[C@]3(C(=O)O[C@H](C4C=COC=4)C[C@]3(C)[C@@]2([H])C(=O)[C@@H](OC(=O)C)C1)[H])C
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| MCULE-2585834276 |
0.70 |
C12(C)CC(C3C=COC=3)OC(=O)C1([H])CCC1(C)C(CC(OC(C)=O)C(=O)C21[H])C(OC)=O
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| MCULE-6889942711 |
0.70 |
O=C(OC)[C@H]1[C@@]2(CC[C@]3(C(=O)O[C@H](C4C=COC=4)C[C@]3(C)[C@@]2([H])C(=O)[C@@H](OC(=O)C)C1)[H])C
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| MCULE-6264202086 |
0.70 |
C1C(O)C2C3(C(=O)OC(C4C=COC=4)C3)C(C)CC3OCC(O)(C23CO)C1
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| MCULE-4995775334 |
0.70 |
C1C(O)C(O)(C)C2(C(C1)C1(C)C(CC2)C(=O)OC(C2C=COC=2)C1)C
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| MCULE-8659155902 |
0.70 |
CCC1OCC(CC2=COC=C2)(O)C1
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| MCULE-5429713177 |
0.70 |
[C@@H]1(O)CC2[C@@](C)(CC[C@H]([C@@]2(CCC2=COC=C2)C)C)[C@]2(OC2)[C@H]1O
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| MolPort-044-727-714 |
0.70 |
CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)C1=COC=C1
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| MolPort-001-741-715 |
0.70 |
C[C@@H]1CC[C@]2(C)C(C[C@@H](O)[C@H](O)[C@]22CO2)[C@@]1(C)CCC1=COC=C1
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| MCULE-3491244011 |
0.69 |
CC1C(C(C23COCC2C3)=O)=COC=1
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| MCULE-3464162637 |
0.69 |
CC1C(CC2=COC=C2)C(=O)CO1
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| MCULE-9941208449 |
0.69 |
CC(C1=COC=C1)(CC1OCCC1)O
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| MCULE-8010061613 |
0.69 |
CC1(C(C(C2=COC=C2)=O)CCO1)C
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| MCULE-8451854366 |
0.69 |
[C@]12([C@@]3([C@@]4(CO[C@]4(CO)CCC3)[C@H](O)C[C@H]1C)[H])C(=O)O[C@@H](C2)C1C=COC=1
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| MCULE-5339263533 |
0.69 |
C1[C@H](CC2[C@@]3(CO[C@]13CO)[C@H](O)C[C@H]([C@]12C(=O)OC(C2=COC=C2)C1)C)O
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| MolPort-001-740-818 |
0.69 |
C[C@@H]1C[C@@H](O)[C@@]23COC(O)[C@@H]2CCC[C@@H]3[C@@]11C[C@H](OC1=O)C1=COC=C1
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| MolPort-001-740-699 |
0.69 |
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]11C[C@H](OC1=O)C1=COC=C1
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0.69 |
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)CC3[C@@]11CC(OC1=O)C1=COC=C1
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| MolPort-039-052-572 |
0.69 |
COC(=O)C[C@H]1C(C)(C)[C@@H]2O[C@@]34C[C@H]2C(=O)[C@]1(C)[C@@]3(O)CC[C@@]1(C)[C@@H](OC(=O)C[C@@]41O)C1=COC=C1
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0.68 |
COC(=O)C1(C)CCC[C@]2(C)[C@@H](CCC3=C(OC=C3)C=O)[C@H](COC(C)=O)CCC12
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| MCULE-9115543312 |
0.68 |
[C@]12(C)CCCC(C)(C(OC)=O)C1CC[C@@H](COC(C)=O)[C@@H]2CCC1C=COC=1C=O
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| MCULE-1751049156 |
0.68 |
C12(C)CCCC(C)(C(O)=O)C1CCC(=C)C2CCC1C=COC=1
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| MCULE-9944547747 |
0.68 |
[C@]12(C)CCC[C@](C)(C(O)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1
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| MCULE-5529720499 |
0.68 |
COCC1CC(=O)C(C2C(C)=COC=2)C1
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| MCULE-1651151806 |
0.68 |
COCC1CC(C2=COC=C2)C(O)C1
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0.68 |
CC12CCCC(C)(C1CCC(=C)C2CCC1=COC=C1)C(O)=O
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0.68 |
C[C@@]12CCC[C@@](C)(C1CCC(=C)[C@H]2CCC1=COC=C1)C(O)=O
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0.68 |
C[C@]12CCC[C@@](C)(C1CCC(=C)[C@@H]2CCC1=COC=C1)C(O)=O
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0.67 |
C[C@]1(COC(=O)C2=CC=CC=C2)CCC[C@]2(C)[C@@H](CCC3=COC=C3)[C@H](COC(=O)C3=CC=CC=C3)CCC12
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0.67 |
CC1(COC(=O)C2=CC=CC=C2)CCCC2(C)C(CCC3=COC=C3)C(COC(=O)C3=CC=CC=C3)CCC12
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| MCULE-9104060866 |
0.67 |
CCC1C(CC2=COC=C2)(O)COC1
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| MCULE-7142762752 |
0.67 |
CC1C(C)C(CC2=COC=C2)(O)CO1
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| MCULE-3686408141 |
0.67 |
CC1C(CC2=COC=C2)C(O)CO1
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| MCULE-2216993745 |
0.67 |
CC1OCC(CC2=COC=C2)(O)C1
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| MCULE-1123275472 |
0.67 |
C12(C)CCCC(C)(COC(C3C=CC=CC=3)=O)C1CCC(COC(C1C=CC=CC=1)=O)C2CCC1C=COC=1
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| MCULE-6999783882 |
0.67 |
[C@@]123CC[C@](C(=O)O1)(C)[C@@]2(C)CC[C@@H](C)[C@@]13C[C@@H](OC1=O)C1C=COC=1
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| MolPort-005-945-334 |
0.67 |
C[C@@H]1CC[C@]2(C)[C@]3(C)CC[C@@]2(OC3=O)[C@@]11C[C@@H](OC1=O)C1=COC=C1
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0.66 |
COC(=O)[C@@H](O)[C@H]1[C@]2(C)CC3(O)C(C(=O)[C@H]2O)[C@]24O[C@]22CC(=O)O[C@@H](C5=COC=C5)[C@]2(C)CCC4[C@]13C
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| MolPort-003-983-869 |
0.66 |
COC(=O)[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
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| MCULE-4925946990 |
0.66 |
CC1(C(C(C2=COC=C2)O)CCO1)C
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| MCULE-5771459547 |
0.66 |
O1C(=O)[C@@]2([H])[C@@](C)([C@@]3([H])C(=O)[C@@H](OC(=O)C4=CC=CC=C4)C[C@@H](C(OC)=O)[C@]3(C)CC2)C[C@H]1C1C=COC=1
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| MCULE-8896126433 |
0.66 |
O=C(OC)C1C2(CCC3C(=O)OC(C4C=COC=4)CC3(C)C2C(=O)C(OC(=O)C2C=CC=CC=2)C1)C
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| MCULE-7286723367 |
0.66 |
CC1C(C(C23COCC2C3)O)=COC=1
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0.66 |
COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
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0.65 |
C\C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)[C@](C)(CC(=O)C2=COC=C2)C2CCC3OC3(C)[C@]12C
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0.65 |
CC1(C)[C@@H]2CC(=O)OC[C@@]22[C@H]3CC[C@]4(C)[C@@H](CC(=O)O[C@H]4C4=COC=C4)[C@@]33C[C@H](C1=O)[C@]2(O)O3
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| MCULE-9039930139 |
0.65 |
C1C(C(C[C@@]2(C)[C@H](C)[C@@H](OC(=O)C)[C@H]([C@@]3(C2CCC2C3(C)O2)C)OC(=O)/C(/C)=C/C)=O)=COC=1
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| MCULE-1435937863 |
0.65 |
CC1C(CC2=COC=C2)(O)COC1
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[C@]12(C)CCCC(C)(CO)C1CC[C@@H](CO)[C@@H]2CCC1C=COC=1
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[C@@H]12OC(=O)[C@@H]([C@@]3([H])[C@H]4OC(=O)[C@]5(O[C@@H](C6C=COC=6)C[C@@]5(C)[C@]3([H])C1)C4)C2
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| MCULE-7638162692 |
0.65 |
C12CC(C3C4CC5(C(C)(C3C1)CC(C1=COC=C1)O5)C(O4)=O)C(=O)O2
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0.65 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])[C@H]4OC(=O)[C@]5(O[C@@H](C6C=COC=6)C[C@@]5(C)[C@]3([H])C1)C4)C2
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| MCULE-8092003694 |
0.65 |
[C@@H]1(O)C[C@@]2([H])[C@]3(C)C[C@H](C4C=COC=4)O[C@@]43C(=O)O[C@@H](C4)[C@]2([H])[C@H](C(=O)O)C1
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| MCULE-3099808082 |
0.65 |
NC1(CCOCC1)CC(C1=COC=C1)=O
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CC1C(C(C2C(C)(C)OCC2)=O)=COC=1
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CC1(CO)CCC[C@]2(C)[C@@H](CCC3=COC=C3)[C@H](CO)CCC12
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C[C@@]12C[C@@H](O[C@@]11C[C@H](OC1=O)[C@@H]1[C@H]3C[C@@H](C[C@@H]21)OC3=O)C1=COC=C1
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| MolPort-035-705-825 |
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C[C@@]12C[C@@H](O[C@@]11C[C@H](OC1=O)[C@@H]1[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)C1=COC=C1
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| MolPort-020-006-038 |
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CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)C1=COC=C1
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| MolPort-035-706-425 |
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COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@@H]4[C@@H](O[C@]56CC(=O)O[C@@H](C7=COC=C7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)C2=O
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| MCULE-8161296062 |
0.64 |
COC1C(C(C2=COC=C2)=O)C1
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| MCULE-4100551278 |
0.64 |
[C@]1([H])([C@H](O)C(=O)OC)[C@@]2([C@@]3(O)[C@H]4[C@]5(O)[C@@]6(O[C@H]4C(=O)[C@]1(C)C3)CC(=O)O[C@@]([H])(C1C=COC=1)[C@]6(C)CC[C@]25[H])C
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| MolPort-046-158-511 |
0.64 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@@H]1C(=O)[C@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
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| MolPort-003-665-879 |
0.64 |
CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)[C@@H](CC2C1(C)C)OC(C)=O)C1=COC=C1
|
|
| MolPort-039-052-489 |
0.63 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1C[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
|
|
| MolPort-038-386-036 |
0.63 |
CC1(C)OC(CC(O)=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1
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|
| MolPort-019-936-816 |
0.63 |
CC(=O)OC1C2C(C)(C)O[C@H]3CC(=O)OC[C@@]23C2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]2(C)C1=O)C1=COC=C1
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| MolPort-001-742-490 |
0.63 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
|
|
| MolPort-001-742-451 |
0.63 |
CC1=CCC[C@@H]2[C@@](C)(CCC3=COC=C3)[C@@H](CC[C@@]12C)C(O)=O
|
|
| MolPort-039-052-486 |
0.63 |
CC(=O)O[C@H]1[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@@]23[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]2(C)C1=O)C1=COC=C1
|
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| MolPort-000-753-538 |
0.63 |
CC1(C)OC2CC(=O)OCC22C1CC(=O)[C@]1(C)C2CC[C@@]2(C)C(OC(=O)[C@H]3O[C@@]123)C1=COC=C1
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| MolPort-046-793-340 |
0.63 |
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@@H]4O[C@@]34[C@]12C)C1=COC=C1
|
|
| MCULE-9088475645 |
0.63 |
[C@@]123O[C@@H]1C(=O)O[C@@H](C1C=COC=1)[C@]2(C)CC[C@@]1([H])[C@@]3(C)C(O)C[C@@]2([C@]1(C)[C@@H](CC(OC(C)C)=O)OC2(C)C)[H]
|
|
| MCULE-7854070053 |
0.63 |
CC1OC(C)=C(C(C23COCC2C3)=O)C=1
|
|
| MCULE-8865291338 |
0.63 |
BrC1OC=C(CC(C23COCC2C3)=O)C=1
|
|
| MCULE-8523522186 |
0.63 |
NC(C12COCC1C2)CC1=COC=C1
|
|
| MCULE-5487895837 |
0.63 |
[C@@]123O[C@@H]1C(=O)O[C@@H](C1C=COC=1)[C@]2(C)CC[C@@]1([H])[C@@]3(C)C(=O)CC2[C@]1(C)[C@@H](CC(OC)=O)OC2(C)C
|
|
| MCULE-4313813841 |
0.63 |
[C@]123[C@H](O1)C(=O)O[C@@H](C1=COC=C1)[C@]2(C)CC[C@]1([H])[C@@]24COC(=O)C[C@]2([H])OC(C)(C)[C@]4([H])CC(=O)[C@@]31C
|
|
| MCULE-3181968621 |
0.63 |
O=C1OC[C@]23[C@](CC(=O)[C@@]4([C@]2([H])CC[C@]2(C)[C@]54O[C@@]5(C(=O)O[C@H]2C2C=COC=2)[H])C)([H])C(C)(C)O[C@@]3([H])C1
|
|
| MCULE-8208278078 |
0.63 |
C123OC1C(OC(C1C=COC=1)C2(C)CCC1C3(C)C(=O)CC2C31COC(CC3OC2(C)C)=O)=O
|
|
| MCULE-2600573283 |
0.63 |
O(C(C)=O)C1C2C(O[C@H]3CC(=O)OC[C@@]23C2[C@@](C1=O)([C@]13[C@](CC2)(C)[C@H](C2=COC=C2)OC(=O)[C@H]1O3)C)(C)C
|
|
| MCULE-2543744138 |
0.63 |
[C@@]1(C)(CCC2C=COC=2)[C@@H](CC[C@@]2(C)C(=CCC[C@@]21[H])C)C(O)=O
|
|
| MCULE-2071553510 |
0.63 |
CC1(C(C2=COC=C2)CCCC1)O
|
|
| MCULE-8454318012 |
0.63 |
C[C@@]1([C@H](C2=COC=C2)CCCC1)O
|
|
| MCULE-7741278803 |
0.63 |
NC(C12COCC1C2)C1=COC=C1
|
|
| MCULE-9094665782 |
0.63 |
C1C[C@]2([H])[C@@]3(C[C@](C4C=COC=4)([H])OC3=O)C(=C)CC[C@@]32C(=O)O[C@H]1C3
|
|
| MolPort-039-339-216 |
0.63 |
C=C1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]11C[C@H](OC1=O)C1=COC=C1)OC3=O
|
|
| MolPort-042-675-242 |
0.62 |
CC(=O)O[C@@H](CC(O)=O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@@]213)C1=COC=C1)C(C)(C)O
|
|
| MolPort-042-675-516 |
0.62 |
COC(=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@@]213)C1=COC=C1)C(C)(C)O
|
|
| MCULE-5677228818 |
0.62 |
CC1(C(CC2=COC=C2)(N)CCO1)C
|
|
| MCULE-1998844890 |
0.62 |
[C@@]1(C)(C2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@]43[C@]2(C)C(=O)C[C@H]1C(O)(C)C)C1C=COC=1)[C@H](CC(=O)O)OC(=O)C
|
|
| MCULE-5064724519 |
0.62 |
NC1(C(CC2=COC=C2)O)COCC1
|
|
| MCULE-6085556337 |
0.62 |
C1C(=O)O[C@H]([C@]2(C)CCC3[C@]4(C(=O)[C@]([C@H]5O[C@@]35C21)(O)[C@@H](OC(=O)C(C)C)C(C)(C)[C@]4([H])[C@H](C(=O)OC)O)C)C1=COC=C1
|
|
| MCULE-7987175273 |
0.62 |
C1C(=O)O[C@H]([C@]2(C)CCC3[C@]4(C(=O)[C@]([C@H]5O[C@@]35C21)(O)[C@@H](OC(=O)CC)C(C)(C)[C@]4([H])[C@H](C(=O)OC)O)C)C1=COC=C1
|
|
| MCULE-2847737556 |
0.62 |
O([C@@H]1[C@]2([C@]3([C@]([H])(CC1)[C@]1(C(O[C@@H](C1)C1C=COC=1)=O)[C@H](C)CC3=O)COC(=O)C)OC2)C(C)=O
|
|
| MCULE-6334359401 |
0.62 |
C1C(=O)O[C@H]([C@]2(C)CCC3[C@]4(C(=O)[C@]([C@H]5O[C@@]35C21)(O)[C@@H](OC(=O)C)C(C)(C)[C@]4([H])[C@H](C(=O)OC)O)C)C1=COC=C1
|
|
| MCULE-5222011463 |
0.62 |
C[C@]12CC[C@@]3([H])[C@](CC[C@]4([C@]3(C)CC[C@H](O)C4)[H])([H])[C@@]1(O)CC[C@]2(O)C1C=COC=1
|
|
| MCULE-6501596414 |
0.62 |
C1[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@]3(O)CC[C@]2(O)C2=COC=C2)C[C@@H](O)C1
|
|
| MCULE-4196146605 |
0.62 |
C1C(=O)C2(C34C(CC(C2C2(C(O)CC(=O)OC(C)(C)C21)C)O)(C(C1C=COC=1)OC(=O)C3O4)C)C
|
|
| MCULE-4728073228 |
0.62 |
CC1C(CC2=COC=C2)C(N)CO1
|
|
| MCULE-6867978397 |
0.62 |
C1C[C@]2(C)[C@]3(O[C@H]4CC(=O)C(C)(C)[C@H](CC(=O)OC)[C@@]4(C)[C@@H]1C3=C)CC(=O)O[C@H]2C1C=COC=1
|
|
| MCULE-5679974465 |
0.62 |
COC1C(C(C2=COC=C2)O)C1
|
|
| MolPort-005-945-356 |
0.62 |
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)[C@H]3O[C@@]33C(CC[C@]4(C)C3CC(=O)O[C@H]4C3=COC=C3)[C@@]1(C)C2=O
|
|
| MolPort-005-945-357 |
0.62 |
CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@@]2(C)C3CC[C@]4(C)C(CC(=O)O[C@H]4C4=COC=C4)[C@]33O[C@@H]3[C@]1(O)C2=O
|
|
| MolPort-005-945-358 |
0.62 |
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]33C(CC[C@]4(C)C3CC(=O)O[C@H]4C3=COC=C3)[C@@]1(C)C2=O
|
|
| MolPort-001-741-056 |
0.62 |
C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]22CO2)[C@@]11C[C@H](OC1=O)C1=COC=C1
|
|
| MolPort-039-138-786 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(O)CC[C@]34C)[C@]1(O)CCC2(O)C1=COC=C1
|
|
| MolPort-035-765-992 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)C1=COC=C1
|
|
| MolPort-001-741-361 |
0.62 |
CC12CC(O)C3C4(C)C(CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1)C(C)(C)OC(=O)CC4O
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|
| MolPort-005-945-383 |
0.62 |
COC(=O)C[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C
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|
| MolPort-046-790-383 |
0.62 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@H](CC[C@]3(C)[C@H]1[C@H](O)C2=O)OC(=O)CCCCCCC(O)=O)C1=COC(=O)C=C1
|
|
| MolPort-021-804-476 |
0.61 |
CC1CCC2(CO)C(CC(OC(C)=O)C=C2C(O)=O)C1(C)CCC1=COC=C1
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|
| MolPort-001-741-583 |
0.61 |
COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C
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|
| MolPort-039-141-878 |
0.61 |
CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](CC=C12)C1=COC=C1
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|
| MolPort-035-706-419 |
0.61 |
COC(=O)[C@@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C
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| MolPort-006-823-824 |
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CC(=O)OC1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C
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|
| MolPort-003-958-971 |
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CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C
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|
| MolPort-039-052-299 |
0.61 |
CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C
|
|
| MCULE-4391049679 |
0.61 |
C1(OC(=O)C)CC2C(C)(CCC3C=COC=3)C(C)CCC2(CO)C(C(O)=O)=C1
|
|
| MCULE-5738362067 |
0.61 |
CCCC1C(C2=COC=C2)(O)COC1
|
|
| MCULE-4474340355 |
0.61 |
C[C@@]12C(=O)C[C@@]3([H])C(C)(OC(=O)C[C@H](OC(=O)C)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@]231)C1C=COC=1)C
|
|
| MCULE-7858901224 |
0.61 |
C[C@@]12[C@H]3CC[C@@]4(C)[C@H](C5C=COC=5)OC(=O)[C@H]5O[C@]54[C@@]3(C(=O)C[C@H]1C(OC(=O)C[C@@H]2OC(=O)C)(C)C)C
|
|
| MCULE-8692560176 |
0.61 |
CC12C(CC3C(OC(=O)CC(OC(=O)C)C3(C)C1CCC1(C(C3=COC=C3)OC(=O)C3OC213)C)(C)C)=O
|
|
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0.61 |
C1C[C@]2([C@@H](OC(C[C@@]32C(=C)[C@H]1[C@@]1([C@H](C(C(C[C@@H]1O3)=O)(C)C)[C@@H](O)C(=O)OC)C)=O)C1C=COC=1)C
|
|
| MCULE-8472647969 |
0.61 |
C1[C@H](OC(C)=O)[C@]2(C)[C@@]3([H])CC[C@]4([C@]([H])(C5C=COC=5)CC=C4[C@]3(C)[C@H](O)[C@@H]3OC[C@@](C)([C@@]23[H])[C@@H]1OC(=O)C)C
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|
| MCULE-1410830961 |
0.61 |
NC1C(C(CC2=COC=C2)O)COC1
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|
| MCULE-1140818410 |
0.61 |
OC(C12CCCC1C2)CC1=COC=C1
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|
| MCULE-5633840427 |
0.61 |
[C@]12(C)CCCC(C)(C(OC)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1CO
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|
| MCULE-9061187939 |
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C1(O)CC2C(C)(CCC3C=COC=3)C(C)CCC32COC(=O)C3=C1
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|
| MCULE-4037864068 |
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OC1(C2=COC=C2)CC(C2CC2)OC1
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|
| MCULE-5229426506 |
0.61 |
C1C(CC(=O)CC1C1=COC=C1)=O
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|
| MCULE-9946987470 |
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OC(C1C2(CC2)C1)CC1=COC=C1
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|
| MCULE-8536737152 |
0.61 |
C1(C=COC=1)C(=O)CC(OCC)=O
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|
| MCULE-4960159194 |
0.61 |
C1[C@H](O)[C@]2([H])[C@@](C)(CCC3C=COC=3)[C@H](C)CC[C@@]32C[C@]3(C(OC)=O)C=1
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|
| MolPort-000-727-552 |
0.61 |
COC(=O)C1(C)CCC[C@]2(C)[C@@H](CCC3=C(CO)OC=C3)C(=C)CCC12
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|
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0.61 |
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=C(CO)OC=C3)C(=C)CCC12
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|
| MolPort-021-804-697 |
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CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=COC=C1
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|
| MolPort-020-717-436 |
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O=C1CCCCC1C1=COC=C1
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| MolPort-003-929-388 |
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CCOC(=O)CC(=O)C1=COC=C1
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| MolPort-039-052-690 |
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COC(=O)[C@]12C[C@]11CC[C@@H](C)[C@](C)(CCC3=COC=C3)[C@H]1[C@@H](O)C=C2
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CC(=O)OC1C(O)CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2CCC3C(=O)OC(CC3(C)C12)C1=COC=C1
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C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCC1=COC=C1)C(O)=O
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|
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COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=C(OC=C3)C=O)C(=C)CCC12
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|
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0.60 |
COC(=O)C1(C)CCC[C@]2(C)[C@@H](CCC3=C(OC=C3)C=O)C(=C)CCC12
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|
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C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CCC[C@]22CO2)[C@@]11C[C@H](O[C@H]1OC(C)=O)C1=COC=C1
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COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@@H]4[C@@](O)(O[C@]56CC(=O)O[C@@H](C7=COC=C7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)C2=O
|
|
| MCULE-8299810268 |
0.60 |
[C@@]12(C)CC[C@H]([C@@](CCC3C=COC=3)(C(O)=O)[C@@]1([H])CCC=C2C)C
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|
| MCULE-6427512198 |
0.60 |
CC1(C(C(C2=COC=C2)N)CCO1)C
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|
| MCULE-6689609888 |
0.60 |
[C@]12(C)CCCC(C)(C(OC)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1C=O
|
|
| MCULE-2919423373 |
0.60 |
O(C(C)=O)C[C@]12[C@@]([C@]3([C@H](OC(=O)C)O[C@@H](C3)C3C=COC=3)[C@H](C)CC1=O)(CCC[C@]12OC1)[H]
|
|
| MCULE-8412218463 |
0.60 |
COC1C(C(C2C(C)=COC=2)=O)C1
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|
| MCULE-2609079019 |
0.60 |
[C@]1([H])([C@H](O)C(=O)OC)[C@@]2([C@@]3(O)[C@H]4[C@]5(O)[C@@]6(O[C@@]4(O)C(=O)[C@]1(C)C3)CC(=O)O[C@@]([H])(C1C=COC=1)[C@]6(C)CC[C@]25[H])C
|
|
| MCULE-6007594512 |
0.60 |
CC1OCC(C2=COC=C2)(O)CC1
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|
| MCULE-4859576443 |
0.60 |
C1C[C@]2(C=O)[C@@]3([H])CC[C@]4(C)[C@@H](C5=COC(=O)C=C5)C[C@H]5O[C@@]45[C@]3([H])CC[C@]2([H])C[C@H]1O
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|
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0.60 |
[C@]12(C)CCC[C@](C)(C(OC)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1CN
|
|
| MCULE-6225332803 |
0.60 |
OC(CCC1=COC=C1)=O
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|
| MCULE-8598805588 |
0.60 |
BrC1OC=C(CC2C(=O)COC2)C=1
|
|
| MCULE-8490419907 |
0.60 |
[C@]12(C)C[C@@H](OC(C)=O)C3C(CC[C@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@@]1(O)CC[C@]2([H])C1C=CC(=O)OC=1
|
|
| MCULE-2716591514 |
0.60 |
CC1C(CC2C=C(Br)OC=2)C(=O)CO1
|
|
