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0.92 |
C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
|
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0.91 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
|
|
| MolPort-019-990-215 |
0.91 |
CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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| MolPort-003-892-348 |
0.91 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MCULE-8316425336 |
0.91 |
O=C(C12CCCCC1C2)C1CCCC=1
|
|
| MCULE-6340945460 |
0.91 |
O=C(C12CCCCC1C2)C1CCCCC=1
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|
| MCULE-6739386631 |
0.91 |
O=C(C1CCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-2754957448 |
0.91 |
O=C(C1CCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-1731235356 |
0.91 |
O=C(C1CCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-5865441641 |
0.91 |
O=C(C1CCCC=1)CC1CC2C(C2)CC1
|
|
| MCULE-7458844213 |
0.91 |
O=C(C1CCCC=1)C1CC2C(C2)CC1
|
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0.89 |
CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MCULE-1925425954 |
0.89 |
C12CCCCC1CCC(=O)C=2
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|
| MCULE-8180565288 |
0.89 |
O=C1C=C(CC2C3CCC(CC3)C2)CC1
|
|
| MCULE-9326244207 |
0.89 |
O=C(C1CCCC=1)C1CCC2(CC2)CC1
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|
| MCULE-1319324374 |
0.89 |
CC1CC=C(C(CC2CC=CC2)=O)CC1
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| MCULE-4374730563 |
0.89 |
O=C1CC2CCCCC2=C1
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| MCULE-8599123114 |
0.89 |
C12(C)CCCCC1=C(C)C(=O)CC2
|
|
| MCULE-1048579708 |
0.89 |
C12(C)CCCC(C)(C)C1=CC(=O)CC2
|
|
| MCULE-5631441050 |
0.89 |
C12CCCCC1(C)CCC(=O)C=2
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|
| MCULE-1342617339 |
0.89 |
C1CC2C3CCCCC3=CC(=O)C2CC1
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|
| MCULE-3926742898 |
0.89 |
O=C1C=CC2(CCCCC2)CC1
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|
| MCULE-1323244269 |
0.89 |
O=C(C1CCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-7781678672 |
0.89 |
C12CCCCC1C(CC(=O)C=2)C(C)C
|
|
| MCULE-8706542409 |
0.89 |
C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
|
|
| MCULE-3857929176 |
0.89 |
O=C1C=C(CC2C3C=CC(CC3)C2)CC1
|
|
| MCULE-2123440957 |
0.89 |
CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
|
|
| MCULE-2344630269 |
0.89 |
C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-8099197121 |
0.89 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-6135208734 |
0.89 |
CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
|
|
| MolPort-046-600-627 |
0.89 |
CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
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|
| MolPort-035-706-207 |
0.89 |
CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
|
|
| MolPort-044-723-195 |
0.89 |
C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
| MolPort-039-052-668 |
0.89 |
CC1(C)CC[C@]2(C)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]2C1
|
|
| MolPort-046-774-258 |
0.89 |
O=C1CCC2(CCCCCC2)C=C1
|
|
| MolPort-001-790-211 |
0.89 |
O=C1CCC2CCCCC2=C1
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|
| MolPort-002-511-291 |
0.89 |
CC(C)C1CC(=O)C=C2CCCCC12
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|
| MolPort-046-646-770 |
0.89 |
O=C1CC2(CCCCCC2)C=C1
|
|
| MolPort-003-913-461 |
0.89 |
O=C1CC2CCCCC2=C1
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|
| MolPort-046-203-126 |
0.89 |
O=C1CC2(CCCCC2)C=C1
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|
| MolPort-022-257-993 |
0.89 |
O=C1CC2CCCCCC2=C1
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|
| MolPort-020-173-604 |
0.89 |
O=C1CCC2(CCCCC2)C=C1
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|
| MolPort-002-706-878 |
0.86 |
CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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|
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0.86 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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0.86 |
CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
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0.86 |
CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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0.86 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
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|
| MolPort-035-757-683 |
0.86 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
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|
| MolPort-002-507-478 |
0.86 |
C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
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|
| MolPort-023-274-272 |
0.86 |
CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
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|
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0.86 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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|
| MolPort-002-509-923 |
0.86 |
CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
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|
| MolPort-002-511-077 |
0.86 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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|
| MolPort-002-517-271 |
0.86 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
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|
| MolPort-019-940-196 |
0.86 |
CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
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|
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0.86 |
C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-023-298-999 |
0.86 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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|
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0.86 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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|
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0.86 |
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
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|
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0.86 |
CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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|
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0.86 |
CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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|
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0.86 |
CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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0.86 |
CC(=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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0.86 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
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0.86 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(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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0.86 |
CC(=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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0.86 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
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0.86 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
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0.86 |
CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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0.86 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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0.86 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.86 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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0.86 |
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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0.86 |
CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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0.86 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
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0.86 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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0.86 |
C1(=O)CC23CC2(CCC3)C=C1
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0.86 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
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|
| MCULE-2014220888 |
0.86 |
O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
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0.86 |
O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
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0.86 |
O=C(C1CCCCC=1)CC1CC2C(C2)C1
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0.86 |
C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
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|
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0.86 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
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0.86 |
O=C(C1CCCC=1)CC1CC2C(C2)C1
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0.86 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
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| MCULE-2160116138 |
0.86 |
O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
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0.86 |
O=C(C12CCCC1C2)C1CCCC=1
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0.86 |
O=C(C12CCCC1C2)C1CCCCC=1
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0.86 |
C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
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0.86 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
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|
| MCULE-8902385122 |
0.86 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
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|
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0.86 |
C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
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| MCULE-1373086617 |
0.86 |
O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
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|
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0.86 |
[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
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| MCULE-8417547529 |
0.86 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
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|
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0.86 |
O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
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0.86 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
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0.86 |
C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
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0.86 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
|
|
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0.86 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
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|
| MCULE-7380885765 |
0.86 |
O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
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|
| MCULE-1327216619 |
0.86 |
CC1(CC(CC2CC=CC2)=CC(=O)C1)C
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|
| MCULE-4900297288 |
0.86 |
CC1CC(CC2CC=CC2)=CC(=O)C1
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0.86 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
|
|
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0.86 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
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|
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0.86 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
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0.86 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8690639813 |
0.86 |
[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
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|
| MCULE-6538426298 |
0.86 |
O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
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|
| MCULE-6738536824 |
0.86 |
O=C1C(C)=C2C(CCCC2(C)CC1)=O
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0.86 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
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|
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0.86 |
O=C(C1CCCC=1)C1C(C2CC2)C1
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|
| MCULE-2807643168 |
0.86 |
C1(C)CC(=O)C=C1CCCCC
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|
| MCULE-1903986936 |
0.86 |
CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
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|
| MCULE-9551990259 |
0.86 |
CC1=CC(=O)CC(CC)C1
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|
| MCULE-9290289108 |
0.86 |
C1(C)C(=O)C=CC(C(C)C)C1
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0.86 |
C1C(C[C@@H](CC=1C)CCC)=O
|
|
| MCULE-9392368882 |
0.86 |
C1=CC(CCC1(CCC)CCC)=O
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|
| MCULE-1887138472 |
0.86 |
O=C1C(C)C(CC)C(C)C(CC)=C1
|
|
| MCULE-9861301536 |
0.86 |
C1C(CC(CC=1C)CCC)=O
|
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| MCULE-7700432494 |
0.86 |
O=C(C1CCCCC=1)C1C2(CC2)C1
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|
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0.86 |
O=C(C1CCCC=1)CC1CC=CC1
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|
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0.86 |
O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
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|
| MCULE-2750952157 |
0.86 |
O=C(C1CCCCC=1)C1C(C2CC2)C1
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|
| MCULE-8800846446 |
0.86 |
CC(C1C(C(C2CCCC=2)=O)C1)(C)C
|
|
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0.86 |
CCCC1CC(C)=CC(=O)C1
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0.86 |
C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
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0.86 |
CC1=C(CC2C(CCCC2(C)C)C1)C=O
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|
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0.86 |
CC(C)C1CCC(C)=CC1=O
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|
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0.86 |
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
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|
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0.86 |
O=C(C1CCCCC1)C1=CCCCC1
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|
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0.86 |
CCC[C@@H]1CC(C)=CC(=O)C1
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|
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0.84 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-002-509-201 |
0.84 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-002-911-134 |
0.84 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
|
|
| MolPort-002-070-296 |
0.84 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MCULE-7455827757 |
0.84 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-6238783971 |
0.84 |
[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-5461214891 |
0.84 |
[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
|
|
| MCULE-9740579162 |
0.84 |
C1(C(C)=O)CC(=O)C(C)=CC1
|
|
| MCULE-1638755617 |
0.84 |
O=C(C)C1C(C=C(C)CC1)=O
|
|
| MCULE-7051793102 |
0.84 |
C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
|
|
| MCULE-5384019764 |
0.84 |
C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
|
|
| MCULE-2318177037 |
0.84 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
|
|
| MCULE-7241385729 |
0.84 |
C1(=O)C=C(C)CC(C)(C)C1C(C)=O
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|
| MCULE-7083384019 |
0.84 |
CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
|
|
| MCULE-1235419293 |
0.84 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
|
|
| MCULE-7535047148 |
0.84 |
CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
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0.84 |
CC(=O)C1CC=C(C)C(=O)C1
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|
| MolPort-002-506-958 |
0.84 |
CC(=O)C1C(=O)C=C(C)CC1(C)C
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|
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0.84 |
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-020-005-765 |
0.84 |
CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
|
|
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0.84 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
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|
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0.84 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
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0.84 |
CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
|
|
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0.84 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-038-386-020 |
0.83 |
CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
|
|
| MolPort-000-146-079 |
0.83 |
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-046-674-170 |
0.83 |
O=C1CC2(CCC2)C=C1
|
|
| MolPort-000-706-765 |
0.83 |
CC1=CC(=O)C2CC1C2(C)C
|
|
| MolPort-019-992-002 |
0.83 |
O=C1CCC2(CCCC2)C=C1
|
|
| MolPort-046-508-800 |
0.83 |
O=C1CC2(CCCC2)C=C1
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|
| MolPort-044-832-300 |
0.83 |
CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
|
|
| MCULE-8557116567 |
0.83 |
C12([H])C(C)CCC1([H])C(C)=CC2=O
|
|
| MCULE-3614421214 |
0.83 |
C1(C=O)=C(C)CCC(C(C)C)C1=O
|
|
| MCULE-4594101266 |
0.83 |
C1CC2(C)CC(=O)C=C2C1
|
|
| MCULE-4928649557 |
0.83 |
C1CC2C(=O)CC(C)(C)C=2CC1
|
|
| MCULE-5881773205 |
0.83 |
CC1CC(CC2CC=CCC2)=CC(=O)C1
|
|
| MCULE-3343421278 |
0.83 |
O=C1C=C(CC2CC=CCC2)CCC1
|
|
| MCULE-2320815624 |
0.83 |
C1CC2C(=O)CC(C)C=2CC1
|
|
| MCULE-5633160153 |
0.83 |
O=C1C=C(CC2CC=CC2)CC1
|
|
| MCULE-9790788139 |
0.83 |
O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
|
|
| MCULE-1142475318 |
0.83 |
C1(C)(C)C2CC1C(=CC2=O)C
|
|
| MCULE-6900112057 |
0.83 |
C1CCCC2C(=O)CC(C)C=2CCCCCC1
|
|
| MCULE-1175519180 |
0.83 |
C1C2C(=O)CCC=2CCC1
|
|
| MCULE-8950557153 |
0.83 |
C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
|
|
| MCULE-9382333306 |
0.83 |
C1(C)(C)CC(=O)C2=C(C)CCC12
|
|
| MCULE-2243940623 |
0.83 |
C1CC2CC2CCC(=O)C=1
|
|
| MCULE-5564101474 |
0.83 |
C1C(CC(CC=1C)(C)C)=O
|
|
| MCULE-4391727742 |
0.83 |
C1C(CC(CC=1C)C)=O
|
|
| MCULE-1027304648 |
0.83 |
O=C(/C=C1\CCCCC\1)CC1CC=CC1
|
|
| MCULE-7819289735 |
0.83 |
C1(CCCC(C)=C1C=O)(C)C
|
|
| MCULE-1064684832 |
0.83 |
C1(CCCC)C(=O)CC(C)(C)CC=1C
|
|
| MCULE-5575338469 |
0.83 |
C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-6370581589 |
0.83 |
CC=CC(CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-8149754044 |
0.83 |
C(C1=CC(C)CCC1)=O
|
|
| MCULE-9704056914 |
0.83 |
O=C(C1CCCCCCC=1)C1C2(CC2)C1
|
|
| MCULE-4195941884 |
0.83 |
CC(C1(C(C2CCCCC=2)=O)CC1)C
|
|
| MCULE-7594121913 |
0.83 |
C1(CCCCC1=O)=CCCCCCC
|
|
| MCULE-8040115902 |
0.83 |
C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
|
|
| MCULE-4948873814 |
0.83 |
C1(CCCCC1=O)=CC(CCCC)CC
|
|
| MCULE-7439135180 |
0.83 |
CC(C1(C(C2CCCC=2)=O)CC1)C
|
|
| MolPort-046-646-759 |
0.83 |
O=C1C=CCC11CCCCC1
|
|
| MolPort-027-949-819 |
0.83 |
CCC1(CC)CCC(=O)C=C1
|
|
| MolPort-000-811-412 |
0.83 |
CCCCC(CC)\C=C1\CCCCC1=O
|
|
| MolPort-003-931-189 |
0.83 |
CC1=CC(C)(C)CCC1=O
|
|
| MolPort-001-817-194 |
0.83 |
CCCCC(CC)\C=C1/CCCCC1=O
|
|
| MolPort-001-794-308 |
0.83 |
CC1=C(C=O)C(C)(C)CCC1
|
|
| MolPort-000-722-317 |
0.83 |
CCCCCC\C=C1/CCCCC1=O
|
|
| MolPort-044-615-516 |
0.83 |
CC(C)(C)C1CCC(=O)C=C1
|
|
| MolPort-023-197-958 |
0.83 |
CCC1(C)CCC(=O)C=C1
|
|
| MolPort-006-111-488 |
0.83 |
CC(C)C1CCC(=O)C=C1
|
|
| MolPort-044-623-113 |
0.83 |
CCC1CCC(=O)C=C1
|
|
| MolPort-019-997-258 |
0.83 |
CC(C)C1CC=C(C)C(=O)C1
|
|
| MolPort-000-701-433 |
0.83 |
CC1=CC(=O)CC(C)(C)C1
|
|
| MolPort-022-056-577 |
0.83 |
CCC1=CC(=O)CCC1
|
|
| MolPort-003-846-085 |
0.83 |
[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
|
|
| MolPort-001-781-500 |
0.83 |
CC1CC(C)=CC(=O)C1
|
|
| MCULE-1385714254 |
0.82 |
C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
|
|
| MCULE-7244392169 |
0.82 |
C1(=O)C2CCCC=2C(=O)C23CC12CCC3
|
|
| MCULE-1070952436 |
0.82 |
C1=CC2C3C4C5C6(C(=O)C=CC(=O)C26C4C=C5)C13
|
|
| MCULE-2587582031 |
0.82 |
O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
|
|
| MolPort-046-147-057 |
0.82 |
CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
|
|
| MCULE-1020785874 |
0.81 |
O=C(C12CCCC1C2)C1CCCCCC=1
|
|
| MCULE-5300332080 |
0.81 |
O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-8108304567 |
0.81 |
C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
|
|
| MCULE-3175746942 |
0.81 |
C12(C)C(=O)C=CC(CC1)C2(C)C
|
|
| MCULE-8220979425 |
0.81 |
CC1CC(CC/C=C(\C)/C)=CC(=O)C1
|
|
| MCULE-6708433496 |
0.81 |
C12CCC1C(=O)C=C2
|
|
| MCULE-6041020600 |
0.81 |
C12C(=O)C=CC(C1)CC2
|
|
| MCULE-7541137822 |
0.81 |
O=C1C=C(C2(C)C(C)C(C)C12C)C
|
|
| MCULE-5633538128 |
0.81 |
C12CCCC1(C)CC(=O)C=2C
|
|
| MCULE-5102413219 |
0.81 |
O=C(C1CCCCCC=1)C1C2(CC2)C1
|
|
| MCULE-1287633510 |
0.81 |
C1(CCCCCC)=CCCC1=O
|
|
| MCULE-4005939250 |
0.81 |
C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
|
|
| MCULE-6930955162 |
0.81 |
C1(CCCCC)C(=O)CCC=1C
|
|
| MCULE-9977163649 |
0.81 |
O=C1CC(C)(C)CC(C=O)=C1
|
|
| MCULE-4785640334 |
0.81 |
CC1CC(C(C2CCCC=2)=O)C1
|
|
| MCULE-4612727757 |
0.81 |
C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
|
|
| MCULE-7999733772 |
0.81 |
C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
|
|
| MCULE-2850571893 |
0.81 |
O=C(C1CCCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-7695357226 |
0.81 |
O=C(C1CCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-5924936253 |
0.81 |
CC1CC(C(C2CCCCC=2)=O)C1
|
|
| MCULE-6569061785 |
0.81 |
C1C2C(C1CC=C2C=O)(C)C
|
|
| MCULE-9894286158 |
0.81 |
O=C(C1CCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-6481056517 |
0.81 |
CC(C(C1CCCC=1)=O)C1CCC1
|
|
| MCULE-8226891771 |
0.81 |
CC(C1(C(C2CCCCCC=2)=O)CC1)C
|
|
| MCULE-6989137991 |
0.81 |
C1C(=O)CCC2([H])CC2([H])C=1
|
|
| MCULE-2643922279 |
0.81 |
C1(CCCCC)=CCCC1=O
|
|
| MCULE-1068654284 |
0.81 |
CC(C(C1CCCCC=1)=O)C1CCC1
|
|
| MolPort-002-509-716 |
0.81 |
O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
|
|
| MolPort-001-790-618 |
0.81 |
CC1(C)C2CC1C(C=O)=CC2
|
|
| MolPort-022-367-867 |
0.81 |
CC1(C)CC(=O)C=C(C1)C=O
|
|
| MolPort-000-837-794 |
0.81 |
CCCCCCC1=CCCC1=O
|
|
| MolPort-001-794-306 |
0.81 |
CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
|
|
| MolPort-002-512-272 |
0.81 |
O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
|
|
| MolPort-001-790-818 |
0.81 |
CCCCCC1=CCCC1=O
|
|
| MolPort-003-925-033 |
0.81 |
CCCCCC1=C(C)CCC1=O
|
|
| MCULE-3406692868 |
0.80 |
CC1(C(CC2C3C=CC(CC3)C2)=O)CC1
|
|
| MCULE-5212919737 |
0.80 |
CC(C(CC1C2C=CC(CC2)C1)=O)=C
|
|
| MCULE-9444397237 |
0.80 |
C1CCC(=O)C=CCCC1
|
|
| MCULE-5866062254 |
0.80 |
O=C(C1CC1)CC1C2C=CC(CC2)C1
|
|
| MCULE-9958324589 |
0.80 |
C1CCCC=C1C(=O)C
|
|
| MCULE-9285433930 |
0.80 |
C1(CCCCC=1)C(CC)=O
|
|
| MCULE-1280449807 |
0.80 |
CC1C(C(CC2C3C=CC(CC3)C2)=O)C1
|
|
| MCULE-2588670002 |
0.80 |
C1(CCCC=1)C(CCC)=O
|
|
| MCULE-6881426714 |
0.80 |
O=C1CCCCC1=CCCCC
|
|
| MCULE-5676927364 |
0.80 |
C(=O)(CC(C)C)C1CCCC=1
|
|
| MCULE-5034253909 |
0.80 |
C(C(C)C)(=O)C1CCCCC=1
|
|
| MCULE-4428185983 |
0.80 |
C1(CCCCC1=O)=CCC(C)C
|
|
| MCULE-3433190262 |
0.80 |
C1(CCCCCCCCCCC=1)C(C)=O
|
|
| MCULE-9696156059 |
0.80 |
C12CC(C3C(=O)C=CC(=O)C13)C1=C2C2CC1CC2
|
|
| MCULE-3035020921 |
0.80 |
C1CCCCC=C(C=O)C1
|
|
| MCULE-1981040221 |
0.80 |
C1CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
|
|
| MCULE-6858813637 |
0.80 |
C1=CC2CC1C1C(=O)C=CC(=O)C21
|
|
| MCULE-8714614317 |
0.80 |
C=CC(CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-8371261917 |
0.80 |
CC1C(=O)C2C(C3C=CC2C3)C(=O)C=1
|
|
| MCULE-9253654000 |
0.80 |
C1=CC2CC1C1C(=O)C=CC12
|
|
| MCULE-1445062394 |
0.80 |
C12(C)CC(C3C(C=CC(=O)C31)=O)C(C)=C2
|
|
| MCULE-2644888783 |
0.80 |
C(=O)(CC(C)C)C1CCCCC=1
|
|
| MCULE-7375388626 |
0.80 |
C1(CCCCC=1)C(CCC)=O
|
|
| MCULE-5040560976 |
0.80 |
O=C1C(=CC(CC)CC)CCCC1
|
|
| MCULE-6849313207 |
0.80 |
CC1CCCC(=O)C=1
|
|
| MolPort-028-603-498 |
0.80 |
CC(C)C\C=C1\CCCCC1=O
|
|
| MolPort-046-774-142 |
0.80 |
CCC1CC=CC(=O)C1
|
|
| MolPort-016-579-165 |
0.80 |
O=C\C1=C\CCCCCC1
|
|
| MolPort-046-025-087 |
0.80 |
CCC1=CCCCC1=O
|
|
| MolPort-016-634-464 |
0.80 |
CC1=CC(=O)C2C3CC(C=C3)C2C1=O
|
|
| MolPort-003-179-188 |
0.80 |
CC1=CC2(C)CC1C1C2C(=O)C=CC1=O
|
|
| MolPort-008-348-849 |
0.80 |
CC(C)C\C=C1/CCCCC1=O
|
|
| MolPort-001-793-302 |
0.80 |
CC1=CC(=O)CCC1
|
|
| MolPort-001-781-465 |
0.80 |
CC(=O)C1=CCCCC1
|
|
| MolPort-002-537-209 |
0.80 |
CC(=O)C1=C/CCCCCCCCCC\1
|
|
| MolPort-023-299-007 |
0.79 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
|
|
| MCULE-4315440442 |
0.79 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-6534635803 |
0.79 |
C12(CC1)C1C=CC2C2C1C(=O)C1C(C2=O)C2C3(CC3)C1C=C2
|
|
| MCULE-8192482534 |
0.79 |
O=C1C=CC2(C)C(C1)CC=CC2
|
|
| MCULE-7861636306 |
0.79 |
C1(=O)C[C@@H](CC=C1C)C(C)=C
|
|
| MCULE-7452592467 |
0.79 |
C1(=O)C[C@@H](CC=C1C)C(C)=C
|
|
| MCULE-4775236455 |
0.79 |
CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
|
|
| MCULE-6744252540 |
0.79 |
C1(=O)CC(CC=C1C)C(C)=C
|
|
| MCULE-1451736151 |
0.79 |
C1(C(=CC[C@H](C(C)=C)C1)C)=O
|
|
| MolPort-001-769-671 |
0.79 |
CC(=C)[C@H]1CC=C(C)C(=O)C1
|
|
| MolPort-002-279-706 |
0.79 |
O=C1C2C3C=CC(C2C(=O)C2C4C=CC(C12)C41CC1)C31CC1
|
|
| MolPort-044-727-244 |
0.79 |
CC1(C)CCCC(=C)C11CCC(C=O)=CC1
|
|
| MolPort-002-507-612 |
0.79 |
CC(=C)[C@@H]1CC=C(C)C(=O)C1
|
|
| MolPort-002-506-968 |
0.79 |
CC(=C)C1CC=C(C)C(=O)C1
|
|
| MolPort-045-998-145 |
0.78 |
O=C1C=CC(=O)C11CCCCC1
|
|
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0.78 |
CC1=CC(=O)CC(C)(C)C1=O
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|
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0.78 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
|
|
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0.78 |
O=C1C=C(CC2CC=CC2)CCCC1
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|
| MCULE-5531656338 |
0.78 |
CC1C(=O)C(C)(C)CC(=O)C=1
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|
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0.78 |
C1(=O)CCC(CC=C)(C)C=C1
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|
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0.78 |
O=C1C=C(CC2CC=CCC2)CCCC1
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|
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0.78 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
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|
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0.78 |
CC1C(=O)C(C)=C(C)C1C
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|
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0.78 |
CC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
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|
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0.78 |
C1C(CCCCC=1C)=O
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0.78 |
C1(CCCC)C(=O)CCC=1C
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0.78 |
C1C2CCC(CC2C=O)C=1
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|
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0.78 |
C1(CC2CCC1C=C2)C(C)=O
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|
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0.78 |
CC1CC(C(C2CCCCCCC=2)=O)C1
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0.78 |
C1(CCCCCC=1)C=O
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0.78 |
O=C(C1C2C1CCC2)CC1CC=CCC1
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C1(=O)C=CCCCC1
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0.78 |
O=C(C12CCCC1C2)CC1CC=CCC1
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0.78 |
O=C1C2CC=CCC2CC2CC=CCC21
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0.78 |
O=C(C1CC2C(C2)C1)CC1CC=CCC1
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0.78 |
O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1
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0.78 |
C12(CCC)CCC(C=C1CCCC2=O)=O
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C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
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0.78 |
C12(C)CCC(C=C1CCCC2=O)=O
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0.78 |
[C@]12(C)CCC(C=C1CCCC2=O)=O
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CCCCC1=C(C)CCC1=O
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CC1C(C)C(=O)C(C)=C1C
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CC(=O)C1CC2CCC1C=C2
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O=CC1CC2CCC1C=C2
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CCCCCC\C=C1\CCCC1=O
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O=CC1=CCCCCC1
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O=C[C@@H]1C[C@H]2CC[C@@H]1C=C2
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CCCCC1=CCCC1=O
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CC1=CC2CC(C1)CC(=O)C2
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0.77 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
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CC1=C2CCCC(=O)[C@@]2(C)CCC1=O
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CC12CCC(=O)C=C1CCCC2=O
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C[C@]12CCC(=O)C=C1CCCC2=O
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CCCC12CCC(=O)C=C1CCCC2=O
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CC1(C)CC=CC(=O)C1
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CC1(C)CCC(=O)C=C1
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CC(C)\C=C1\CCCCC1=O
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CC1CCC=CC1=O
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O=CC1=CCCCC1
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CC(C)\C=C1/CCCCC1=O
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CC1=CCCCC1=O
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CC1CC=CC(=O)C1
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CC1CCC(=O)C=C1
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CC1(C)CCC=CC1=O
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CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
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CCCCC\C=C(\CCCC)C=O
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0.77 |
O=C(C1CC1)CC1CC=CCC1
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CC1C(C(CC2CC=CCC2)=O)C1
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0.77 |
CC(C=CC1CC2C(C2)CC1)=O
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|
| MCULE-4823416344 |
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CC(C1(CC1)CC1C2C=CC(CC2)C1)=O
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|
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C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CCC(=O)C)C
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0.77 |
O=C(C1C2C1CCCC2)CC1CC=CC1
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|
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O=C(C1C2(CC2)C1)CC1CC=CCC1
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C12C3C(C4(C)C(CC3)CC(=O)CC4)CCC=1C(CC2)(C)C
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|
| MCULE-5882877418 |
0.77 |
C/C(/C)=C/C(CC1CC2C(C2)CC1)=O
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|
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0.77 |
CC1(C(CC2CC=CCC2)=O)CC1
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|
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0.77 |
CC1(C(C(CC2CC=CCC2)=O)C1)C
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|
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0.77 |
C1(=O)CC(C)(C)CC=C1
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C1(C)=CCCCC1=O
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0.77 |
C1(C)(C)C(=O)C=CCC1
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0.77 |
O=CC1(CC1)CC1C2C=CC(CC2)C1
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|
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0.77 |
CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
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|
| MCULE-4497275799 |
0.77 |
C1(CCCCC1=O)=CC(C)C
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|
| MCULE-5124770449 |
0.77 |
C1(=O)CCC(C)(C)C=C1
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|
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0.77 |
CC=CC(CC1CC2C(C2)CC1)=O
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|
| MCULE-3020606954 |
0.77 |
O=C1CC(C)(C)C2CC=CCC2C1(C)C
|
|
| MCULE-7619150531 |
0.77 |
CCCCC/C=C(\C=O)/CCCC
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|
| MCULE-9092365556 |
0.77 |
C(=O)C(CCCC)=CCCCCC
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|
| MCULE-7199540909 |
0.77 |
O=C(C1CCCCC1)CC1CC=CCC1
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|
| MCULE-7214232871 |
0.77 |
C1C2=CCCC(C(C)C)C2CC(C=O)C1C
|
|
| MCULE-2256614888 |
0.77 |
C1(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O
|
|
| MCULE-4042007732 |
0.77 |
C1(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-8004127409 |
0.77 |
C1(C2C3C4C2C2C5C6C7C(C54)(C3=O)C21C6C=C7)=O
|
|
| MCULE-1201927354 |
0.77 |
C1(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
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|
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0.77 |
CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
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O=C1C2[C@H]3C[C@H](C=C3)C2C(=O)C2[C@H]3C[C@H](C=C3)C12
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0.76 |
O=C1C2C3CC(C=C3)C2C(=O)C2C3CC(C=C3)C12
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CC(=C)[C@H]1CCC(C=O)=CC1
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0.76 |
CC(=C)C[C@]12CCC(=O)C=C1CCCC2=O
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|
| MCULE-1776810440 |
0.76 |
C=C(C)[C@H]1CCC(C=O)=CC1
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|
| MCULE-1284522477 |
0.76 |
C12C3C4C=CC1C(C4C(=O)C3)C(=O)C2
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|
| MCULE-9185909244 |
0.76 |
C1(=O)C2C3CC(C=C3)C2C(C2C3C=CC(C3)C21)=O
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|
| MCULE-2913420738 |
0.76 |
C(C)(=C)C1([H])CCC(=CC1)C=O
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|
| MCULE-2280015640 |
0.76 |
C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
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|
| MCULE-4531694532 |
0.76 |
C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12
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|
| MCULE-2488250148 |
0.76 |
C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21
|
|
| MCULE-3340613267 |
0.76 |
C12(C)C3C(C4C(C)(CC3)C(C(C)=O)CC4)CCC1=CC(=O)CC2=O
|
|
| MCULE-3020807810 |
0.76 |
C1=CC2CC1C(C2)C=O
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|
| MCULE-2011218266 |
0.76 |
CC(C(C1CCCCCC=1)=O)C1CCC1
|
|
| MCULE-4453341269 |
0.76 |
O=C1C2CC(C)=C(C)CC2C(C2CC(C)=C(C)CC21)=O
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|
| MCULE-6661177248 |
0.76 |
CC1CC(C(C2CCCCCC=2)=O)C1
|
|
| MCULE-4051240768 |
0.76 |
C12C3CCC(=O)C3(C)CCC=1C1C(C)(CC2)CC(=O)CC1
|
|
| MCULE-4387476121 |
0.76 |
C1C2CC=C(C)C(=O)C1C2(C)C
|
|
| MCULE-1944708514 |
0.76 |
C12CC(C=C1)CC2C(C)=O
|
|
| MCULE-7230877379 |
0.76 |
O=C1CCC(C2CC=CCC21)=O
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|
| MCULE-5160344949 |
0.76 |
O=C1C2C3C=CC(C3)C2C2C1C1CC2C=C1
|
|
| MCULE-6601187734 |
0.76 |
C1CC23CCC(=O)C2(CCCC3)CC=1
|
|
| MCULE-4900399116 |
0.76 |
C1CC2C(=O)C3CC=CCC3C(=O)C2CC=1
|
|
| MCULE-7929696567 |
0.76 |
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-6674224748 |
0.76 |
C[C@@]12C(=O)CC[C@]1([C@]1([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(=C)C1)[H])[H]
|
|
| MCULE-3619310950 |
0.76 |
[C@]12(C=O)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-1953446416 |
0.76 |
C12=CC(CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC2=C)=O)=O
|
|
| MolPort-000-157-846 |
0.76 |
O=CC1CC2CC1C=C2
|
|
| MolPort-001-793-711 |
0.76 |
CC(=O)C1C[C@@H]2C[C@H]1C=C2
|
|
| MolPort-042-676-343 |
0.76 |
O=CC1CC2CC1C=C2
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|
| MolPort-046-691-388 |
0.76 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
|
|
| MolPort-035-765-998 |
0.76 |
O=CC1C[C@@H]2C[C@H]1C=C2
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|
| MolPort-002-507-754 |
0.76 |
CC(=O)C1CC2CC1C=C2
|
|
| MolPort-044-755-206 |
0.76 |
C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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|
| MolPort-042-675-343 |
0.76 |
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-002-521-192 |
0.76 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
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|
| MolPort-035-706-531 |
0.76 |
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
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|
| MolPort-005-938-309 |
0.76 |
C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
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0.76 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
|
|
| MCULE-2137893098 |
0.75 |
C12C(C)(C)CCCC=1CC(C)C(C)(C(C)=O)C2
|
|
| MCULE-3804311142 |
0.75 |
C1C2CC(CC(=O)C)C(C2)C=1
|
|
| MCULE-5595700484 |
0.75 |
[H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O
|
|
| MCULE-7855057974 |
0.75 |
O=C(C1CCC1)CC1C2C=CC(CC2)C1
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|
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0.75 |
CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
|
|
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0.75 |
C1CC(CCC=1C)C(C)=O
|
|
| MolPort-002-559-654 |
0.75 |
CC1CC(C)=CC(C)[C@@H]1C=O
|
|
| MCULE-9761993676 |
0.75 |
C1=C(C)CC([C@@H](C=O)C1C)C
|
|
| MolPort-042-620-773 |
0.75 |
CC(=O)C1CCC(C)=C(C)C1
|
|
| MCULE-6735391183 |
0.75 |
C12C(C)(C)CCCC=1CC(C)C(C=O)C2
|
|
| MolPort-029-511-203 |
0.75 |
O=C1CCC2=C1CCC2
|
|
| MCULE-4834546197 |
0.75 |
C1=C(C)CCC(C=O)C1C
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|
| MolPort-002-510-659 |
0.75 |
CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MCULE-4639928435 |
0.75 |
C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MolPort-001-956-819 |
0.75 |
CC1C=C(C)CCC1C=O
|
|
| MCULE-5841728721 |
0.75 |
O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H]
|
|
| MolPort-000-745-819 |
0.75 |
CC1CC(C)=CC(C)C1C=O
|
|
| MCULE-3433336466 |
0.75 |
C1=C(C)CC(C(C=O)C1C)C
|
|
| MolPort-035-706-300 |
0.75 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-003-895-994 |
0.75 |
CC(=O)C1CCC(C)=CC1
|
|
| MolPort-046-792-981 |
0.75 |
CCCCC\C=C1\CCCC1=O
|
|
| MolPort-000-729-513 |
0.75 |
CC1CC2=C(CC1C=O)C(C)(C)CCC2
|
|
| MolPort-002-506-991 |
0.75 |
CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2
|
|
| MolPort-035-706-403 |
0.74 |
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
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|
| MolPort-002-507-391 |
0.74 |
C\C=C\C(=O)C1=C(C)CCCC1(C)C
|
|
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0.74 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2
|
|
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0.74 |
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]5CC[C@@]34C)[C@@H]2C1
|
|
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0.74 |
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]5CC[C@@]34C)=C2C1
|
|
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0.74 |
CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
|
|
| MCULE-7642080407 |
0.74 |
C12C=CC3C4C1C(=O)C1C(C4=O)C3C21
|
|
| MCULE-4490380859 |
0.74 |
O=C1CCC2(C)C3CC=C4C5(CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2(C1(C)C)[H])[H]
|
|
| MCULE-1741751705 |
0.74 |
C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC=C1[C@H]1[C@H](CCC(C1)(C)C)CC2)C
|
|
| MCULE-3830868177 |
0.74 |
CC1CC(CC2CC=CCC2)C(=O)CC1
|
|
| MCULE-9623046872 |
0.74 |
C1(=CCCC1)C(=O)C
|
|
| MCULE-2076771260 |
0.74 |
O=C1CC(CC2CC=CCC2)CCCC1
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| MCULE-2936092419 |
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CC(C(C)=O)CC1C2C=CC(CC2)C1
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C12(C)CCC(=O)CC1CCC1C3C(CCC21)=C(C)CC3
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CC(CCC1C2C=CC(CC2)C1)=O
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| MCULE-7459604539 |
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O=C1C(CC2CC=CCC2)CCCCC1
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| MCULE-3639141823 |
0.74 |
CC(C1(CC1)CC1CC=CCC1)=O
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CC(C(CC1CC=CCC1)=O)(C)C
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CC(/C=C1\CCC2(CC2)CC\1)=O
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O=CC1(CC1)CC1CC=CCC1
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| MCULE-4852376400 |
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O=CCCC1C2C=CC(CC2)C1
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C1C(=O)C=C(C(C)(C)C)C1
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| MCULE-4904029240 |
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C(C(C)C)(=O)C1CCCC=1
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CC(C=O)(CC1C2C=CC(CC2)C1)C
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| MCULE-2814899152 |
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O=CC1(CCCCC1)CC1CC=CCC1
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C1(CCCC=1)C(CC)=O
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CC(C=C1C(C2CC2)CCCC1)=O
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C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
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0.74 |
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]
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C12(C)CCC(=O)C=C1CCC2=O
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C1(=O)C=C2[C@](C)(C(=O)CC2)CC1
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[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
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C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
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C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
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C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
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C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
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[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
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[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
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C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
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C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
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C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
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C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
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O=C1CCC2=CC(CC[C@@]21C)=O
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[C@@]12(C)CCC(=O)C=C1CCC2=O
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[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
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[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
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C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
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C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
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C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
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O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
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C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
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C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
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C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
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C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
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C/C(/C)=C/CCC1CCCCC(=O)C=1
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C12C3C4C5C(C(C(=O)C1=O)C4CC3)C=CC25
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O=C(C1CC2C(C2)CC1)CC1CCCC=1
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| MCULE-5824284147 |
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O=C(C1C2C(C2)CCC1)CC1CCCC=1
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O=C(C12CCCCC1C2)CC1CCCC=1
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O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
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C1(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=C1
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C123C4C5C6C(C1(C(=O)CCC2=O)C5C=C4)C=CC36
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C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
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C12(C(C)=O)C3C4C5C(C1(C(C)=O)C4C=C3)C=CC25
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CC1C(CCC(O)=O)C2CCCCC2=CC1=O
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[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
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C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
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C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
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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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CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
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C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
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C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
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CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
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CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
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CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
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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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C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
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CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
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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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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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C[C@]12CCC(=O)C=C1CCC2=O
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C[C@H](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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C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
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CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
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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
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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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C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
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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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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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CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
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[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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[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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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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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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C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
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C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
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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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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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[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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C=CC(=O)C1=CCCC1
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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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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)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)C1=CCC2C3CC[C@H]4C[C@H](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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0.73 |
O=C1C=C2CCCCC32C1C1C(=O)C3C2CCCCC=21
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0.73 |
C1(CC2CC(C=C2)C1)=O
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C1(C(C)C=CCC1(C)C)C(=O)C=CC
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C12([H])CC=CC1([H])CC(=O)C2
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0.73 |
C1CC23C=CC2(CCCC3)CC1=O
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0.73 |
O=C1C2CC(C3CC=CC23)C1
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0.73 |
C1=CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
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0.73 |
C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O
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O=C1CC2C=CCCC12
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C\C=C\C(=O)C1C(C)C=CCC1(C)C
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CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
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CC1=C(C)CC(C)(CC1)C=O
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C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
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CC1=C(C)CC(CC1)C=O
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CC12CCC3C(CCC4=CCCCC34)C1CCC2=O
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CC(=O)CCC1=C(C)CCCC1(C)C
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C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O
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CC1CC(C)=CCC1C=O
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CC(=O)CC1CCC=C1
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C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
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O=C1CC2CC=CCC2C1
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C[C@H]1CC(C)=C(C)C[C@H]1C=O
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CC1=CCC(CC1)C=O
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CC1CC(C)=C(C)CC1C=O
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C[C@]12CCC3[C@@H](CC[C@H]4CC=CC[C@]34C)C1CCC2=O
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C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
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| MolPort-009-018-267 |
0.72 |
CCCCCC(=O)\C=C/C=O
|
|
| MolPort-044-623-130 |
0.72 |
CC(C)CC1=CC(C)CC1=O
|
|
| MolPort-023-220-126 |
0.72 |
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-001-837-773 |
0.72 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
|
|
| MolPort-023-219-645 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
|
|
| MolPort-044-183-250 |
0.72 |
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
|
|
| MolPort-046-761-018 |
0.72 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-027-835-537 |
0.72 |
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-027-835-865 |
0.72 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-046-596-275 |
0.72 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-019-937-181 |
0.72 |
CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
|
|
| MolPort-002-507-130 |
0.72 |
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-002-526-228 |
0.72 |
C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-005-945-648 |
0.72 |
CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-005-938-470 |
0.72 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-006-394-855 |
0.72 |
[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-046-793-264 |
0.72 |
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
|
|
| MolPort-002-510-661 |
0.72 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-007-980-884 |
0.72 |
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-005-934-866 |
0.72 |
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
|
|
| MolPort-008-155-613 |
0.72 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-002-507-146 |
0.72 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-008-322-980 |
0.72 |
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
|
|
| MolPort-005-932-301 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-002-530-358 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-002-507-411 |
0.72 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
|
|
| MolPort-019-940-199 |
0.72 |
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-690-133 |
0.72 |
[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
|
|
| MolPort-046-690-137 |
0.72 |
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-019-857-808 |
0.72 |
CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-002-524-552 |
0.72 |
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-039-138-901 |
0.72 |
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
|
|
| MolPort-046-764-826 |
0.72 |
[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-035-706-198 |
0.72 |
CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-001-742-443 |
0.72 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
|
|
| MolPort-000-772-330 |
0.72 |
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-000-739-076 |
0.72 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-000-738-106 |
0.72 |
CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-039-062-015 |
0.72 |
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-001-785-920 |
0.72 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-002-879-590 |
0.72 |
CC1=CC(=O)C2CC1C(C)=CC2=O
|
|
| MolPort-001-742-604 |
0.72 |
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-003-666-072 |
0.72 |
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-035-681-549 |
0.72 |
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-039-338-117 |
0.72 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MCULE-5070166283 |
0.72 |
C1(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-5588914917 |
0.72 |
O=CC1(CCC1)CC1C2C=CC(CC2)C1
|
|
| MCULE-8573249352 |
0.72 |
[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(C)=O
|
|
| MCULE-7688284225 |
0.72 |
C1(C=O)(C)CCC(C)=C(C)C1
|
|
| MCULE-7528842962 |
0.72 |
C1(C)C[C@H](C)[C@@H](CC=1C)C=O
|
|
| MCULE-4409286429 |
0.72 |
O=C1CCC2(C)C1(CCC1(C)C3(C)CCC4(C)CCC(C)(C)CC4(C3=CCC21)[H])[H]
|
|
| MCULE-5534930691 |
0.72 |
C1CC(CCC=1C)C=O
|
|
| MCULE-1842062313 |
0.72 |
CC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-5661083032 |
0.72 |
CC1C(C(CC2CC=CCC2)=O)CCC1
|
|
| MCULE-3487233745 |
0.72 |
C1(C)CC(C)C(CC=1C)C=O
|
|
| MCULE-9576334626 |
0.72 |
C(C1CC(C)=CC(C)C1C)=O
|
|
| MCULE-7643707180 |
0.72 |
C/C(/C)=C/C(CC1CC2C(C2)C1)=O
|
|
| MCULE-6337171250 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-9756913466 |
0.72 |
C12CCC3=CCCCC3C1CCC1(C)C(CCC21)=O
|
|
| MCULE-8536214911 |
0.72 |
C1C(=O)C2([H])CC2([H])C=CCC1
|
|
| MCULE-8109491654 |
0.72 |
[C@]12(C)CC[C@H]3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@@H]1CCC2=O
|
|
| MCULE-5966520622 |
0.72 |
C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
|
|
| MCULE-6078845553 |
0.72 |
CC1CC(C(CC2CC=CCC2)=O)C1
|
|
| MCULE-2910442456 |
0.72 |
CC=CC(CC1CC2C(C2)C1)=O
|
|
| MCULE-3489362645 |
0.72 |
CC(C=C1CC2CC(CC2)C1)=O
|
|
| MCULE-4392799968 |
0.72 |
C1(C=O)CCC(C)=C(C)C1
|
|
| MCULE-4014926214 |
0.72 |
CC1CC(C(CC2CC=CCC2)=O)CC1
|
|
| MCULE-8357419701 |
0.72 |
O=C(C1C2C1CCC2)CC1CC=CC1
|
|
| MCULE-3227878705 |
0.72 |
[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O
|
|
| MCULE-3080370181 |
0.72 |
C1CC2(CC(=O)CC2(C)CC=1)C
|
|
| MCULE-5790792765 |
0.72 |
O=C1C(CC2C3C=CC(CC3)C2)CCC1
|
|
| MCULE-5803858923 |
0.72 |
CC(C=CC1CC2C(C2)C1)=O
|
|
| MCULE-3814030883 |
0.72 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)C1CCC2=O
|
|
| MCULE-7994229276 |
0.72 |
O=C(C1CCC1)CC1CC=CCC1
|
|
| MCULE-1785744667 |
0.72 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
|
|
| MCULE-4728366427 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
|
|
| MCULE-4839802180 |
0.72 |
[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 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
|
|
| MCULE-1566569432 |
0.72 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
|
|
| MCULE-6305022030 |
0.72 |
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-8934502311 |
0.72 |
C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
|
|
| MCULE-1251158415 |
0.72 |
[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-3135517908 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-2147959975 |
0.72 |
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-4676598997 |
0.72 |
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-6552675485 |
0.72 |
C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
|
|
| MCULE-9549608104 |
0.72 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MCULE-3741444667 |
0.72 |
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-8997971805 |
0.72 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
|
|
| MCULE-8575606113 |
0.72 |
C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1
|
|
| MCULE-3390693428 |
0.72 |
C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
|
|
| MCULE-1412596642 |
0.72 |
[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-9848650209 |
0.72 |
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
|
|
| MCULE-6199732071 |
0.72 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-8197236760 |
0.72 |
CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
|
|
| MCULE-1387376761 |
0.72 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-2012587344 |
0.72 |
C1=CC2C3C4C5C(C(=O)C(=O)C2C4C=C5)C13
|
|
| MCULE-2575543658 |
0.72 |
C1(C2C(C3CC2C=C3)C2C(C3C(C4CC3C=C4)C12)=O)=O
|
|
| MCULE-6555171777 |
0.72 |
C12CC(C3C(=O)CC(=O)C13)C1=C2C2CC1CC2
|
|
| MolPort-006-118-512 |
0.71 |
CC(=O)C=CC1CCCCC1
|
|
| MolPort-005-944-505 |
0.71 |
C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
|
|
| MolPort-001-793-332 |
0.71 |
C[C@@H]1CCC(=C(C)C)C(=O)C1
|
|
| MolPort-001-766-015 |
0.71 |
CC1CCC(=C(C)C)C(=O)C1
|
|
| MolPort-001-760-005 |
0.71 |
O=C1CCCC=C1
|
|
| MolPort-002-537-951 |
0.71 |
CC(C)CC(=O)\C=C\CC(C)CC(C)(C)C
|
|
| MolPort-039-242-760 |
0.71 |
CC(=O)\C=C\C1CCCCC1
|
|
| MolPort-003-985-986 |
0.71 |
CC1CC(=O)C=C1C
|
|
| MolPort-002-509-760 |
0.71 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
|
|
| MolPort-044-649-596 |
0.71 |
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-039-339-172 |
0.71 |
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
|
|
| MolPort-000-829-390 |
0.71 |
CC1CC(CCC=C(C)C)=CCC1(C)C(C)=O
|
|
| MolPort-005-909-357 |
0.71 |
CC(C)=CCCC1=CCC(C)(CC1)C=O
|
|
| MolPort-023-331-417 |
0.71 |
CCC12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-035-706-319 |
0.71 |
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
|
|
| MolPort-000-724-948 |
0.71 |
CC1CC(CCC=C(C)C)=CCC1C=O
|
|
| MCULE-9308723337 |
0.71 |
CC(C1C(=CC(C)=O)CCCCC1)C
|
|
| MCULE-7256161983 |
0.71 |
C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O
|
|
| MCULE-6326954661 |
0.71 |
C1(/CCC(CC/1=O)([H])C)=C(\C)/C
|
|
| MCULE-4736378843 |
0.71 |
CC(C=O)(CC1CC=CCC1)C
|
|
| MCULE-9728121394 |
0.71 |
C1CC(C)(CCC#N)C=CC1=O
|
|
| MCULE-3225619905 |
0.71 |
C1(C(=O)C=CC(=O)C=1)C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=CCC[C@@H]12)C
|
|
| MCULE-2990920571 |
0.71 |
CC1(C(CC2CC=CC2)=O)CCCCC1
|
|
| MCULE-3057400120 |
0.71 |
C/C(/C)=C/C(CC1C2CCC(CC2)C1)=O
|
|
| MCULE-4078078854 |
0.71 |
CC(C(C)=O)CC1CC=CCC1
|
|
| MCULE-1952453345 |
0.71 |
C/C(/C)=C/C(C1C(C2CC2)C1)=O
|
|
| MCULE-2361055754 |
0.71 |
O=C(C1CCCCCC1)CC1CC=CC1
|
|
| MCULE-2429728192 |
0.71 |
CC(C=CC1C2CC3CC(C2)CC1C3)=O
|
|
| MCULE-8961312077 |
0.71 |
C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
|
|
| MCULE-9587444246 |
0.71 |
C1(=O)CC(C)C(C)=C1
|
|
| MCULE-4919875478 |
0.71 |
CC1C(=CC(C)=O)CCCCC1
|
|
| MCULE-1921650357 |
0.71 |
C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
|
|
| MCULE-3279653507 |
0.71 |
O=CC=CC1CC2C(C2)CC1
|
|
| MCULE-8227436556 |
0.71 |
C1(=O)CCCC=CCCCCCCCCCC1
|
|
| MCULE-7311518942 |
0.71 |
CC=CC(CC1C2CCC(CC2)C1)=O
|
|
| MCULE-8997101380 |
0.71 |
CC(C=C(CC1CCCCC1)C)=O
|
|
| MCULE-3385582028 |
0.71 |
C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
|
|
| MCULE-5207755083 |
0.71 |
C1(CCCC=C1)=O
|
|
| MCULE-4067407974 |
0.71 |
C/C(/C)=C/C(C1C(C(C)(C)C)C1)=O
|
|
| MCULE-4408401941 |
0.71 |
CCC1C(=CC(C)=O)CCCCC1
|
|
| MCULE-3424177321 |
0.71 |
CC(C=CC1CCCCC1)=O
|
|
| MCULE-4050021987 |
0.71 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
|
|
| MCULE-7672510075 |
0.71 |
C12C(=O)C(C3([H])C(=O)C=CC13[H])C=C2
|
|
| MCULE-1919718019 |
0.71 |
C1CC2CCC=C2C(C)(C)C1=O
|
|
| MCULE-9111462538 |
0.71 |
O=C1C(C)(C)C2=CCCCC2(C)CC1
|
|
| MCULE-5658801482 |
0.71 |
C1=CC2CC(=O)C3C(=O)CC1C23
|
|
| MCULE-5421418726 |
0.71 |
C1CC2CCCC=C2C(C)(C)C1=O
|
|
| MCULE-2126006986 |
0.71 |
C1(C)(C(C)=O)CC=C(CC1C)CC/C=C(\C)/C
|
|
| MCULE-8275719671 |
0.71 |
C1CC(C)(CCC=1CC/C=C(\C)/C)C=O
|
|
| MCULE-9427917092 |
0.71 |
C1(CCC=C(C)C)CC(C)C(CC=1)C=O
|
|
| MolPort-046-196-745 |
0.70 |
C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
|
|
| MolPort-002-516-984 |
0.70 |
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
|
|
| MolPort-044-637-462 |
0.70 |
CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
| MolPort-016-638-416 |
0.70 |
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
|
|
| MolPort-004-964-914 |
0.70 |
CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-035-706-203 |
0.70 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
|
|
| MolPort-002-530-019 |
0.70 |
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
|
|
| MolPort-001-742-062 |
0.70 |
CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
|
|
| MolPort-020-005-948 |
0.70 |
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
|
|
| MolPort-039-052-451 |
0.70 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-507-128 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-039-338-840 |
0.70 |
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-042-675-234 |
0.70 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
|
|
| MolPort-046-790-505 |
0.70 |
C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-002-709-805 |
0.70 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-044-754-142 |
0.70 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
|
|
| MolPort-002-841-841 |
0.70 |
CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
|
|
| MolPort-028-610-103 |
0.70 |
C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
|
|
| MolPort-046-790-393 |
0.70 |
CC(C)=C1C[C@H]2C(=C)CCC[C@]2(C)CC1=O
|
|
| MolPort-006-111-428 |
0.70 |
CCC=CCC1=C(C)CCC1=O
|
|
| MolPort-003-929-044 |
0.70 |
CC\C=C/CC1=C(C)CCC1=O
|
|
| MolPort-001-834-902 |
0.70 |
O=C1C(CCCC1=C1CCCCC1)=C1CCCCC1
|
|
| MolPort-002-514-318 |
0.70 |
CC\C=C\CC1=C(C)CCC1=O
|
|
| MCULE-4737898468 |
0.70 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MCULE-1005769729 |
0.70 |
C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
|
|
| MCULE-4914143446 |
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)C1=O
|
|
| MCULE-8877595522 |
0.70 |
[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]
|
|
| MCULE-1153477483 |
0.70 |
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
|
|
| MCULE-2400907851 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-3473010637 |
0.70 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
|
|
| MCULE-9707443606 |
0.70 |
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
|
|
| MCULE-6464655857 |
0.70 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MCULE-9765892541 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-8721851502 |
0.70 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
|
|
| MCULE-2700455616 |
0.70 |
C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
|
|
| MCULE-2579370760 |
0.70 |
C12CCCCC1(C)C=CC1=C(C)C(=O)CCC21
|
|
| MCULE-6957829896 |
0.70 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
|
|
| MCULE-8489443115 |
0.70 |
C12CC1(C)C(=O)CC(C)(C)C=C2
|
|
| MCULE-8076747851 |
0.70 |
O=C1C(C)(CC=C)C(C)C=C1CC=C
|
|
| MCULE-1952094862 |
0.70 |
O=C1CCC(C)=C1C/C=C/CC
|
|
| MCULE-2459463798 |
0.70 |
C1(C/C=C\CC)C(=O)CCC=1C
|
|
| MCULE-8490201471 |
0.70 |
C1(CC=CCC)C(=O)CCC=1C
|
|
| MCULE-5173487034 |
0.70 |
C1C2CC(C=CC2=O)C(=O)C=1
|
|
| MCULE-5078166082 |
0.70 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
|
|
| MCULE-8942278212 |
0.70 |
C12CCC3(C(CCC3=O)C1CCC1=CC(=O)CCC=21)C
|
|
| MCULE-7177776202 |
0.70 |
O=C1CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3CC[C@@]21C)=O
|
|
| MolPort-005-944-829 |
0.70 |
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
|
|
| MolPort-039-338-393 |
0.70 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
|
|
| MolPort-046-689-959 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
|
|
| MolPort-046-765-264 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
|
|
| MolPort-005-936-020 |
0.70 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
|
|
| MolPort-046-792-935 |
0.70 |
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-002-513-837 |
0.70 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
|
|
| MolPort-006-113-734 |
0.70 |
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-000-701-866 |
0.69 |
CCCC\C=C1/CCCC1=O
|
|
| MolPort-029-001-358 |
0.69 |
CC(=O)C1CCC=CC1
|
|
| MolPort-000-739-604 |
0.69 |
O=C1CCCC1=C1CCCC1
|
|
| MolPort-003-922-566 |
0.69 |
O=C1CCCCC\C=C/CC1
|
|
| MolPort-004-748-423 |
0.69 |
CC(C)=CC(=O)C1CCC(=O)CC1
|
|
| MolPort-046-691-207 |
0.69 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
|
|
| MolPort-002-506-941 |
0.69 |
CCCC\C=C1\CCCC1=O
|
|
| MolPort-002-510-272 |
0.69 |
CC(=O)\C=C\CC1[C@H]2CC[C@H](C2)C1(C)C
|
|
| MolPort-006-394-722 |
0.69 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-046-509-819 |
0.69 |
O=C1CC=CCC11CCCCC1
|
|
| MolPort-002-524-763 |
0.69 |
CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
|
|
| MolPort-002-558-775 |
0.69 |
CC(=O)C1C(=O)[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O
|
|
| MolPort-046-067-683 |
0.69 |
O=C1C2CCC[C@H]1C1=C(CCCC1)C2
|
|
| MolPort-003-940-820 |
0.69 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-027-640-632 |
0.69 |
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-706-329 |
0.69 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@@]21C
|
|
| MolPort-046-762-734 |
0.69 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-046-647-234 |
0.69 |
O=C1C2CCCC1C=CC2
|
|
| MolPort-002-690-624 |
0.69 |
C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3CCC2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-002-506-962 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-000-739-273 |
0.69 |
CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
|
|
| MolPort-002-524-060 |
0.69 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-003-666-031 |
0.69 |
C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
|
|
| MolPort-046-196-627 |
0.69 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-740-071 |
0.69 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
|
|
| MCULE-7818217503 |
0.69 |
C1CCC(=O)CCCC=1
|
|
| MCULE-4205891729 |
0.69 |
C1(/CCCC/1=O)=C1\CCCC\1
|
|
| MCULE-1556522580 |
0.69 |
C1(=O)CCC=CCCCCC1
|
|
| MCULE-7179807320 |
0.69 |
O=C1C=CC(C)C1(CC=C)C
|
|
| MCULE-5459126693 |
0.69 |
O=C(C1C2CC(CC2)C1)CC1CC=CC1
|
|
| MCULE-8979245765 |
0.69 |
O=C1C(CC2CC=CCC2)CCC1
|
|
| MCULE-7116827600 |
0.69 |
O=CC1(CCC1)CC1CC=CCC1
|
|
| MCULE-7704943892 |
0.69 |
C1(CC)CC(=O)CCCCC=C1
|
|
| MCULE-9061110786 |
0.69 |
C(=C(/C)\C)\C(=O)C1CCC(CC1)=O
|
|
| MCULE-9608185744 |
0.69 |
CC1CC(C=O)(CC2CC=CCC2)CC1
|
|
| MCULE-5395136417 |
0.69 |
[H]C1(C)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2CCC1=O)[H]
|
|
| MCULE-9709274473 |
0.69 |
CC(C=C1C2(CCCCC2)CC1)=O
|
|
| MCULE-3486573074 |
0.69 |
CC1C(=O)CCC1CC1CC=CCC1
|
|
| MCULE-1031499239 |
0.69 |
CC1(CC(=O)CC1)CC1CC=CCC1
|
|
| MCULE-7908633302 |
0.69 |
CC1C(C=O)(CC2CC=CCC2)CCC1
|
|
| MCULE-6729235185 |
0.69 |
C1(C)(C)C(CC=CC(=O)CC)CC=C1C
|
|
| MCULE-4641005233 |
0.69 |
O=CC1(CCCC1)CC1CC=CCC1
|
|
| MCULE-1130296851 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MCULE-7911152718 |
0.69 |
O=C1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1(C)C
|
|
| MCULE-1780261202 |
0.69 |
O=C1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
|
|
| MCULE-5189112501 |
0.69 |
C1(=O)C2C3C4C1C1C=CC5C1C4C1C3C2C(=O)C15
|
|
| MCULE-3440045209 |
0.69 |
O=C([C@H]1C[C@@H]2[C@@H](C2)C1)CC1CCCC=1
|
|
| MCULE-6595352093 |
0.69 |
O=C(C12CCCC1C2)CC1CCCC=1
|
|
| MCULE-7659859570 |
0.69 |
[C@]12(C)CC(C)=C(C[C@@]1([H])C(C(C(C)=O)C2=O)=O)C
|
|
| MCULE-1263670923 |
0.69 |
O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21
|
|
| MCULE-7782959791 |
0.69 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-2836304314 |
0.69 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-4240902847 |
0.69 |
C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
|
|
| MCULE-3980671232 |
0.69 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-9344488087 |
0.69 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
|
|
| MCULE-1842199780 |
0.69 |
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-2011201542 |
0.69 |
[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
|
|
| MCULE-9358636585 |
0.69 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-7325515313 |
0.69 |
C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
|
|
| MCULE-4823405948 |
0.69 |
[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
|
|
| MCULE-1707803932 |
0.69 |
CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C=C3)[H])([H])CC1
|
|
| MCULE-2912938140 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)C
|
|
| MCULE-9656399480 |
0.69 |
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
|
|
| MCULE-2665091779 |
0.69 |
C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-1984145844 |
0.69 |
C12(CC(C)(C)CC(C)(CC3CC(C)(C)CC(=O)C1=3)C2)C#N
|
|
| MCULE-8747875851 |
0.69 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])C=CC1=CC(=O)CC[C@]21C)C(=O)C
|
|
| MCULE-6793463685 |
0.69 |
O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
|
|
| MCULE-8807729080 |
0.69 |
[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
|
|
| MCULE-3991713113 |
0.69 |
O=C1C=C2[C@@]([C@]3([C@](C=C2)([H])[C@@]2([H])[C@]([C@H](CC2)C(=O)C)(C)CC3)[H])(C)CC1
|
|
| MCULE-4690967590 |
0.69 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
|
|
| MCULE-7472546811 |
0.69 |
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-8925145429 |
0.69 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
|
|
| MCULE-9151137367 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
|
|
| MCULE-7010605333 |
0.69 |
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
|
|
| MCULE-4586192863 |
0.69 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
|
|
| MCULE-5539918199 |
0.69 |
O=C1CCC2(C)C(=C1)C=CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-3556525470 |
0.69 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
|
|
| MCULE-9449984869 |
0.69 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-6482685801 |
0.69 |
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-2506206785 |
0.69 |
[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-5701652206 |
0.69 |
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-7642562558 |
0.69 |
C1(=O)C=C2[C@@](C)(CC1)[C@@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
|
|
| MCULE-7025674174 |
0.69 |
C(C=CC(=O)C)CCCCC
|
|
| MCULE-6700194065 |
0.69 |
C(/C(=O)C1CC1)=C(\C)/C1CC1
|
|
| MCULE-9493184913 |
0.69 |
O=CC1(CC1)CC1CC=CC1
|
|
| MCULE-8591003562 |
0.69 |
O=C(C1CC1)CC1CC=CC1
|
|
| MCULE-4119972169 |
0.69 |
O=CC1(CCCCC1)CC1CC=CC1
|
|
| MCULE-6392382167 |
0.69 |
CC(C(CC1CC=CC1)=O)=C
|
|
| MCULE-9162899306 |
0.69 |
CC1(C(CC2CC=CC2)=O)CC1
|
|
| MCULE-1670316367 |
0.69 |
C1(C)(C)C(CC=O)CC=C1C
|
|
| MCULE-3945470935 |
0.69 |
CC1C(C(CC2CC=CC2)=O)C1
|
|
| MCULE-8669270506 |
0.69 |
C(C(=O)C1CC1)=C(C)C1CC1
|
|
| MCULE-1243509764 |
0.69 |
C/C(/C)=C/CCC1C(=O)CCCC1
|
|
| MCULE-2742423586 |
0.69 |
O=C1CCCCCCCC=CCCCCCCC1
|
|
| MCULE-4937917272 |
0.69 |
CC1(C(C(CC2CC=CC2)=O)C1)C
|
|
| MCULE-1000113657 |
0.69 |
CC(C1(CC1)CC1CC=CC1)=O
|
|
| MCULE-5668746450 |
0.69 |
C(=CCCCC)CCCCCCCCCC=O
|
|
| MCULE-6683714278 |
0.69 |
O=CC1(CCCCCC1)CC1CC=CC1
|
|
| MCULE-9795786500 |
0.69 |
C/C(/C)=C/CCC1C(=O)CCCCC1
|
|
| MCULE-4157028706 |
0.69 |
O=C1C(CC2CC=CC2)CCCCC1
|
|
| MCULE-9564685678 |
0.69 |
C(CCCCCCCC=CCCCCCCCC)(CCCCCCCC=CCCCCCCCC)=O
|
|
| MCULE-4126828958 |
0.69 |
CC1(C(C)(C)C1C(CC1CC=CC1)=O)C
|
|
| MCULE-7136129743 |
0.69 |
CC1CC(C=O)(CC2CC=CC2)CCC1
|
|
| MCULE-9566632126 |
0.69 |
CC1C(C=O)(CC2CC=CC2)CCCC1
|
|
| MCULE-4533311081 |
0.69 |
CC1CC(CC/C=C(\C)/C)C(=O)CC1
|
|
| MCULE-9964577766 |
0.69 |
CC1CC(CC2CC=CC2)C(=O)CC1
|
|
| MolPort-003-892-478 |
0.69 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
|
|
| MolPort-046-765-329 |
0.69 |
C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
|
|
| MolPort-002-526-521 |
0.69 |
C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-003-892-389 |
0.69 |
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-762-739 |
0.69 |
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-002-524-276 |
0.69 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-790-350 |
0.69 |
C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
| MolPort-005-940-416 |
0.69 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-044-755-191 |
0.69 |
C[C@@]12CCC[C@H]1[C@H]1[C@H](CC2)[C@@]2(C)CCC=CC2=CC1=O
|
|
| MolPort-002-510-335 |
0.69 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
|
|
| MolPort-006-069-321 |
0.69 |
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
|
|
| MolPort-046-761-472 |
0.69 |
[2H]C([2H])([2H])C(=O)C1([2H])CC[C@H]2[C@@H]3C=CC4=CC(=O)C([2H])([2H])C[C@@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-046-596-273 |
0.69 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-940-383 |
0.69 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-083 |
0.69 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-002-800-192 |
0.69 |
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(C1)C#N
|
|
| MolPort-006-111-894 |
0.69 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-042-675-448 |
0.69 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
|
|
| MolPort-046-765-405 |
0.69 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
|
|
| MolPort-019-994-032 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-002-507-121 |
0.69 |
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
|
|
| MolPort-000-480-394 |
0.69 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-046-153-151 |
0.69 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-044-755-198 |
0.69 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-003-958-619 |
0.69 |
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
|
|
| MolPort-044-183-126 |
0.69 |
CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-002-506-874 |
0.69 |
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-841-842 |
0.69 |
CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
|
|
| MolPort-002-527-205 |
0.69 |
CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-153-169 |
0.69 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-003-940-126 |
0.69 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-526-574 |
0.69 |
CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-116-770 |
0.69 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-006-131-526 |
0.69 |
CCCC\C=C/CCCCCCCCCCCC=O
|
|
| MolPort-009-681-959 |
0.69 |
CC(=O)C=C1CCCCC1
|
|
| MolPort-002-706-538 |
0.69 |
C\C(=C\C(=O)C1CC1)C1CC1
|
|
| MolPort-003-928-545 |
0.69 |
CCCC\C=C/CCCCCCCCCC=O
|
|
| MolPort-001-757-789 |
0.69 |
CC1=CCC(CC=O)C1(C)C
|
|
| MolPort-022-880-989 |
0.69 |
O=C1CCCCCCC\C=C/CCCCCCC1
|
|
| MolPort-006-133-633 |
0.69 |
CCCCCC\C=C/CCCCCC=O
|
|
| MolPort-001-790-441 |
0.68 |
O=C1CC2C=CCC12
|
|
| MolPort-003-938-611 |
0.68 |
O=C1C[C@H]2C=CC[C@@H]12
|
|
| MolPort-001-816-845 |
0.68 |
O=C1CCCCC1C1=CCCCC1
|
|
| MolPort-003-938-563 |
0.68 |
O=C1C[C@@H]2C=CC[C@H]12
|
|
| MolPort-046-511-053 |
0.68 |
C[C@@H]1[C@@H]2C=CC[C@@H]2C1=O
|
|
| MolPort-046-588-886 |
0.68 |
O=CC1(CCCCC1)C1=CCCCC1
|
|
| MolPort-001-787-631 |
0.68 |
CC(C)=C1CCC(C)=CC1=O
|
|
| MolPort-001-766-682 |
0.68 |
CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C
|
|
| MolPort-023-274-284 |
0.68 |
CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
|
|
| MolPort-039-141-884 |
0.68 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
|
|
| MolPort-039-141-882 |
0.68 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
|
|
| MolPort-028-750-136 |
0.68 |
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-027-641-344 |
0.68 |
CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
|
|
| MolPort-002-932-776 |
0.68 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-007-980-854 |
0.68 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-529-087 |
0.68 |
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-001-742-450 |
0.68 |
C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
|
|
| MCULE-7421072365 |
0.68 |
C12C3C4C5C1C(C1C5C5C4C(CC5C1=O)C3=O)C=C2
|
|
| MCULE-2423386096 |
0.68 |
O=C(C1C2(CC2)C1)CC1CCCC=1
|
|
| MCULE-5216294937 |
0.68 |
O=C1C(C2CCCCC=2)CCCC1
|
|
| MCULE-4677342716 |
0.68 |
O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21)[H]
|
|
| MCULE-3533996454 |
0.68 |
C(=CC(CCC=C)=O)C1C(C)(C)CCC=C1C
|
|
| MCULE-4277041674 |
0.68 |
C1CC23C(=O)C(=O)C(=O)C2(CCCC3)CC=1
|
|
| MCULE-9440786663 |
0.68 |
O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)[H]
|
|
| MCULE-5560129850 |
0.68 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-8288730380 |
0.68 |
C1C(=O)C2C3CCC(C(C)=C3)C=2C(=O)C=1
|
|
| MCULE-5935828232 |
0.68 |
CC1(C(F)(F)C1)CC(C1CCCCC=1)=O
|
|
| MCULE-5309996615 |
0.68 |
CC1(C(F)(F)C1)CC(C1CCCC=1)=O
|
|
| MCULE-9724944282 |
0.68 |
FC1(C(CC(C2CCCC=2)=O)C1)F
|
|
| MCULE-7095338654 |
0.68 |
CC1CC=C(C(CC2C(F)(F)C2)=O)CC1
|
|
| MCULE-1863648617 |
0.68 |
C1[C@@]2(C)C(C(=O)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
|
|
| MCULE-9624215577 |
0.68 |
FC1(C(CC(C2CCCCC=2)=O)C1)F
|
|
| MCULE-7363650943 |
0.68 |
O=C1C=CC2(C)C3C(CC4(C)C(CCC4C3CCC2=C1)=O)=O
|
|
| MCULE-7591106214 |
0.68 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-2395006256 |
0.68 |
O=C1C=C[C@@]2(C)C(C(C[C@@]3([C@@]2(CC[C@@]2(C)[C@]3(CCC2=O)[H])[H])[H])=O)=C1
|
|
| MCULE-3935898183 |
0.68 |
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-4398945581 |
0.68 |
C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-7299298141 |
0.68 |
[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-6879064173 |
0.68 |
C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
|
|
| MCULE-2583415836 |
0.68 |
CC(CCC=C(CCC1C2(C)C(C(CCC2)(C)C)CC=C1C)C)=O
|
|
| MCULE-9819044866 |
0.68 |
C1([C@H](C)CCC([C@@H](CC=CC(C)(C)C1)C)=O)=O
|
|
| MCULE-4159649248 |
0.68 |
C(C1CC=C(CC=CC(C)C)CC1)=O
|
|
| MCULE-8955106048 |
0.68 |
C1(C)(C)C(=O)C2C(C)(C)C2C=C1
|
|
| MCULE-8739489327 |
0.68 |
C12C(C(=O)C1)CC=C2
|
|
| MCULE-7561172842 |
0.68 |
C1=CC2C3C4C(C(C(=O)C)C13)C=CC4C2C(=O)C
|
|
| MolPort-002-509-695 |
0.68 |
CC(=O)CC\C=C(\C)CCC1C(C)=CCC2C(C)(C)CCC[C@]12C
|
|
| MolPort-044-388-915 |
0.68 |
CC(=O)CCC=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
|
|
| MolPort-042-622-821 |
0.68 |
O=C1CCC(CC1)=C1CCC1
|
|
| MolPort-006-115-819 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CCC2=O
|
|
| MolPort-000-855-076 |
0.67 |
C\C=C\C(=O)C1C(C)=CCCC1(C)C
|
|
| MolPort-002-511-673 |
0.67 |
C\C(Cl)=C1/[C@H]2[C@@H](CC1=O)C2(C)C
|
|
| MolPort-046-153-152 |
0.67 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-747 |
0.67 |
C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
|
|
| MolPort-005-943-420 |
0.67 |
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-003-848-083 |
0.67 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-003-892-472 |
0.67 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-003-983-803 |
0.67 |
[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-046-196-836 |
0.67 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-042-694-235 |
0.67 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C=CCC[C@]31C
|
|
| MolPort-046-689-989 |
0.67 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-512-114 |
0.67 |
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-046-790-504 |
0.67 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
|
|
| MolPort-039-052-422 |
0.67 |
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
|
|
| MolPort-044-723-276 |
0.67 |
C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
|
|
| MolPort-039-009-099 |
0.67 |
CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-044-723-310 |
0.67 |
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
|
|
| MolPort-046-761-814 |
0.67 |
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
|
|
| MolPort-046-693-675 |
0.67 |
CC(=C)[C@H]1C[C@H](C#N)[C@@]2(C)CCC(=O)C=C2C1
|
|
| MolPort-001-739-597 |
0.67 |
CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
|
|
| MolPort-046-689-150 |
0.67 |
[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
|
|
| MCULE-5956607784 |
0.67 |
N[C@H]1[C@H](CC(C2CCCCC=2)=O)CCC1
|
|
| MCULE-2282209257 |
0.67 |
NC1C(CC(C2CCCCC=2)=O)CCC1
|
|
| MCULE-5119373215 |
0.67 |
NC1CC(C(C2CCCCC=2)=O)C1
|
|
| MCULE-1479199763 |
0.67 |
C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
|
|
| MCULE-1010776591 |
0.67 |
C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
|
|
| MCULE-9813376800 |
0.67 |
[C@]12(C)CCC(=O)C=C1C[C@H](C[C@@H]2C#N)C(=C)C
|
|
| MCULE-3056545668 |
0.67 |
NC1CC(C(CC2CC=CCC2)=O)=CC1
|
|
| MCULE-6520929159 |
0.67 |
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-5532688938 |
0.67 |
C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
|
|
| MCULE-4134342158 |
0.67 |
[C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
|
|
| MCULE-7117901308 |
0.67 |
C1CC2(C)C3C(=O)CC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-8193803152 |
0.67 |
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-8869963478 |
0.67 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-6821384626 |
0.67 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
|
|
| MCULE-2196052177 |
0.67 |
[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-1874567277 |
0.67 |
[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-8041079323 |
0.67 |
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-1627239407 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
|
|
| MCULE-8499932204 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
|
|
| MCULE-1912400907 |
0.67 |
C12C=C(C)C(CC1C2(C)C)C(C)=O
|
|
| MCULE-8411365540 |
0.67 |
O=C1[C@@H]2C=C[C@@H](CC2)C1
|
|
| MCULE-7495390356 |
0.67 |
C1(=O)C(CCCC1C1CCCCC=1)CC1CCCC(C2CCCCC=2)C1=O
|
|
| MCULE-8485600766 |
0.67 |
O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
|
|
| MCULE-2417213379 |
0.67 |
CC1(C(C(CC2CC=CC2)=O)CCC1)C
|
|
| MCULE-8303528132 |
0.67 |
CC1(C(CC2CC=CC2)=O)CCCC1
|
|
| MCULE-2258345539 |
0.67 |
O=CC1(C2CC(CC2)C1)CC1CC=CC1
|
|
| MCULE-4673155716 |
0.67 |
C(/C1=C(C(=O)CCC1(C)C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C
|
|
| MCULE-5903352413 |
0.67 |
CCCCCC1CC(=CC(=O)C1)O
|
|
| MCULE-3468058170 |
0.67 |
C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-9582195314 |
0.67 |
C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-1042513157 |
0.67 |
NC1(C(CC2C3C=CC(CC3)C2)=O)CC1
|
|
| MCULE-6006770933 |
0.67 |
CC(C=C(CC1CCCC1)C)=O
|
|
| MCULE-7382104000 |
0.67 |
CC(C(/C=C(\C)/C)=O)C1CCC1
|
|
| MCULE-1386072685 |
0.67 |
O=CC=CC1CC2C(C2)C1
|
|
| MCULE-8993173727 |
0.67 |
C1(C)(C)C(=O)C2([H])CC2([H])CC=C1
|
|
| MCULE-6557651976 |
0.67 |
C1(=O)C2C=CC(=O)C2C=C1
|
|
| MCULE-6839835548 |
0.67 |
C1C(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)=C(C)C(=O)C1
|
|
| MCULE-2300065923 |
0.67 |
C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
|
|
| MCULE-8388310463 |
0.67 |
CC1C(C(CC2CC=CC2)=O)CCC1
|
|
| MCULE-4752119585 |
0.67 |
C1C(CC=CC1)C=O
|
|
| MCULE-9075563464 |
0.67 |
O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
|
|
| MCULE-1433114220 |
0.67 |
O=C(C1CC2(CCC2)C1)CC1CC=CC1
|
|
| MCULE-7543573924 |
0.67 |
C(C1CC=CCC1C)=O
|
|
| MCULE-7703110506 |
0.67 |
CC1CC(C(CC2CC=CC2)=O)CC1
|
|
| MCULE-3023805815 |
0.67 |
C12(CC=C(C(=O)C1)C)C(=C)CCC(Br)C2(C)C
|
|
| MolPort-001-792-446 |
0.67 |
CC1CC=CCC1C=O
|
|
| MolPort-002-538-677 |
0.67 |
O=C1C(CC2CCCC(C2=O)C2=CCCCC2)CCCC1C1=CCCCC1
|
|
| MolPort-002-915-935 |
0.67 |
CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-023-332-906 |
0.67 |
CCCCCC1CC(O)=CC(=O)C1
|
|
| MolPort-002-550-644 |
0.67 |
O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1
|
|
| MolPort-046-690-270 |
0.67 |
C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=O
|
|
| MolPort-002-506-978 |
0.67 |
CC1CCC2C(C)(C)CCCC2(C)C1CC\C(C)=C/CCC(C)=O
|
|
| MolPort-001-791-806 |
0.67 |
O=CC1CCC=CC1
|
|
| MolPort-002-915-936 |
0.67 |
CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-046-688-079 |
0.67 |
CC(C1CC=C(C)C(=O)C1)C(O)=O
|
|
| MolPort-003-848-321 |
0.67 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=O
|
|
| MolPort-046-682-009 |
0.67 |
CC1=CCC2(CC1=O)C(=C)CCC(Br)C2(C)C
|
|
| MolPort-046-682-364 |
0.67 |
O=C1CC2CC[C@H]1C=C2
|
|
| MolPort-002-915-848 |
0.67 |
O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
|
|
| MolPort-035-775-548 |
0.67 |
O=C1C[C@@H]2CC[C@H]1C=C2
|
|
| MolPort-004-964-306 |
0.67 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
|
|
| MCULE-8464537126 |
0.66 |
CC12C(O)CCCC1=CC(=O)CC2
|
|
| MCULE-8008111833 |
0.66 |
[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-4121463357 |
0.66 |
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-9301209033 |
0.66 |
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-3632970812 |
0.66 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-3559356203 |
0.66 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-5797410500 |
0.66 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-9780635677 |
0.66 |
[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
|
|
| MCULE-1585586063 |
0.66 |
C12C(CCC(=O)C=1)CC(C(O)=O)C2
|
|
| MCULE-9448141357 |
0.66 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MCULE-4757761406 |
0.66 |
C12=CC(=O)C(C(C#N)(C(C#N)C#N)C#N)CC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2
|
|
| MCULE-7712069033 |
0.66 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
|
|
| MCULE-2810354958 |
0.66 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-8297407788 |
0.66 |
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
|
|
| MCULE-4464721001 |
0.66 |
C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1
|
|
| MCULE-3353799719 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
|
|
| MCULE-3516804753 |
0.66 |
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-9024219601 |
0.66 |
C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
|
|
| MCULE-2390783905 |
0.66 |
[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-4963816026 |
0.66 |
O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
|
|
| MCULE-7022735372 |
0.66 |
C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-2832089707 |
0.66 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
|
|
| MCULE-7932579394 |
0.66 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-2170216646 |
0.66 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
|
|
| MCULE-7899364914 |
0.66 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-8302753934 |
0.66 |
C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
|
|
| MCULE-4203969651 |
0.66 |
C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
|
|
| MCULE-1183560917 |
0.66 |
C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
|
|
| MCULE-6769530046 |
0.66 |
C(C1CC=C(CC1C)C)=CC(C)=O
|
|
| MCULE-3393820020 |
0.66 |
C1(C(C)=O)C(=O)C(=CC1=O)C
|
|
| MCULE-2325358551 |
0.66 |
C1(C(CC)=O)C(C)=CCC(C(C)C)C1
|
|
| MCULE-5354591097 |
0.66 |
C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1
|
|
| MCULE-4541255966 |
0.66 |
C(=CC(C)=O)C1C(C)CC(=CC1C)C
|
|
| MCULE-7389041577 |
0.66 |
CC1=C(CC=O)C(C)(C)CCC1
|
|
| MCULE-2525498529 |
0.66 |
C=CC(CC1CC=CC1)=O
|
|
| MCULE-2447853309 |
0.66 |
C(=CC(=O)C)CCCCC
|
|
| MCULE-1529769635 |
0.66 |
CC(C(C)=O)CC1CC=CC1
|
|
| MCULE-9484484276 |
0.66 |
C1C[C@@]2([H])[C@]3(C)CC[C@@]4(C)C[C@@](CC/C=C(/C)\C)(C)CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C1=O
|
|
| MCULE-9513927762 |
0.66 |
CC1C2(C)CCC3C4(C)CCC(CC/C=C(\C)/C)(C)CC4(C)CCC3(C)C2CCC1=O
|
|
| MCULE-9251134385 |
0.66 |
O=CC=CC1C2CC3CC(C2)CC1C3
|
|
| MCULE-7703543535 |
0.66 |
C1(C)(CC/C=C(\C)/C)CC(C)(C)CC(=O)C1
|
|
| MCULE-2270030217 |
0.66 |
C1(C=O)CCCC=1
|
|
| MCULE-8631883359 |
0.66 |
CC(C(CC1CC=CC1)=O)(C)C
|
|
| MolPort-046-765-581 |
0.66 |
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC=C2C(=O)C=O
|
|
| MolPort-046-761-519 |
0.66 |
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
|
|
| MolPort-046-761-514 |
0.66 |
[2H]C([2H])([2H])C([2H])(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)C([2H])([2H])[2H]
|
|
| MolPort-030-084-563 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
|
|
| MolPort-027-720-808 |
0.66 |
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
|
|
| MolPort-002-911-143 |
0.66 |
C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-002-800-179 |
0.66 |
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
|
|
| MolPort-023-299-005 |
0.66 |
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
|
|
| MolPort-039-338-477 |
0.66 |
CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
|
|
| MolPort-023-298-994 |
0.66 |
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
|
|
| MolPort-035-706-299 |
0.66 |
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
|
|
| MolPort-002-525-628 |
0.66 |
CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
|
|
| MolPort-006-112-202 |
0.66 |
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
|
|
| MolPort-046-693-184 |
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)=O
|
|
| MolPort-006-394-318 |
0.66 |
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
|
|
| MolPort-002-510-136 |
0.66 |
CC(=O)C1=C(N)C[C@@H]2[C@H]1C2(C)C
|
|
| MolPort-002-510-183 |
0.66 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
|
|
| MolPort-046-596-344 |
0.66 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
|
|
| MolPort-044-649-693 |
0.66 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-046-689-970 |
0.66 |
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
|
|
| MolPort-046-683-739 |
0.66 |
[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]
|
|
| MolPort-002-510-704 |
0.66 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
|
|
| MolPort-021-804-809 |
0.66 |
CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
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|
| MolPort-019-937-542 |
0.66 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
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|
| MolPort-002-526-056 |
0.66 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
|
|
| MolPort-046-690-063 |
0.66 |
[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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| MolPort-044-561-334 |
0.66 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
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| MolPort-002-894-037 |
0.66 |
CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
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| MolPort-003-664-396 |
0.66 |
CC1=C(O)C(=O)CC(C)(C)C1
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| MolPort-002-915-849 |
0.66 |
O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
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|
| MolPort-035-706-339 |
0.66 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
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0.66 |
C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
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| MolPort-002-510-763 |
0.66 |
CC(=O)C1C(=O)C=C(C)C1=O
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|
| MolPort-000-716-292 |
0.66 |
CC1CC(C)=CCC1\C=C\C(C)=O
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| MolPort-000-787-941 |
0.66 |
CC1CC(C)=CC(C)C1\C=C\C(C)=O
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| MolPort-035-706-243 |
0.66 |
CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
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| MolPort-001-794-307 |
0.66 |
CC1=C(CC=O)C(C)(C)CCC1
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|
| MolPort-001-790-179 |
0.66 |
CC1=CCCC(C)(C)C1C=O
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| MolPort-002-507-398 |
0.66 |
CCC(=O)C1CC(CC=C1C)C(C)C
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|
| MolPort-027-845-391 |
0.66 |
CC1CCC=C(C)C1C=O
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|
| MolPort-020-005-764 |
0.66 |
C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C
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| MolPort-003-928-807 |
0.66 |
CCCCC\C=C\C(C)=O
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| MolPort-046-594-349 |
0.66 |
CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C
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| MolPort-008-545-466 |
0.66 |
O=CC1=CCCC1
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| MolPort-009-015-247 |
0.65 |
CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
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|
| MolPort-046-697-317 |
0.65 |
CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
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|
| MolPort-001-995-568 |
0.65 |
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
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|
| MolPort-002-130-411 |
0.65 |
CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
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|
| MolPort-001-011-949 |
0.65 |
CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-044-649-708 |
0.65 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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| MolPort-035-705-880 |
0.65 |
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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0.65 |
CC12CCCC(C)(C)C1CC=C2C(O)=O
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|
| MolPort-002-915-854 |
0.65 |
CC1=CC(=O)C(CCCC2=CC(=O)C=CC2=O)=CC1=O
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|
| MCULE-1643283288 |
0.65 |
C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
|
|
| MCULE-4576776987 |
0.65 |
C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
|
|
| MCULE-7420090326 |
0.65 |
C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-7903507006 |
0.65 |
C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-6934036262 |
0.65 |
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-8322667113 |
0.65 |
C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-3077397941 |
0.65 |
C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-2082866202 |
0.65 |
NC1CC(C(CC2CC2)=O)=CC1
|
|
| MCULE-7594935296 |
0.65 |
ClC1CCC2(CC2)CC=1C=O
|
|
| MCULE-4406036090 |
0.65 |
O=C1CCC2C(=C1)C=CC1(C)C2CC=CC1
|
|
| MCULE-3571516627 |
0.65 |
NC1CC(C(C2CCCCC2)=O)=CC1
|
|
| MCULE-1469704545 |
0.65 |
CC1CC(C(C2CC(N)CC=2)=O)CCC1
|
|
| MCULE-2582951504 |
0.65 |
C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
|
|
| MCULE-6548574191 |
0.65 |
OC(C=C1C(=O)CCC2(CC2)C1)=O
|
|
| MCULE-9625917775 |
0.65 |
C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-1518212379 |
0.65 |
NC1CC(C(C2CCCCCCC=2)=O)C1
|
|
| MCULE-6918609415 |
0.65 |
C1(C(C)(C)CCCC=1C)CC=C(C)C=O
|
|
| MCULE-7072600101 |
0.65 |
C1(C(C)=CCCC1(C)C)C=C(C)C(=O)C
|
|
| MCULE-9956317855 |
0.65 |
C1(=O)CC2CC1C=C2
|
|
| MCULE-2031804178 |
0.65 |
C1(CCC(C)=O)=C(C)CCC1C(C)=C
|
|
| MCULE-1122672664 |
0.65 |
CC(C=C1C2(CCCC2)CC1)=O
|
|
| MCULE-5711787395 |
0.65 |
Br[C@H]1C2[C@](C)(CCC(=O)C=2)[C@@H]2[C@H]([C@H]3[C@@](CC2)(C)C(=O)CC3)C1
|
|
| MCULE-8646276663 |
0.65 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-8953627920 |
0.65 |
[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]
|
|
| MCULE-7375016319 |
0.65 |
[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
|
|
| MCULE-9916460202 |
0.65 |
[C@]12([H])C[C@@]3(C)CC[C@H]([C@@H](C)/C=C\C=C(\C)/C)[C@]3([H])CC=C(C=O)[C@]1([H])C(C=C2C)=O
|
|
| MCULE-1397397840 |
0.65 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
|
|
| MCULE-9248944569 |
0.65 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
|
|
| MCULE-4849477341 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-8463642691 |
0.65 |
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
|
|
| MCULE-3392411245 |
0.65 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-9921246997 |
0.65 |
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-2022303549 |
0.65 |
C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-1752805340 |
0.65 |
C1=C2[C@H](Br)C[C@]3([C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CCC1=O)[H]
|
|
| MCULE-2791131855 |
0.65 |
[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]
|
|
| MCULE-8494008475 |
0.65 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-6501593178 |
0.65 |
C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
|
|
| MCULE-3272252898 |
0.65 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
|
|
| MCULE-6325385060 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MCULE-5186769141 |
0.65 |
C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-2445362476 |
0.65 |
C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
|
|
| MCULE-4768757628 |
0.65 |
CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1
|
|
| MCULE-5480996294 |
0.65 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-7899567818 |
0.65 |
C12C(=O)CC(CC=1CC1(CC2(Cl)CC(C1)(C)C)C)(C)C
|
|
| MCULE-4822409054 |
0.65 |
C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MolPort-000-830-001 |
0.65 |
C\C(C=O)=C/CC1=C(C)CCCC1(C)C
|
|
| MolPort-002-508-961 |
0.65 |
CC(=O)CCC1=C(C)CCC1C(C)=C
|
|
| MolPort-002-511-910 |
0.65 |
C\C(C=O)=C\CC1=C(C)CCCC1(C)C
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[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
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0.63 |
[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
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0.63 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#C
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0.63 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N
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0.63 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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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@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#C
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CC12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]2(O)C#C
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COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
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COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
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COC(=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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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)CC#N
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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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C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#N
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COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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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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CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@]2(O)C#C
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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
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COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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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)C1CC3O
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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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CC1(C)CCC[C@@]2(C)C1CC(=O)C(CBr)=C2CBr
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CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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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
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CC12CCC3C(CCC4=CC(=O)CCC34)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(CO)C[C@H](O)[C@H]21
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CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
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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
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(O)C#C
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CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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[2H]C1=C2C([2H])([2H])CC3C4CC[C@@](O)(C#C)C4(C)CCC3C2([2H])CC([2H])([2H])C1=O
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[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
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COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
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CC(=C)[C@@H]1CCC(C)(C)C2=CC(=O)CC[C@@]12C#N
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CC(=O)CC1=CCCCC1
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CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
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CC1(CC2CC1C=C2)C(N)=O
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NC(=O)C1CC2CC1C=C2
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CC1=C(C(O)=O)C(C)(C)CCC1
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CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
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C[C@H](CC\C=C(/CO)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
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CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
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CC(C)(C)C1CCC(=CC1)C(O)=O
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CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O
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CC(C(C1C2C(C2)CCC1)=O)=C
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| MCULE-6238507819 |
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C1(/CCCCCCCCCCC/1)=C/C=O
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| MCULE-2062449314 |
0.63 |
C(C(CC(C)C)=O)=CC(C)C
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0.63 |
C12C(C(CC=C)CCC1C2)=O
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0.63 |
C=CC(C1C2C(C2)CCC1)=O
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| MCULE-6001167281 |
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C=CC(C12CCCCC1C2)=O
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| MCULE-9044416585 |
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CC(C(C12CCCCC1C2)=O)=C
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| MCULE-3839963678 |
0.63 |
C(C)(CC(C)CC/C=C(\C)/C)=O
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| MCULE-8332698653 |
0.63 |
CC(C(C1CC2C(C2)CC1)=O)=C
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| MCULE-9648893158 |
0.63 |
C=CC(CC1CC2C(C2)CC1)=O
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| MCULE-7147126046 |
0.63 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
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0.63 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
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| MCULE-7286438796 |
0.63 |
CC1(C(=O)C(=CC(O)=O)CCC1)C
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| MCULE-8966822686 |
0.63 |
OC(C=CC(C1C2CCC(CC2)C1)=O)=O
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| MCULE-7315284280 |
0.63 |
CC(C(CC1C2C=CC(CC2)C1)=O)(F)F
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| MCULE-2345630920 |
0.63 |
CC(C(CC1C2C=CC(CC2)C1)=O)(F)C
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| MCULE-9341616847 |
0.63 |
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
|
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| MCULE-3664047551 |
0.63 |
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
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| MCULE-4656356934 |
0.63 |
FC(C(CC1C2C=CC(CC2)C1)=O)F
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| MCULE-1410261429 |
0.63 |
CC(C1CC(=CC(O)=O)C(=O)CC1)(C)C
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|
| MCULE-2554095482 |
0.63 |
FC(C(CC1C2C=CC(CC2)C1)=O)(F)F
|
|
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0.63 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
|
| MCULE-5025931577 |
0.63 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
|
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| MCULE-8993774901 |
0.63 |
CCCC1CC(=CC(O)=O)C(=O)CC1
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|
| MCULE-1109890298 |
0.63 |
CCC1CC(=CC(O)=O)C(=O)CC1
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|
| MCULE-5113003290 |
0.63 |
OC(C1CC2CC(CC=C2)C1)=O
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| MCULE-3226283664 |
0.63 |
CC1CC(=O)C(=CC(O)=O)C(C)C1
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|
| MCULE-1144217583 |
0.63 |
C1(C=O)CCC(CCCC(O)(C)C)=CC1
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|
| MCULE-4434409577 |
0.63 |
CC(C1CC(=CC(O)=O)C(=O)CC1)C
|
|
| MCULE-9838503328 |
0.63 |
OC(C=C1C(=O)CCCCC1)=O
|
|
| MCULE-2820125963 |
0.63 |
CC1CC(=CC(O)=O)C(=O)CC1
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|
| MCULE-3617164163 |
0.63 |
CC1(CC(=CC(O)=O)C(=O)CC1)C
|
|
| MCULE-6709791224 |
0.63 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-8543584572 |
0.63 |
C1(=O)C2CC=CC1CC2
|
|
| MCULE-2324385738 |
0.63 |
C12(C)C(=O)CC(C)(C)C1C=C2
|
|
| MCULE-2259130970 |
0.63 |
C1(C(C)(C)C)=CC2(CC2)C=C(C(C)(C)C)C1=O
|
|
| MCULE-5475119384 |
0.63 |
O=C1C=C2[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@](CC2)(O)C#C)(C)CC3)[H])(C)CC1
|
|
| MCULE-9068467553 |
0.63 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
|
|
| MCULE-1283162506 |
0.63 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-2776644728 |
0.63 |
C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C[C@@H](C#C)C2O
|
|
| MCULE-5587193921 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-2846082692 |
0.63 |
C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
|
|
| MCULE-6711156232 |
0.63 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-9405848361 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2(O)C#C
|
|
| MCULE-5380264709 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
|
|
| MCULE-7552770733 |
0.63 |
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-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
|
|
| MCULE-5828095144 |
0.63 |
[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-6301437684 |
0.63 |
O=C1CCC2(C3CCC4(CC)C(O)(CCC4C3CCC2=C1)C#C)[H]
|
|
| MCULE-4216254522 |
0.63 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#C)C)=O
|
|
| MCULE-2444850987 |
0.63 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#N)C)=O
|
|
| MCULE-6242790082 |
0.63 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
|
|
| MCULE-3410664208 |
0.63 |
[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-1847616833 |
0.63 |
C1(CBr)=C(CBr)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-1779059042 |
0.63 |
[C@]12(CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(C=C1CC4)=O)CS2
|
|
| MCULE-2208148247 |
0.63 |
[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-5532388657 |
0.63 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-9156628994 |
0.63 |
[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-6473008384 |
0.63 |
[C@@]12(C#N)CCC(=O)C=C1C(C)(C)CC[C@H]2C(=C)C
|
|
| MCULE-7140541559 |
0.63 |
C1(CBr)=C(CBr)C(=O)CC2C(CCCC12C)(C)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-6251052191 |
0.63 |
C12(C)CCC3C(CCC4=C(C(=O)CCC43)C)C1CC(C#C)C2O
|
|
| MCULE-2690578106 |
0.63 |
[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-9892383905 |
0.63 |
[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-2255462467 |
0.63 |
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-9685581403 |
0.63 |
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-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-4509039878 |
0.63 |
CC12C(CC#N)(O)CCC1C1CCC3C(C)(C1CC2)CCC(=O)C=3
|
|
| MCULE-7795288814 |
0.63 |
C1CC(C(C)=O)(C)C=CC1
|
|
| MCULE-6026959980 |
0.63 |
C12CC1C(=O)C(/C=C(\C)/C)C2
|
|
| MCULE-8116500557 |
0.63 |
C1(C=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-3685662720 |
0.63 |
O=C(C1C(C)(C)CCCC=1C)Cl
|
|
| MCULE-2101450593 |
0.63 |
NC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-9163080208 |
0.63 |
C1(C)(CC2CC1C=C2)C(N)=O
|
|
| MCULE-2797527002 |
0.63 |
C1(C(=O)O)=CCC(CCCCCC)CC1
|
|
| MCULE-7258934827 |
0.63 |
C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
|
|
| MCULE-5230788025 |
0.63 |
C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
|
|
| MCULE-7823688397 |
0.63 |
NC1CC(C(C2CC2)=O)=CC1
|
|
| MCULE-9150714373 |
0.63 |
C1(C(C)(C)CCCC=1C)C(O)=O
|
|
| MCULE-3750924928 |
0.63 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
|
|
| MCULE-9857200349 |
0.63 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O
|
|
| MCULE-1732045588 |
0.63 |
FC(C1(C(C2CCCCCC=2)=O)CC1)F
|
|
| MCULE-5496838191 |
0.63 |
C1C(CCC=1C)=O
|
|
| MCULE-4319644651 |
0.63 |
CC(C(CC1CC2C(C2)CC1)=O)=C
|
|
| MolPort-022-878-920 |
0.63 |
O=CC=C1CCCCC1
|
|
| MolPort-001-792-108 |
0.63 |
CCCCCC\C=C\C=O
|
|
| MolPort-003-960-116 |
0.63 |
CCCCCCCC\C=C\C=O
|
|
| MolPort-001-793-640 |
0.63 |
CC1=CC(=O)CC1
|
|
| MolPort-003-929-714 |
0.63 |
CCCCCCC\C=C\C=O
|
|
| MolPort-002-507-004 |
0.63 |
CC(C)CC(=O)\C=C\C(C)C
|
|
| MolPort-002-534-267 |
0.63 |
O=CC=C1CCCCCCCCCCC1
|
|
| MolPort-006-394-264 |
0.63 |
CCCCCCCCCCCCC\C=C\C=O
|
|
| MolPort-006-114-412 |
0.63 |
CCCCCCC=CC=O
|
|
| MolPort-046-141-505 |
0.63 |
OC(=O)C1CC2CC=CC(C2)C1
|
|
| MolPort-028-754-126 |
0.63 |
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
|
|
| MolPort-035-706-537 |
0.63 |
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
|
|
| MolPort-016-633-342 |
0.63 |
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
|
|
| MolPort-016-633-333 |
0.63 |
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-038-941-702 |
0.63 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
|
|
| MolPort-039-338-325 |
0.63 |
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
|
|
| MolPort-006-126-388 |
0.63 |
CC(C)(O)CCCC1=CCC(CC1)C=O
|
|
| MolPort-046-594-431 |
0.63 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
|
|
| MolPort-039-338-737 |
0.63 |
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
|
|
| MolPort-046-153-146 |
0.63 |
CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-004-288-323 |
0.63 |
CC(=O)C=CC1C(C)=CCCC1(C)C
|
|
| MolPort-028-610-172 |
0.63 |
CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
|
|
| MolPort-004-288-333 |
0.63 |
O=C1CC2CC=CC12
|
|
| MolPort-000-719-686 |
0.63 |
CC(=O)\C=C\C1C(C)=CCCC1(C)C
|
|
| MolPort-035-706-266 |
0.63 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-267 |
0.63 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-019-937-543 |
0.63 |
CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
|
|
| 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-002-799-483 |
0.62 |
CC(=O)CC[C@]1(C#N)[C@H](CC=C(C)C1=O)C(C)=C
|
|
| 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-046-158-402 |
0.62 |
CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
|
|
| 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-039-338-124 |
0.62 |
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)C1CC3
|
|
| MolPort-019-936-820 |
0.62 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
|
|
| MolPort-000-733-209 |
0.62 |
CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-002-525-832 |
0.62 |
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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|
| 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
|
|
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0.62 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
|
|
| MCULE-9381861258 |
0.62 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-3422795055 |
0.62 |
C1C2CCC(=O)CC=C2C1
|
|
| MCULE-8312923448 |
0.62 |
C12CCCC(=O)C=1CC(C(=O)O)CC2
|
|
| MCULE-2977583689 |
0.62 |
CC[C@H](C(C1CCCCC=1)=O)N
|
|
| MCULE-5250500079 |
0.62 |
CC(C(F)(F)C)(C(C1CCCC=1)=O)C
|
|
| MCULE-9846709180 |
0.62 |
CC(C(C1CCCCC=1)=O)(C(F)F)C
|
|
| MCULE-4995882158 |
0.62 |
CC([C@H](C(C1CCCCCCC=1)=O)N)C
|
|
| MCULE-9476520710 |
0.62 |
C[C@H](C(C1CCCCCCC=1)=O)N
|
|
| MCULE-1556326496 |
0.62 |
C[C@@H](C(C1CCCCC=1)=O)N
|
|
| MCULE-1678342746 |
0.62 |
CC([C@@H](C(C1CCCCC=1)=O)N)C
|
|
| MCULE-3642294980 |
0.62 |
CC([C@H](C(C1CCCCC=1)=O)N)(C)C
|
|
| MCULE-3475190281 |
0.62 |
BrCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-6460864523 |
0.62 |
ClCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-7671247991 |
0.62 |
C[C@@H](C(C1CCCCCCC=1)=O)N
|
|
| MCULE-3941444428 |
0.62 |
CC[C@H](C(C1CCCCCCC=1)=O)N
|
|
| MCULE-6838469363 |
0.62 |
CC([C@@H](C(C1CCCCCCC=1)=O)N)C
|
|
| MCULE-3311655044 |
0.62 |
CC[C@@H](C(C1CCCCCCC=1)=O)N
|
|
| MCULE-4161096186 |
0.62 |
BrCC(C1C2C=CC(CC2)C1)=O
|
|
| MCULE-3848807114 |
0.62 |
CC[C@@H](C(C1CCCCC=1)=O)N
|
|
| MCULE-9412498437 |
0.62 |
CC(C(F)(F)F)(C(C1CCCCC=1)=O)C
|
|
| MCULE-9217994518 |
0.62 |
C[C@H](C(C1CCCCC=1)=O)N
|
|
| MCULE-8431742814 |
0.62 |
O=C1C(C)CC(C)C(O)=C1
|
|
| MCULE-1835477011 |
0.62 |
CC([C@H](C(C1CCCCC=1)=O)N)C
|
|
| MCULE-4024696034 |
0.62 |
CC([C@@H](C(C1CCCCC=1)=O)N)(C)C
|
|
| MCULE-1997655266 |
0.62 |
CC(C(F)(F)C)(C(C1CCCCC=1)=O)C
|
|
| 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-2366326470 |
0.62 |
C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
|
|
| MCULE-6355846723 |
0.62 |
C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
|
|
| MCULE-1531956184 |
0.62 |
C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-3727435032 |
0.62 |
C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-4351701102 |
0.62 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=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-5877894053 |
0.62 |
C(C)(C)(CC)C1C(C=C(C(C=1)=O)C(CC)(C)C)=O
|
|
| MCULE-6987941164 |
0.62 |
C1(C(C)(C)C)=CC2(CCCC2)C=C(C(C)(C)C)C1=O
|
|
| MCULE-3257672801 |
0.62 |
CC(C(CC1CC=CCC1)=O)N
|
|
| MCULE-8907556285 |
0.62 |
CC(C(CC1CC=CCC1)=O)(N)C
|
|
| MCULE-6438933973 |
0.62 |
CC(C(CC1CC=CCC1)=O)(O)C
|
|
| MCULE-5335097568 |
0.62 |
C(O)(=O)C=CCCCCCC(C)=O
|
|
| MCULE-6641232569 |
0.62 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-9038165616 |
0.62 |
CC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-3659973428 |
0.62 |
C1C2CC(C(=O)C2=O)C=1
|
|
| MCULE-7417377682 |
0.62 |
OC(C1(CC1)CC1CC=CCC1)=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-4148069591 |
0.62 |
ClC1CCC(C2CCC2)CC=1C=O
|
|
| MCULE-2806895467 |
0.62 |
NC1CC(C(C2CCC2)=O)=CC1
|
|
| MCULE-4279655767 |
0.62 |
NC1CC(C(C2CCCC2)=O)=CC1
|
|
| MCULE-4499774526 |
0.62 |
NC1CC(C(CC2CCC2)=O)=CC1
|
|
| MCULE-8982144798 |
0.62 |
C1(=C(/CCC)\N)\C(=O)CC(CC\1=O)(C)C
|
|
| MCULE-2166503042 |
0.62 |
CC1(CCC1)CC(C1CC(N)CC=1)=O
|
|
| MCULE-5031139336 |
0.62 |
C12(C3C=CC1C(C3)C(O)=O)CC2
|
|
| MCULE-9549317752 |
0.62 |
C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-4264236437 |
0.62 |
NC1CC(C(CC2CCCC2)=O)=CC1
|
|
| MCULE-7665108899 |
0.62 |
BrC1C2C3CC4C2C(=O)CC4C3C=1
|
|
| MCULE-3985606919 |
0.62 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-1551509118 |
0.62 |
O=C1C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C1(C)C)=O)=O)=O)=O)=O)=O)=O
|
|
| MCULE-8107340389 |
0.62 |
C12CC(=O)C(C)=C1CC(C(C(=O)O)=C)C(O)CC2C
|
|
| MCULE-9033140847 |
0.62 |
[C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-6264302119 |
0.62 |
C1(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=CC(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=C1)=O)=O
|
|
| MCULE-5208181398 |
0.62 |
C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
|
|
| MCULE-5288068491 |
0.62 |
C1(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=C1
|
|
| MCULE-6144873686 |
0.62 |
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
|
|
| MolPort-002-549-449 |
0.62 |
CC(C)(C)C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C
|
|
| MolPort-001-762-154 |
0.62 |
CC(=O)CCCCC\C=C\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-039-338-287 |
0.62 |
C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-003-891-724 |
0.62 |
CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC
|
|
| MolPort-039-338-206 |
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@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-002-549-690 |
0.62 |
[Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
|
|
| MolPort-002-137-082 |
0.62 |
CCCC(N)=C1C(=O)CC(C)(C)CC1=O
|
|
| MolPort-046-647-049 |
0.62 |
OC(=O)C1=C[C@@H]2CCCC[C@H]12
|
|
| MolPort-002-017-775 |
0.62 |
OC(=O)C1CC2C=CC1C21CC1
|
|
| MolPort-046-677-788 |
0.62 |
OC(=O)C1=CC2CCCCCC12
|
|
| MolPort-002-915-386 |
0.62 |
BrC1=CC2C3CC(=O)C4C3CC2C14
|
|
| MolPort-005-944-580 |
0.62 |
CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
|
|
| MolPort-046-153-808 |
0.62 |
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-021-804-571 |
0.62 |
CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
|
|
| MolPort-028-610-018 |
0.62 |
CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
|
|
| MolPort-002-513-811 |
0.62 |
COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
|
|
| MolPort-044-649-594 |
0.62 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-510-943 |
0.62 |
C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
|
|
| 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-016-630-900 |
0.61 |
OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
| 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-044-637-536 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)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-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-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-044-727-594 |
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
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| MolPort-035-706-428 |
0.61 |
C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
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| 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
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| MolPort-044-637-537 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
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| MolPort-029-215-812 |
0.61 |
OC(=O)CC1CC2CC1C=C2
|
|
| MolPort-006-668-579 |
0.61 |
CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
|
|
| MolPort-006-668-441 |
0.61 |
CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
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|
| MolPort-035-771-241 |
0.61 |
NC1=CC(=O)CC2(CCC2)C1
|
|
| MolPort-023-298-990 |
0.61 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-001-740-910 |
0.61 |
CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
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|
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0.61 |
CC(=C)CCCC(C)=CC=O
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|
| MolPort-046-672-833 |
0.61 |
CCC(=O)C(C)C\C(C)=C\C
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|
| MolPort-002-507-367 |
0.61 |
CC(=C)CCC\C(C)=C/C=O
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0.61 |
C1C2C1C1C3C(C=CC33CC3)C2C11CC1
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|
| MolPort-001-769-700 |
0.61 |
CCCCC\C=C\CCC=O
|
|
| MCULE-9116290084 |
0.61 |
OC(C=C1C(=O)C2(CCCC2)CC1)=O
|
|
| MCULE-6158471262 |
0.61 |
OC(C=C1C(=O)CCC2(CCCC2)C1)=O
|
|
| MCULE-2261620363 |
0.61 |
OC(C=CC(C1C2CC(CC2)C1)=O)=O
|
|
| MCULE-9024921933 |
0.61 |
OC(C(CC1C2C=CC(CC2)C1)=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-1494936871 |
0.61 |
OC(C=C1C(=O)CCC(C2CCC2)C1)=O
|
|
| MCULE-1763238130 |
0.61 |
OC(C=C1C(=O)C2(CCCC2)CCC1)=O
|
|
| 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-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-2911613762 |
0.61 |
[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
|
|
| MCULE-9746235107 |
0.61 |
NC(C(N)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-4179453466 |
0.61 |
CC1(C(CC2CC=CCC2)=O)C(F)C1
|
|
| MCULE-8793586472 |
0.61 |
NC1=CC(CC2(CCC2)C1)=O
|
|
| MCULE-2036056204 |
0.61 |
C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
|
|
| MCULE-1245933135 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CCC4=C3C=CC2=CC1=O
|
|
| MCULE-3860629045 |
0.61 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-9060371972 |
0.61 |
C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
|
|
| MCULE-6319129849 |
0.61 |
C1(Br)=C(Br)C2C(C)(C)C(C)(CC2)C1=O
|
|
| MCULE-7321817046 |
0.61 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-4114109251 |
0.61 |
C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
|
|
| MCULE-1810658219 |
0.61 |
C/C(/C)=C/CCC1(CC(=O)CC1)C
|
|
| MCULE-2589305143 |
0.61 |
CC1C(=O)CCC1CC/C=C(\C)/C
|
|
| MCULE-5933168234 |
0.61 |
C12(CC1)C1C3C(C4(C=C3)CC4)C2C2CC12
|
|
| MCULE-2776959552 |
0.61 |
C1(=O)C(C)CC=C1C
|
|
| MCULE-3036443253 |
0.61 |
O=C1C(C)=C(C)C(CCC2(C)C(C)=C(C)C(C(C)=C2C)=O)(C)C(C)=C1C
|
|
| MCULE-6528363411 |
0.61 |
CC/C(/N)=C1\C(=O)CC(C)(C)CC\1=O
|
|
| MCULE-1186740518 |
0.61 |
C[C@H](C(C1CCCCCC=1)=O)N
|
|
| MCULE-7400247321 |
0.61 |
C12C=CC(C)C1C2C(O)=O
|
|
| MCULE-6926890410 |
0.61 |
CC([C@@H](C(C1CCCCCC=1)=O)N)C
|
|
| MCULE-2648394624 |
0.61 |
CCC(C(C1CCCCCCC=1)=O)(F)F
|
|
| MCULE-3959902732 |
0.61 |
OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-7154205571 |
0.61 |
CC(C(C1CCCCCC=1)=O)(C(F)F)C
|
|
| MCULE-9853941800 |
0.61 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
|
|
| MCULE-8879177648 |
0.61 |
OC(C1(CC=CCC1)CC1CC=CC1)=O
|
|
| MCULE-3637925262 |
0.61 |
CCC(C(C1CCCC=1)=O)(F)F
|
|
| MCULE-5135624279 |
0.61 |
CCC(C(C1CCCCC=1)=O)(F)F
|
|
| MCULE-7480366413 |
0.61 |
CC([C@@H](C(C1CCCCCC=1)=O)N)(C)C
|
|
| MCULE-4557432839 |
0.61 |
C[C@@H](C(C1CCCCCC=1)=O)N
|
|
| MCULE-5624348400 |
0.61 |
C1(C(=O)O)CC2C=CC1CC2
|
|
| MCULE-9993922797 |
0.61 |
CC([C@H](C(C1CCCCCC=1)=O)N)(C)C
|
|
| MCULE-7057445911 |
0.61 |
C12C(C=CC1)C2C(O)=O
|
|
| MCULE-8346653877 |
0.61 |
CC1CC(C)(C)CCC=1C(=O)O
|
|
| MCULE-3161766037 |
0.61 |
C(O)(C1=CCCCCCCCCC1)=O
|
|
| MCULE-3800645142 |
0.61 |
CCC(C(C1CC(N)CC=1)=O)C
|
|
| MCULE-8193597137 |
0.61 |
N[C@H]1[C@@H](C(C2CCCCCC=2)=O)CCC1
|
|
| MCULE-7400436566 |
0.61 |
CC[C@H](C(C1CCCCCC=1)=O)N
|
|
| MCULE-4335831288 |
0.61 |
C1(Cl)=C(C=O)CCC(C)(C)C1
|
|
| MCULE-4161890399 |
0.61 |
CC[C@@H](C(C1CCCCCC=1)=O)N
|
|
| MCULE-5078128458 |
0.61 |
CC([C@H](C(C1CCCCCC=1)=O)N)C
|
|
| 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-3252719863 |
0.61 |
C1(C#N)(C#N)C2(CCCCC2)C2CCCCC2=C(C#N)C1=O
|
|
| MCULE-7865324905 |
0.61 |
C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
|
|
| 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-2176684677 |
0.61 |
O=C1CCC2(C)C(=C1)CC=C1C3CCC(C(C)C(Br)C(Br)C(C)C(C)C)C3(C)CCC21
|
|
| MCULE-7277661521 |
0.61 |
C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
|
|
| MCULE-4937005028 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
|
|
| MCULE-1916767135 |
0.61 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-1323295889 |
0.61 |
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
|
|
| MolPort-046-594-326 |
0.61 |
CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
|
|
| MolPort-039-323-730 |
0.61 |
CC1(C)CCC(C=O)=C(Cl)C1
|
|
| 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-035-706-224 |
0.61 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
|
|
| MolPort-039-239-507 |
0.61 |
CC1(C)CCC(=CC1)C(O)=O
|
|
| MolPort-042-680-921 |
0.61 |
Cl\C1=C(\CCCCCC1)C=O
|
|
| MolPort-019-904-832 |
0.61 |
CC1CCC(=CC1)C(O)=O
|
|
| MolPort-039-060-935 |
0.61 |
CC1=C(CCC(C)(C)C1)C(O)=O
|
|
| MolPort-002-893-729 |
0.61 |
OC(=O)C1CC2CCC1C=C2
|
|
| MolPort-035-706-307 |
0.61 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@](C)(CC(O)=O)[C@@H](CC3)C(C)(C)C=O
|
|
| MolPort-039-242-365 |
0.61 |
OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
|
|
| MolPort-004-801-991 |
0.61 |
CC1(C)CCC=C(C1)C(O)=O
|
|
| MolPort-004-414-458 |
0.61 |
CCC(N)=C1C(=O)CC(C)(C)CC1=O
|
|
| 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-023-274-403 |
0.61 |
CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C
|
|
| MolPort-039-338-333 |
0.61 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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|
| MolPort-001-740-674 |
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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
|
|
| MolPort-002-527-896 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
|
|
| MolPort-046-765-406 |
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)C(O)=O
|
|
| MolPort-038-386-562 |
0.61 |
CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
|
|
| 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-039-338-148 |
0.61 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-515-580 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
|
|
| 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-046-765-744 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(O)C(O)=O
|
|
| MolPort-022-364-567 |
0.61 |
O=CC1CCCC=C1
|
|
| MolPort-003-003-246 |
0.60 |
CCCCCC(=O)\C=C\C(O)=O
|
|
| MolPort-039-338-445 |
0.60 |
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
|
|
| MolPort-035-706-317 |
0.60 |
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
|
|
| MolPort-046-701-687 |
0.60 |
CC(=O)C(O)C1(C)CCC2C3CCC4=CC(=O)CCC4=C3CCC12C
|
|
| MolPort-039-338-305 |
0.60 |
C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
|
|
| MolPort-003-811-448 |
0.60 |
OC1=CC(=O)C2C3CC(C=C3)C12
|
|
| MolPort-002-510-832 |
0.60 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3C1CC[C@@H]2O
|
|
| MolPort-006-701-571 |
0.60 |
C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
|
|
| MolPort-042-694-347 |
0.60 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
|
|
| MolPort-001-900-947 |
0.60 |
CCCCC(N)=C1C(=O)CC(C)(C)CC1=O
|
|
| MolPort-028-599-742 |
0.60 |
O[C@H]1CC[C@@H]2C1CCC1=C3CCC(=O)C=C3CC[C@@H]21
|
|
| MolPort-039-338-122 |
0.60 |
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
|
|
| MolPort-046-763-170 |
0.60 |
CCCCCC(=O)\C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-028-950-611 |
0.60 |
FC(F)(F)C1CCC(=O)C=C1
|
|
| MolPort-002-507-433 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-008-430-076 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
|
|
| MolPort-039-052-704 |
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
|
|
| 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-006-394-736 |
0.60 |
CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-001-741-050 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
|
|
| MolPort-002-525-147 |
0.60 |
C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
|
|
| MolPort-039-138-853 |
0.60 |
CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
|
|
| MolPort-004-955-261 |
0.60 |
CC1(C)CC[C@@]2(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]2C1)C(O)=O
|
|
| MolPort-039-239-671 |
0.60 |
CC(CCC=C(C)C)C(C)C=O
|
|
| MolPort-004-802-886 |
0.60 |
CC1CCC(O)=CC1=O
|
|
| MolPort-002-534-996 |
0.60 |
C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
|
|
| MolPort-003-983-927 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-003-960-114 |
0.60 |
CCCC\C=C\C(C)=O
|
|
| MolPort-003-939-637 |
0.60 |
C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
|
|
| MolPort-003-930-388 |
0.60 |
CC1(C)CC(=O)C=C1
|
|
| MolPort-001-740-468 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
|
|
| MolPort-000-729-105 |
0.60 |
CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
|
| MolPort-002-507-280 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
|
|
| MolPort-020-005-912 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-039-338-301 |
0.60 |
CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO
|
|
| MolPort-001-792-107 |
0.60 |
CCCCC\C=C\C=O
|
|
| MolPort-001-792-412 |
0.60 |
C[C@@H](CCC=C(C)C)CC=O
|
|
| MolPort-035-784-288 |
0.60 |
O.CC1(C)CC[C@@]2(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]2C1)C(O)=O
|
|
| MolPort-039-338-320 |
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
|
|
| MolPort-001-793-058 |
0.60 |
C[C@H](CCC=C(C)C)CC=O
|
|
| MolPort-001-787-552 |
0.60 |
CC(CCC=C(C)C)CC=O
|
|
| MolPort-039-338-864 |
0.60 |
C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
|
|
| MolPort-039-338-968 |
0.60 |
CC1(C)CC[C@@]2(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]2C1)C(O)=O
|
|
| MolPort-021-804-631 |
0.60 |
CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
|
|
| MolPort-027-835-590 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[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-027-834-998 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-001-736-568 |
0.60 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
|
| 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
|
|
| MolPort-001-970-998 |
0.60 |
OC(=O)C1C2C=CC(C3CC23)C1C(O)=O
|
|
| MolPort-035-705-668 |
0.60 |
C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)C=CC(=O)C4(C)C)N(C)C
|
|
| MolPort-044-193-919 |
0.60 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
|
|
| MolPort-001-740-913 |
0.60 |
C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
|
| MCULE-1046459546 |
0.60 |
FC(C(CC1CC=CCC1)=O)F
|
|
| MCULE-7087851316 |
0.60 |
CC(C(C1C(C)(C)C1)=O)=CC(O)=O
|
|
| MCULE-5554933328 |
0.60 |
CC(C(CC1CC=CCC1)=O)(F)C
|
|
| MCULE-2240327687 |
0.60 |
CC1C(C(C(C)=CC(O)=O)=O)C1
|
|
| MCULE-7503158705 |
0.60 |
C1=CC2C=CC3C(C(C)(C(C)=O)C)=CC1C23
|
|
| MCULE-2735934269 |
0.60 |
OC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-1540616337 |
0.60 |
O=C1CCC2C1(C)CCC1C2CC=C2C=CCCC21C
|
|
| MCULE-6393727075 |
0.60 |
C12C[C@@H](CC[C@@]1(C)C=CC(=O)C=2C)C(C)=C
|
|
| MCULE-9207192092 |
0.60 |
NC1C(C(CC2CC=CCC2)=O)CCC1
|
|
| MCULE-6891127079 |
0.60 |
FC(C(CC1CC=CCC1)=O)(F)F
|
|
| MCULE-4801038069 |
0.60 |
NC1CC(C(CC2CC=CCC2)=O)C1
|
|
| MCULE-8264831774 |
0.60 |
NC1(C(CC2CC=CCC2)=O)CCC1
|
|
| MCULE-7333041840 |
0.60 |
CC(C(CC1CC=CCC1)=O)(F)F
|
|
| MCULE-9692362001 |
0.60 |
C/C(/C)=C/C(C1CC2C(F)(F)C2C1)=O
|
|
| MCULE-7590185927 |
0.60 |
C123C(=C)CCC1(CCC2=O)CC=C3C
|
|
| MCULE-7280705047 |
0.60 |
C(CC)(C=CC1C(C)(C)CCCC=1C)=O
|
|
| MCULE-9134588789 |
0.60 |
NC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-7888329175 |
0.60 |
C1(C(CCC)=O)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-9029872817 |
0.60 |
C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
|
|
| MCULE-1623468852 |
0.60 |
ClC1CC2CC(CC2)C=1C=O
|
|
| MCULE-9809355766 |
0.60 |
C1(=C(/CCCC)\N)\C(=O)CC(CC\1=O)(C)C
|
|
| MCULE-6346527900 |
0.60 |
C1(O)C2C3CC(C=C3)C2C(=O)C=1
|
|
| MCULE-1348157475 |
0.60 |
C12CCC3[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CCC=21)O
|
|
| MCULE-7708235386 |
0.60 |
OC(C1(CC=CC1)CC1CC=CCC1)=O
|
|
| MCULE-7088367969 |
0.60 |
[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
|
|
| MCULE-4870239930 |
0.60 |
C1CC2C(=C3C4CCCCC34)C2CC1
|
|
| MCULE-2633944962 |
0.60 |
CC(C(C1CC2(CC2)CCC1)=O)=C
|
|
| MCULE-1527777942 |
0.60 |
C1(=O)C(C)CC=C1
|
|
| MCULE-5064546197 |
0.60 |
[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
|
|
| MCULE-9499600420 |
0.60 |
C12CC1C1C(C(O)=O)C(C(O)=O)C2C=C1
|
|
| MCULE-1703362786 |
0.60 |
NC1CC(C(C2CCCCC=2)=O)=CC1
|
|
| MCULE-6217200752 |
0.60 |
O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-4292909613 |
0.60 |
CC(C(C1CCC2(CC2)CC1)=O)=C
|
|
| MCULE-2527215493 |
0.60 |
C1=CC2C=CC3C(=O)CC1C23
|
|
| MCULE-6367656540 |
0.60 |
C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-5111117747 |
0.60 |
C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-5766695755 |
0.60 |
C(F)(F)(F)C1CC=CC(=O)C1
|
|
| MCULE-3826320975 |
0.60 |
[H]C(CCC)=C(CC)C(C)=O
|
|
| MCULE-1308336736 |
0.60 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-2691948275 |
0.60 |
C1(C)(C)C=CC(=O)C1
|
|
| MCULE-1012434291 |
0.60 |
C=CC(C1CC2(CC2)CCC1)=O
|
|
| MCULE-7929024326 |
0.60 |
C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
|
|
| MCULE-3143886740 |
0.60 |
C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-9474095410 |
0.60 |
[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-6888052424 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| 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-8045386580 |
0.60 |
C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-9335086572 |
0.60 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-4167735225 |
0.60 |
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-9418551163 |
0.60 |
C12(C)C(O)(CCC1C1C(CC2O)C2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-3121556913 |
0.60 |
[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-5643440248 |
0.60 |
[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-6132152847 |
0.60 |
[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-9660893096 |
0.60 |
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-3979294448 |
0.60 |
[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-4546155810 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(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-5396685230 |
0.60 |
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-1128702855 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
|
|
| MCULE-1821855723 |
0.60 |
C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
|
|
| MCULE-4797309594 |
0.60 |
[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-4964860916 |
0.60 |
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-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-4227913812 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CBr)=O
|
|
| MCULE-1655274985 |
0.60 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
|
|
| MCULE-1963273832 |
0.60 |
[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-8466128773 |
0.60 |
[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-4479203479 |
0.60 |
[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-9380673221 |
0.60 |
OC(C(C=CC1CC2C(C2)CC1)=O)=O
|
|
| MCULE-5677861178 |
0.60 |
[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
|
|
| MCULE-6911820459 |
0.60 |
C1(CCCCC=1N)C(C)=O
|
|
| MCULE-2570487264 |
0.60 |
OC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-1857694923 |
0.60 |
[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
|
|
| MCULE-6114766265 |
0.60 |
C1(CC2CC1C=C2)C(Cl)=O
|
|
| MCULE-6477437107 |
0.60 |
C1(CCCC(=O)C=1)C(O)=O
|
|
| MCULE-2705141143 |
0.60 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
|
|
| MCULE-3023348221 |
0.60 |
C1(C)(CC2CC1C=C2)C(O)=O
|
|
| MCULE-3769993317 |
0.60 |
CCC(C(C1CCCCCC=1)=O)(F)F
|
|
| MCULE-1918074338 |
0.60 |
C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-9341959688 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
|
|
| MCULE-7082387982 |
0.60 |
C(C(C#N)C#N)(C#N)(C#N)CC(=O)C1CC2CC1C=C2
|
|
| MCULE-2093338891 |
0.60 |
C1(=O)/C(=C2\CCCC\2)/CC/C/1=C1\CCCC\1
|
|
| MCULE-6490731029 |
0.60 |
C1(CC)=CC(C=C(CC)C1=O)=O
|
|
| MCULE-2467601128 |
0.60 |
C1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-8873332241 |
0.60 |
NC1C(C(CC2CC=CC2)=O)CCCC1
|
|
| MCULE-6262778979 |
0.60 |
OC1(C(CC2CC=CC2)=O)CCCCC1
|
|
| MCULE-1852323478 |
0.60 |
CC(C(C#N)(CC1CC=CCC1)C)=O
|
|
| MCULE-8608951999 |
0.60 |
OC(C=CC1CC2C(C2)CC1)=O
|
|
| MCULE-5474930579 |
0.60 |
NC1(C(CC2CC=CC2)=O)CCCCC1
|
|
| MCULE-2611969931 |
0.60 |
[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-5214801115 |
0.60 |
C1(C(C)(C)C)=CC(=O)C=C(C(C)(C)C)C1=O
|
|
| MCULE-3222494622 |
0.60 |
C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
|
|
| MCULE-9981088288 |
0.60 |
C1(C)(C)C(CC=C1C)CC(N)=O
|
|
| MCULE-5817153512 |
0.60 |
C1(=O)C(C(C)C)=CC(=O)C=C1C(C)C
|
|
| MCULE-7916341231 |
0.60 |
[C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
|
|
