| MCULE-7639346141 |
1 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
|
|
| MolPort-035-706-373 |
1 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MCULE-4986901322 |
0.95 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MolPort-035-706-372 |
0.95 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MCULE-2321781017 |
0.85 |
CC1OC(C(CC2CC=CCC2)=O)CC1
|
|
| MCULE-2591985853 |
0.85 |
CC1(C(CC2CC=CCC2)=O)OCCC1
|
|
| MCULE-1292561691 |
0.85 |
CC1C(C(CC2CC=CCC2)=O)OCC1
|
|
| MCULE-2665777576 |
0.84 |
CC1C(C2C=CCCC2)C(=O)CO1
|
|
| MCULE-2555944797 |
0.82 |
CC1C(C2C=CCCCCC2)C(=O)CO1
|
|
| MCULE-2664519273 |
0.82 |
O=C1C(CC2C3C=CC(CC3)C2)COC1
|
|
| MCULE-7060204243 |
0.80 |
CC1C(CCC2CCCCC=2)C(=O)CO1
|
|
| MCULE-8374344586 |
0.80 |
O=C1C(CCC2CCCCC=2)COC1
|
|
| MCULE-7641008425 |
0.80 |
CC1C(CC2CC=CCC2)C(=O)CO1
|
|
| MCULE-9612148440 |
0.80 |
O=C1C(CC2CC=CCC2)COC1
|
|
| MCULE-4966336591 |
0.80 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
|
|
| MCULE-6649407342 |
0.80 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-9090867563 |
0.80 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
|
|
| MCULE-2091190347 |
0.80 |
OC(C1(OCCC1)CC1CC=CCC1)=O
|
|
| MCULE-7405954364 |
0.80 |
[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
|
|
| MCULE-9144922088 |
0.80 |
C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
|
|
| MCULE-5591099284 |
0.80 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
|
|
| MolPort-002-527-432 |
0.80 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-000-707-481 |
0.80 |
CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-003-958-863 |
0.80 |
CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-002-525-601 |
0.80 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-509-911 |
0.80 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-512-553 |
0.80 |
CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-007-980-841 |
0.80 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
|
|
| MolPort-002-506-867 |
0.80 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-046-596-330 |
0.80 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
|
|
| MCULE-6360105150 |
0.79 |
O=C1C(CC2CCCC=2)COC1
|
|
| MCULE-4238406785 |
0.79 |
CC1C(CC2CCCC=2)C(=O)CO1
|
|
| MCULE-4854708910 |
0.79 |
CC1(C(=O)C(CC2CC=CCC2)CO1)C
|
|
| MolPort-039-052-567 |
0.79 |
C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-002-525-721 |
0.78 |
CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
|
|
| MCULE-7694957039 |
0.78 |
O=C1CCC(OCC2CC=CCC2)CC1
|
|
| MCULE-7563615671 |
0.78 |
CC1OC(C(CC2CC=CC2)=O)CC1
|
|
| MolPort-003-009-842 |
0.77 |
CC12OC1C(=O)C1C3CC(C=C3)C1C2=O
|
|
| MolPort-001-762-287 |
0.77 |
O=C1C2OC2C(=O)C2C3CC(C=C3)C12
|
|
| MolPort-044-755-244 |
0.77 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3CC=C2C1
|
|
| MCULE-6499922066 |
0.77 |
C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
|
|
| MCULE-1095043105 |
0.77 |
C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
|
|
| MolPort-046-596-261 |
0.76 |
C[C@@H]1CC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-002-510-498 |
0.76 |
C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-010-969-194 |
0.76 |
CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
|
|
| MCULE-6657834214 |
0.76 |
CC1C(C(CC2CC=CC2)=O)OCC1
|
|
| MCULE-5107744915 |
0.76 |
CC1(C(CC2CC=CC2)=O)OCCC1
|
|
| MCULE-2660227283 |
0.76 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-5549232456 |
0.76 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-4168657248 |
0.76 |
[C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
|
|
| MCULE-8166977907 |
0.76 |
O=C(OCC1CC=CCC1)CC1CCCC1
|
|
| MCULE-5515322675 |
0.76 |
C12(C(CC)=O)C3CC(C=C3)C1C(C1OC12)=O
|
|
| MolPort-003-850-810 |
0.76 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-019-990-913 |
0.76 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
|
|
| MolPort-027-640-939 |
0.76 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-028-196-343 |
0.76 |
O=C(CC1CCCC1)OCC1CCC=CC1
|
|
| MolPort-003-800-383 |
0.76 |
CCC(=O)C12C3OC3C(=O)C1C1CC2C=C1
|
|
| MolPort-035-706-526 |
0.75 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-046-596-327 |
0.75 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-506-983 |
0.75 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-020-005-756 |
0.75 |
C[C@]12C[C@H](OC1=O)[C@]1(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]1C2
|
|
| MolPort-002-509-553 |
0.75 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-000-720-153 |
0.75 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-002-526-864 |
0.75 |
CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-042-644-562 |
0.75 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-828-137 |
0.75 |
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MCULE-7409296969 |
0.75 |
[C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-8016431488 |
0.75 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
|
|
| MCULE-8460337326 |
0.75 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-4825273969 |
0.75 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-3655751389 |
0.75 |
[C@]12(O[C@@H]1C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C)C(=O)C
|
|
| MCULE-6412555386 |
0.75 |
[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
|
|
| MCULE-8822838184 |
0.75 |
C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-4960489764 |
0.75 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
|
|
| MCULE-7217652406 |
0.75 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-1988011337 |
0.75 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
|
|
| MCULE-1480805765 |
0.75 |
CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-3460278496 |
0.75 |
C12CCC(C=C1)CC2C(OCC)=O
|
|
| MCULE-5029800865 |
0.75 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
|
|
| MCULE-9697672273 |
0.75 |
CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
|
|
| MCULE-1316925332 |
0.75 |
CC(OC(C1C2C=CC(CC2)C1)=O)C
|
|
| MolPort-038-386-485 |
0.75 |
CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-689-506 |
0.75 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-002-510-983 |
0.74 |
COC(=O)CC1(C)OC2CCCCC2C2C=CCCC12
|
|
| MolPort-039-338-712 |
0.74 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-035-706-385 |
0.74 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
|
|
| MCULE-9975844805 |
0.74 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
|
|
| MCULE-8772466243 |
0.74 |
C1CC23CCOC(=O)C2(CCCC3)CC=1
|
|
| MCULE-8638278493 |
0.74 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
|
|
| MCULE-7076095662 |
0.74 |
O=C(C1CCCC1)OCC1CC=CCC1
|
|
| MCULE-5393900833 |
0.74 |
C(C)(=O)OC1CCC2(C)C3(C4C(OC(C4C4(C5CCC(C(C)C=CC(C)C(C)C)C5(C)CCC42[H])C=C3)=O)=O)C1
|
|
| MCULE-6875559589 |
0.74 |
C1(OC(C)=O)(CCC2C3C(C4CCC(CC4=CC3)C(OC)=O)CCC12)C(=O)COC(C)=O
|
|
| MCULE-5966997792 |
0.74 |
[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(=O)COC(CC)=O)[H]
|
|
| MCULE-4484538949 |
0.74 |
C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
|
|
| MCULE-4329306127 |
0.74 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)C
|
|
| MCULE-5307843642 |
0.74 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]2(O)C(COC(=O)CCC)=O)=CC(=O)C1
|
|
| MolPort-002-819-159 |
0.74 |
COC(=O)C1CCC2C3CCC4C(CCC4(OC(C)=O)C(=O)COC(C)=O)C3CC=C2C1
|
|
| MolPort-006-127-434 |
0.74 |
CC(=C)[C@@H]1C[C@H]2O[C@@]2(C)C(=O)C1
|
|
| MolPort-045-999-251 |
0.74 |
CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1
|
|
| MolPort-006-118-258 |
0.74 |
CCCC(=O)OCC(=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-046-596-362 |
0.74 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-006-111-530 |
0.74 |
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)COC(=O)CCC1CCCC1
|
|
| MolPort-006-069-223 |
0.73 |
CC(=O)OCC(=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-035-706-364 |
0.73 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-039-338-282 |
0.73 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-002-529-818 |
0.73 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21C(=O)CO
|
|
| MolPort-002-508-454 |
0.73 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
|
|
| MolPort-044-559-905 |
0.73 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-005-938-238 |
0.73 |
CC(C)(C)OC(=O)C1CC2CC1C=C2
|
|
| MolPort-001-793-877 |
0.73 |
CCOC(=O)C1CC2CC1C=C2
|
|
| MCULE-5246840558 |
0.73 |
[C@]12(C(CO)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-1065163743 |
0.73 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
|
|
| MCULE-2014291882 |
0.73 |
C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-9611860953 |
0.73 |
C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-1853994027 |
0.73 |
CC1(C(C2C=CCCC2)(C=O)CCO1)C
|
|
| MCULE-9946479435 |
0.73 |
OC(C1(OCCC1)CC1CC=CC1)=O
|
|
| MCULE-6020138869 |
0.73 |
C1C2CC(CC2C(=O)OC(C)(C)C)C=1
|
|
| MCULE-4463064740 |
0.73 |
C(OCC)(C1CC2CC1C=C2)=O
|
|
| MCULE-2766753223 |
0.73 |
C(=O)(OC(C)C)C1CC2CC1C=C2
|
|
| MCULE-1794103472 |
0.73 |
CC1(C(CC2CC=CC2)=O)OCCCC1
|
|
| MCULE-4774026424 |
0.73 |
O=C(C1OCCCC1)CC1CC=CC1
|
|
| MCULE-6276076551 |
0.73 |
C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-9513148820 |
0.73 |
O=C1C=C(CCC2OCCCC2)CCC1
|
|
| MCULE-9512042267 |
0.73 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
|
|
| MCULE-2122796304 |
0.73 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
|
|
| MCULE-9723128082 |
0.73 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MolPort-002-526-754 |
0.73 |
CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-810-764 |
0.73 |
CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-691-653 |
0.73 |
CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-762-520 |
0.73 |
CC(=O)O[C@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-689-953 |
0.72 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-003-941-574 |
0.72 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-035-706-426 |
0.72 |
C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-008-346-698 |
0.72 |
CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
|
|
| MolPort-046-158-388 |
0.72 |
C[C@@H](C[C@@H](O)C1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-035-706-363 |
0.72 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-026-867-367 |
0.72 |
C=CCCC(=O)C1CCCO1
|
|
| MolPort-026-241-626 |
0.72 |
CC1(CCCO1)C(=O)CCC=C
|
|
| MolPort-006-069-345 |
0.72 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-027-640-927 |
0.72 |
CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-027-640-928 |
0.72 |
CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-044-562-376 |
0.72 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-035-706-430 |
0.72 |
C[C@@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MCULE-3859706810 |
0.72 |
[H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3([H])[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(OC(CCC)=O)CC2)CCC(=O)C=4)[H]
|
|
| MCULE-2307310731 |
0.72 |
[C@]1(C(=O)CO)(OC(=O)CCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C
|
|
| MCULE-5041290339 |
0.72 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
|
|
| MCULE-3492234187 |
0.72 |
O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
|
|
| MCULE-6259050360 |
0.72 |
[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
|
|
| MCULE-8924549531 |
0.72 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
|
|
| MCULE-8274191901 |
0.72 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
|
|
| MCULE-6024570055 |
0.72 |
CC1(C(=O)C(CC2CC=CC2)CO1)C
|
|
| MCULE-3359428604 |
0.72 |
C/C(/C)=C/CCC1C(=O)C(C)(C)OC1
|
|
| MCULE-3728655247 |
0.72 |
O=CC1(COCCC1)CC1CC=CCC1
|
|
| MCULE-8140512979 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-1555066285 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H]
|
|
| MCULE-1252077735 |
0.72 |
C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-7433867323 |
0.72 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-1087443932 |
0.72 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-3207105074 |
0.72 |
CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
|
|
| MCULE-5454494701 |
0.72 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-7225794462 |
0.72 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1
|
|
| MCULE-1465573856 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
|
|
| MCULE-1795899971 |
0.72 |
C1CC23C(=O)OC(=O)C2(CCC3)CC=1
|
|
| MCULE-2769077006 |
0.72 |
C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
|
|
| MCULE-3930781117 |
0.72 |
O=C(C12COCC1C2)C1CCCCC=1
|
|
| MCULE-5053755296 |
0.72 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| MCULE-5907023439 |
0.72 |
[C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-8868589151 |
0.72 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-9103372368 |
0.72 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-7091792733 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
|
|
| MCULE-5613497776 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-8776636782 |
0.72 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-2122490766 |
0.72 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-7519944367 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-5653473871 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
|
|
| MCULE-6632709049 |
0.72 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
|
|
| MCULE-1094526426 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
|
|
| MCULE-8247739375 |
0.72 |
C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
|
|
| MCULE-7657515197 |
0.72 |
[C@]12(O)C(=O)COC1CC1C3CCC4=CC(CC[C@]4(C)C3CC[C@]21C)=O
|
|
| MolPort-046-418-349 |
0.72 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-418-348 |
0.72 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC([C@@H]4CC[C@@]3(C)[C@]1(C)CC2)=C(C)C
|
|
| MolPort-002-516-481 |
0.72 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)OC1=O
|
|
| MolPort-027-849-378 |
0.72 |
CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-027-835-567 |
0.72 |
O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C=C1
|
|
| MolPort-002-527-902 |
0.72 |
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-421 |
0.72 |
CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-596-379 |
0.72 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-769-790 |
0.72 |
O=C1OC(=O)C2C1[C@H]1CC[C@@H]2C=C1
|
|
| MolPort-046-596-250 |
0.72 |
CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-734-484 |
0.72 |
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C1C3C(=O)OC1=O
|
|
| MolPort-000-730-791 |
0.72 |
CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-000-700-526 |
0.72 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-001-764-908 |
0.72 |
O=C1OC(=O)C2C1C1CCC2C=C1
|
|
| MolPort-006-113-131 |
0.72 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-000-831-808 |
0.72 |
CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-528-065 |
0.72 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-529-231 |
0.72 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-001-512-555 |
0.72 |
CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-529-998 |
0.72 |
CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-649-784 |
0.72 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-592-361 |
0.72 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-761-785 |
0.72 |
CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
|
|
| MolPort-044-649-712 |
0.72 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-001-742-502 |
0.72 |
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
|
|
| MolPort-046-693-707 |
0.72 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC1OCC(=O)[C@]21O
|
|
| MolPort-002-510-316 |
0.71 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
|
|
| MolPort-046-418-969 |
0.71 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-046-793-139 |
0.71 |
CCC(=O)OC1(CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-002-527-421 |
0.71 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-596-236 |
0.71 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-689-952 |
0.71 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-006-137-767 |
0.71 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
|
|
| MolPort-002-509-754 |
0.71 |
CC(C)(CO)C1OC2CCCCC2C2C=CCCC12
|
|
| MolPort-039-339-016 |
0.71 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-001-917-870 |
0.71 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-000-145-850 |
0.71 |
CC1=CC2(C)C3C(C1C1C2C(=O)OC1=O)C(=O)OC3=O
|
|
| MolPort-002-800-509 |
0.71 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-044-637-463 |
0.71 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-067-613 |
0.71 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-158-385 |
0.71 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21OCC1=O
|
|
| MolPort-001-764-881 |
0.71 |
O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O
|
|
| MolPort-001-766-634 |
0.71 |
CC1CCC2=C(C)C3C4C(C(=O)OC4=O)C2(C1)C1C3C(=O)OC1=O
|
|
| MCULE-3458261213 |
0.71 |
C12C3C(=O)OC(=O)C3C(C3C1C(=O)OC3=O)C=C2
|
|
| MCULE-9897298185 |
0.71 |
C12C(C(=O)OC1=O)C13CCCCC1=CC2C1C(=O)OC(=O)C31
|
|
| MCULE-3232378757 |
0.71 |
C12(C)C=C(C)C(C3C(OC(=O)C13)=O)C1C(OC(=O)C21)=O
|
|
| MCULE-2890971693 |
0.71 |
[C@@]12(C(=O)CO1)[C@]1(C[C@H](O)[C@@]3([H])[C@]([H])([C@]1([H])CC2)CCC1=CC(=O)C=C[C@@]13C)C
|
|
| MCULE-1729468181 |
0.71 |
C1=CC2C3CC(=O)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-2602485743 |
0.71 |
C123CC(C)CCC1=C(C(C1C(OC(=O)C21)=O)C1C(OC(=O)C31)=O)C
|
|
| MCULE-5485844450 |
0.71 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MCULE-9253743476 |
0.71 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
|
|
| MCULE-6834807417 |
0.71 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.71 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-6415597267 |
0.71 |
[C@]12(C)C[C@@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-9610038426 |
0.71 |
C1(COC(CCCC)=O)(COC(CCCC)=O)C(C)CC(=CC1C)C
|
|
| MCULE-1491500449 |
0.71 |
O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
|
|
| MCULE-1138338360 |
0.71 |
CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-9075211166 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@]12CCC(=O)O1)[H]
|
|
| MCULE-7427942194 |
0.71 |
C(C1CCCC=C1)(=O)C(OCC)OCC
|
|
| MCULE-5783941091 |
0.71 |
O=C(OCC1CC=CCC1)CCC1OCCC1
|
|
| MCULE-1684395189 |
0.71 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
|
|
| MCULE-8117200139 |
0.71 |
[C@]12([H])C(=O)OC(=O)[C@@]1([H])[C@]1([H])C[C@@]2([H])C(=C1)C
|
|
| MCULE-4967241885 |
0.71 |
C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
|
|
| MCULE-9416510641 |
0.71 |
C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-7718531263 |
0.71 |
C1(=O)C2C3CC(C=C3)C2C(=O)O1
|
|
| MCULE-3179520262 |
0.71 |
C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-9368478699 |
0.71 |
O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
|
|
| MCULE-4992964291 |
0.71 |
C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
|
|
| MCULE-2662745028 |
0.71 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
|
|
| MCULE-7212307650 |
0.71 |
C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-4894937500 |
0.71 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
|
|
| MCULE-9777116319 |
0.71 |
C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
|
|
| MCULE-7442709707 |
0.71 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
|
|
| MCULE-7100298727 |
0.71 |
COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-2841725041 |
0.71 |
O=C(C1C2C1COC2)CC1CC=CCC1
|
|
| MCULE-6809736977 |
0.71 |
COC(C1C2C=CC(CC2)C1)=O
|
|
| MCULE-1716653767 |
0.71 |
CC(OCC([C@@]1([C@]2(C)[C@H]([C@H]3[C@H]([C@H](C2)O)[C@]2(C)C(=CC(CC2)=O)CC3)CC1)O)=O)=O
|
|
| MCULE-7586213775 |
0.71 |
C12([H])CC(O)C3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8269410469 |
0.71 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(C[C@@H](C4=CC(=O)CC[C@]34C)C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3185796840 |
0.71 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3525602825 |
0.71 |
CC(=O)OCC(=O)[C@@]1([C@]2(C[C@@H]([C@@H]3[C@]4(C)C(=CC(=O)CC4)CC[C@H]3[C@@H]2CC1)O)C)O
|
|
| MCULE-2875423098 |
0.71 |
C12(C)C[C@H](C3C4(C)C=CC(=O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)COC(=O)C)O
|
|
| MCULE-3397065732 |
0.71 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-4073913947 |
0.71 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-8416626381 |
0.71 |
C/C(/C)=C/CCC1C(=O)COC1
|
|
| MCULE-7276862551 |
0.71 |
[C@@]1(OC(=O)CCC)(C(=O)COC(=O)C)CC[C@@]2([H])[C@]3([H])C[C@@H](C4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C
|
|
| MCULE-3416493799 |
0.71 |
CC1C(CC/C=C(\C)/C)C(=O)CO1
|
|
| MCULE-1292912968 |
0.71 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MolPort-002-528-161 |
0.71 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(C)=O
|
|
| MolPort-027-847-947 |
0.71 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(C)=O
|
|
| MolPort-028-247-126 |
0.71 |
O=C(CCC1CCCO1)OCC1CCC=CC1
|
|
| MolPort-000-208-022 |
0.71 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-946-559 |
0.71 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
|
|
| MolPort-001-963-974 |
0.71 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-002-508-875 |
0.71 |
CCCCC(=O)OCC1(COC(=O)CCCC)C(C)CC(C)=CC1C
|
|
| MolPort-046-697-238 |
0.71 |
CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
|
|
| MolPort-046-790-507 |
0.71 |
C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@@]12C
|
|
| MolPort-001-932-115 |
0.71 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-507-401 |
0.71 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-360 |
0.71 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-044-729-631 |
0.71 |
C[C@]12[C@@H]3C[C@@H](C=C3)[C@H]1C(=O)OC2=O
|
|
| MolPort-044-723-995 |
0.71 |
C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1C(=O)OC2=O
|
|
| MolPort-046-156-417 |
0.71 |
C[C@@]12C[C@@H](OC1=O)[C@]1(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]1C2
|
|
| MolPort-039-144-848 |
0.71 |
O=C1OC(=O)C2[C@H]3C[C@@H](C=C3)C12
|
|
| MolPort-000-725-088 |
0.71 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-006-109-285 |
0.71 |
O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12
|
|
| MolPort-004-956-447 |
0.71 |
O=C1OC(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
|
|
| MolPort-009-015-246 |
0.71 |
COC(=O)CC[C@]1(C)[C@H]2CCC[C@H]3COC[C@@]23C(=O)C=C1C
|
|
| MolPort-002-524-164 |
0.71 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-023-220-384 |
0.71 |
O=C1OC(=O)C2[C@@H]3C[C@@H](C=C3)C12
|
|
| MolPort-000-860-893 |
0.71 |
O=C1OC(=O)C2C3CC(C=C3)C12
|
|
| MolPort-035-706-457 |
0.71 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-392 |
0.71 |
COC(=O)[C@@]12CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2
|
|
| MolPort-028-754-123 |
0.71 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-002-527-626 |
0.71 |
CC(=O)OCC(=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-035-394-235 |
0.71 |
CC(=O)OCC(=O)C1(O)CCC2C1CC(O)C1C2CCC2=CC(=O)CCC12
|
|
| MolPort-002-528-836 |
0.71 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-005-933-841 |
0.71 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-046-596-392 |
0.71 |
C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC(O)C2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-911-110 |
0.71 |
C[C@@H]1CC2C3CCC4CC(=O)C=CC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-001-740-055 |
0.71 |
CC(=O)OCC(=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-027-836-480 |
0.71 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-042-675-528 |
0.71 |
CC(C)(O)C1OCC(CC1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-431 |
0.71 |
CC(C)(O)[C@@H]1OC[C@@H](C[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-026-241-833 |
0.70 |
CC1(CCCO1)C(=O)CCCC=C
|
|
| MolPort-002-525-852 |
0.70 |
C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-000-829-812 |
0.70 |
CC1C=C(C)CC2C1C(=O)OC2=O
|
|
| MolPort-002-507-055 |
0.70 |
CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-000-797-000 |
0.70 |
CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
|
|
| MolPort-002-529-607 |
0.70 |
CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-000-719-984 |
0.70 |
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-016-633-248 |
0.70 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
|
|
| MolPort-002-529-841 |
0.70 |
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-416 |
0.70 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-567-562 |
0.70 |
CCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
|
|
| MolPort-002-528-961 |
0.70 |
CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-524-912 |
0.70 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CCC3[C@@]4(C)CC[C@@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-596-420 |
0.70 |
CCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-529-413 |
0.70 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-649-592 |
0.70 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-596-294 |
0.70 |
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-649-704 |
0.70 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-029-999-028 |
0.70 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-113-596 |
0.70 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-006-126-442 |
0.70 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-529-023 |
0.70 |
CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(C[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-035-683-171 |
0.70 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-039-338-335 |
0.70 |
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(=O)C1
|
|
| MolPort-035-683-186 |
0.70 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-000-735-108 |
0.70 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
|
|
| MolPort-039-052-417 |
0.70 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-038-428-286 |
0.70 |
CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
|
|
| MolPort-046-596-278 |
0.70 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(C[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-002-841-866 |
0.70 |
CC(=O)OC1CCC2C3C=CC4C(C)(C)C(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-509-430 |
0.70 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MCULE-4431617841 |
0.70 |
C1CC2(C)C3CCC4(C)C(C5COC(C(O)(C)C)C(O)C5)CCC4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-1660597451 |
0.70 |
CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
|
|
| MCULE-4298463614 |
0.70 |
O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
|
|
| MCULE-2246615794 |
0.70 |
C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
|
|
| MCULE-8005965492 |
0.70 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-5491138764 |
0.70 |
C1(=O)C2C(C)C=C(CC2C(=O)O1)C
|
|
| MCULE-1124925533 |
0.70 |
C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-1244370752 |
0.70 |
C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-5641241273 |
0.70 |
O=C1C2C3C=CC(CCCC3)C2C(=O)O1
|
|
| MCULE-5800803041 |
0.70 |
C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
|
|
| MCULE-5715586535 |
0.70 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])COC2)[H]
|
|
| MCULE-1401500807 |
0.70 |
O=C1C(CC2CC=CCC2)COCC1
|
|
| MCULE-3976819674 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-8118520301 |
0.70 |
C1[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@]4(OC(=O)CC)C(=O)CO)[C@]3([H])CCC2=CC(=O)C1
|
|
| MCULE-7083098838 |
0.70 |
O=C(C12CCCC1C2)C1OCCCC=1
|
|
| MCULE-1090723140 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-9685471149 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-4784866063 |
0.70 |
CCC(=O)O[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C(=O)CO
|
|
| MCULE-1939387046 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O)[H]
|
|
| MCULE-2906301243 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCC)=O)[H]
|
|
| MCULE-5957376137 |
0.70 |
O=C(C1OCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-2403352810 |
0.70 |
C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-2039968402 |
0.70 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
|
|
| MCULE-9489909920 |
0.70 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-2054566768 |
0.70 |
[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
|
|
| MCULE-5998876996 |
0.70 |
O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
|
|
| MCULE-1537420527 |
0.70 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-6499205732 |
0.70 |
O=C1C=C(CCC2OCCCC2)CC1
|
|
| MCULE-2019795890 |
0.70 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-3362275267 |
0.70 |
C1CC=CC2C(C(OCC)=O)C2CC1
|
|
| MCULE-2935787590 |
0.70 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-9683452020 |
0.70 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-6809618026 |
0.70 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
|
|
| MCULE-5531778494 |
0.70 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
|
|
| MCULE-1607221597 |
0.70 |
C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
|
|
| MCULE-1777552821 |
0.70 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
|
|
| MCULE-4910019179 |
0.70 |
CCC(CC1C(=O)COC1)=C
|
|
| MCULE-8629208814 |
0.70 |
O=CC1(CCOCC1)CC1CC=CCC1
|
|
| MCULE-2457325018 |
0.70 |
C1CC(CCCCC(OCC)=O)CCC=1C
|
|
| MCULE-8460518853 |
0.70 |
CCC(CC1C(=O)COC1C)=C
|
|
| MCULE-2356589109 |
0.70 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-3756805391 |
0.70 |
C12(C)C(CCC3C1CCC1(C3CCC1O)C)CC(C1(CCC3=C(CC4(C(C)(C5CCC6(C([H])(CCC6O)C5CC4)C)C3)[H])O1)C2)=O
|
|
| MCULE-5099122669 |
0.70 |
[C@]12(C)C[C@@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-5590913017 |
0.70 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MolPort-002-525-874 |
0.70 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-765-478 |
0.70 |
COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33CCC(=O)O3)C12
|
|
| MolPort-004-951-461 |
0.70 |
O=C1OC(=O)C2C1C1C=CC2C11CC1
|
|
| MolPort-046-418-888 |
0.70 |
CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-002-691-856 |
0.70 |
CC1=CC2C3C(C4C3C(=O)OC4=O)C1C1C2C(=O)OC1=O
|
|
| MolPort-002-911-096 |
0.70 |
CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
|
|
| MolPort-006-121-818 |
0.70 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-007-980-859 |
0.70 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
|
|
| MolPort-046-697-187 |
0.70 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-002-529-150 |
0.70 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-019-692-088 |
0.70 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
|
|
| MolPort-044-649-737 |
0.69 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-515-580 |
0.69 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
|
|
| MolPort-023-198-070 |
0.69 |
O=C1CCC2(CCOCC2)C=C1
|
|
| MolPort-039-338-521 |
0.69 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-003-698-563 |
0.69 |
COC(=O)C1CC2CC1C=C2
|
|
| MolPort-002-527-896 |
0.69 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
|
|
| MolPort-001-762-335 |
0.69 |
COC(=O)C1CC2CC1C=C2
|
|
| MolPort-030-042-294 |
0.69 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-528-277 |
0.69 |
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)COC(=O)CCC(O)=O
|
|
| MolPort-046-690-464 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-507-007 |
0.69 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-001-739-263 |
0.69 |
CC(C)=C1CC[C@]23CO[C@H](C2)[C@](O)(CCC13)C(O)=O
|
|
| MolPort-046-765-550 |
0.69 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-046-594-234 |
0.69 |
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-006-668-365 |
0.69 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
|
|
| MolPort-007-980-828 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-010-969-193 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C(C)=O)C3CC=C2C1
|
|
| MolPort-020-005-743 |
0.69 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-002-526-404 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-027-948-624 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-006-126-876 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-357 |
0.69 |
CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-023-598-683 |
0.69 |
CC1(CCCCO1)C(=O)CCC=C
|
|
| MCULE-2449230661 |
0.69 |
C1(CC2CC1C=C2)C(OC)=O
|
|
| MCULE-4937005028 |
0.69 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
|
|
| MCULE-7110389607 |
0.69 |
O=C1C=CC2(CCOCC2)CC1
|
|
| MCULE-2127723525 |
0.69 |
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
|
|
| MCULE-2103729807 |
0.69 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-7005966850 |
0.69 |
O=C(CCC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)O)O
|
|
| MCULE-2616985564 |
0.69 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
|
|
| MCULE-6952577518 |
0.69 |
C[C@@]12[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1[C@@H](O)C2
|
|
| MCULE-7422457609 |
0.69 |
CC1(C(C(C2CCCCC=2)=O)CCO1)C
|
|
| MCULE-8365402403 |
0.69 |
C1[C@@]23CC/C(=C(/C)\C)/C2CC[C@@](C(O)=O)(O)[C@@H]1OC3
|
|
| MCULE-9425225826 |
0.69 |
C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-8457539977 |
0.69 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-5727001856 |
0.69 |
O=C(C12COCC1C2)C1CCCCCC=1
|
|
| MCULE-9407663226 |
0.69 |
O=C(C12COCC1C2)C1CCCC=1
|
|
| MCULE-2182894320 |
0.69 |
CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
|
|
| MCULE-2971649214 |
0.69 |
CC(OC1CC2C(C3C(CC=2)C2CC4C(C(=O)C)(C2(C)CC3)O4)(C)CC1)=O
|
|
| MCULE-9824682578 |
0.69 |
[C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
|
|
| MCULE-1172054424 |
0.69 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)[C@@H]1O2
|
|
| MCULE-2016791403 |
0.69 |
C(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5(C(C)=O)[C@@]([H])(C[C@@]4([H])[C@]3([H])CC=C2C1)O5)(=O)C
|
|
| MCULE-2095449953 |
0.69 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)C1O2
|
|
| MCULE-3933385900 |
0.69 |
[C@]12(C(C)=O)[C@H](O1)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H]
|
|
| MCULE-2999920945 |
0.69 |
C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
|
|
| MCULE-2458465887 |
0.69 |
O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
|
|
| MCULE-4945759027 |
0.69 |
OC(C1(CC=CC1)CC1COCC1)=O
|
|
| MCULE-2187659696 |
0.69 |
O=CC1(COCC1)CC1CC=CCC1
|
|
| MCULE-8899661988 |
0.69 |
O=C(C12COCC1C2)CC1CC=CCC1
|
|
| MCULE-8553860527 |
0.69 |
C12(C3C4C5C(C1OC1C5C3CC1)C1C3CC=CC3C2C14)C=O
|
|
| MCULE-1955355747 |
0.69 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-3268211483 |
0.69 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C
|
|
| MCULE-8794665540 |
0.69 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O
|
|
| MCULE-1992456011 |
0.69 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-1849472820 |
0.69 |
C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-8036810785 |
0.69 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H]
|
|
| MCULE-9107883806 |
0.69 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
|
|
| MCULE-7609787636 |
0.69 |
O1C(=O)C2C(CC(=CC2)C)C1=O
|
|
| MCULE-4683482437 |
0.69 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
|
|
| MCULE-3429789050 |
0.69 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-3824820609 |
0.69 |
C1(C)CC2(C(=O)OC(=O)C2(C)CC=1)C
|
|
| MCULE-1413309866 |
0.69 |
CC1CC2C(OC(=O)C2CC=1C)=O
|
|
| MCULE-9599193894 |
0.69 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
|
|
| MCULE-6092837871 |
0.69 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-5289910824 |
0.69 |
C12CC1C1C=CC2C2C(=O)OC(=O)C21
|
|
| MCULE-7155641625 |
0.69 |
C(=O)(OC1CC2CC1CC2)C1C(C(O)=O)C2CC1C=C2
|
|
| MCULE-1400366705 |
0.69 |
[C@H]12C[C@H]1[C@H]1C=C[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21
|
|
| MCULE-7500403231 |
0.69 |
[C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-8359993163 |
0.69 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-9925372485 |
0.69 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-1625834654 |
0.69 |
C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-3580664146 |
0.69 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MolPort-046-589-843 |
0.69 |
COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
|
|
| MolPort-001-740-061 |
0.69 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-144 |
0.69 |
C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
|
|
| MolPort-003-666-223 |
0.69 |
C[C@H]1CC2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-520-707 |
0.69 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-765-467 |
0.69 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C([2H])([2H])[2H])(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-000-737-773 |
0.69 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-689-349 |
0.69 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-001-785-923 |
0.69 |
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-035-868-714 |
0.69 |
CC(O)=O.C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-000-830-618 |
0.69 |
CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-001-794-638 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-001-018-394 |
0.69 |
CC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-044-755-228 |
0.69 |
CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@]2(C)C1
|
|
| MolPort-002-507-374 |
0.69 |
C[C@H]1C[C@H]2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-507-115 |
0.69 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-000-154-940 |
0.69 |
CC1=C(C)CC2C(C1)C(=O)OC2=O
|
|
| MolPort-001-932-114 |
0.69 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-039-338-911 |
0.69 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-044-183-412 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-004-951-336 |
0.69 |
O=C1OC(=O)C2C1C1C=CC2C2CC12
|
|
| MolPort-039-138-962 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-028-610-012 |
0.69 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-002-088-576 |
0.69 |
OC(=O)C1C2CC(C=C2)C1C(=O)OC1CC2CCC1C2
|
|
| MolPort-046-697-189 |
0.69 |
CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-006-119-261 |
0.69 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-596-926 |
0.69 |
CC12CC3OC33C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-007-980-860 |
0.69 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(C)=O
|
|
| MolPort-002-534-301 |
0.69 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-761-619 |
0.69 |
[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O
|
|
| MolPort-044-728-864 |
0.69 |
[Na+].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)COC(=O)CCC([O-])=O
|
|
| MolPort-046-689-954 |
0.69 |
CCCC1(OC)OCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)O1
|
|
| MolPort-023-278-236 |
0.69 |
[Na+].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)COC(=O)CCC([O-])=O
|
|
| MolPort-039-052-484 |
0.69 |
CC1(C)O[C@H]1CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
|
|
| MolPort-002-116-843 |
0.69 |
CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
|
|
| MolPort-003-941-625 |
0.69 |
[NaH].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)COC(=O)CCC(O)=O
|
|
| MolPort-000-737-923 |
0.68 |
CC1=CCCC(C1)C1OCC2CCC(=C)C1C2
|
|
| MolPort-039-052-559 |
0.68 |
COC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-035-706-393 |
0.68 |
COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-005-944-607 |
0.68 |
CC1C=CC2CCCCC2C1CCC1CC(O)CC(=O)O1
|
|
| MolPort-003-941-230 |
0.68 |
CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C
|
|
| MolPort-046-761-006 |
0.68 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-000-718-038 |
0.68 |
CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-023-278-910 |
0.68 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-001-845-394 |
0.68 |
COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
|
|
| MolPort-002-145-630 |
0.68 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-046-692-054 |
0.68 |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MCULE-7706016137 |
0.68 |
[Na+].[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O)O
|
|
| MCULE-7583261760 |
0.68 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC([O-])=O)=O)[H].[Na+]
|
|
| MCULE-4622236046 |
0.68 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-5544927487 |
0.68 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)(C(OC)=O)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-2883797701 |
0.68 |
C1(CC2C3=CCC4C5(C(CCC4(C)C3(C)CCC2(C(=O)O)CC1)C(CO)(C)C(O)C(O)C5)C)(C(=O)OC)C
|
|
| MCULE-1938313770 |
0.68 |
O=C1C2C3CC(C4C3O4)C2C(C2C3CC(C=C3)C21)=O
|
|
| MCULE-5753734207 |
0.68 |
C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
|
|
| MCULE-4026127058 |
0.68 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
|
|
| MCULE-7015396651 |
0.68 |
C12C(=O)OC(=O)C1C1CCCC2C=C1
|
|
| MCULE-5886720027 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)=O
|
|
| MCULE-5816353779 |
0.68 |
O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
|
|
| MCULE-6004210718 |
0.68 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-8024539765 |
0.68 |
O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-3574561675 |
0.68 |
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
|
|
| MCULE-4975286883 |
0.68 |
C1CC(CC2CCCO2)CCC=1C
|
|
| MCULE-9199968322 |
0.68 |
C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
|
|
| MCULE-8392723345 |
0.68 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-9535038485 |
0.68 |
C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
|
|
| MCULE-2242115329 |
0.68 |
CC1C(CCC(C)=C)C(=O)CO1
|
|
| MCULE-3486771028 |
0.68 |
C(CC(=O)OCC)CCCCCC=CCCCCCCCC
|
|
| MCULE-4591747967 |
0.68 |
CC(CCC1C(=O)COC1)=C
|
|
| MCULE-2646733803 |
0.68 |
C123C=CC1(CC1OC1C2)CCCC3
|
|
| MCULE-7840184850 |
0.68 |
CC1C(C(CC2CC=CCC2)=O)CCO1
|
|
| MCULE-5302779679 |
0.68 |
CC1OCC(C(CC2CC=CCC2)=O)C1
|
|
| MCULE-6906348244 |
0.68 |
C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
|
|
| MCULE-3353701926 |
0.68 |
O1C2C1C1CC2C2C1C(C=CC2=O)=O
|
|
| MCULE-7005445792 |
0.68 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-5593960668 |
0.68 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-3344154059 |
0.68 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-3968820569 |
0.68 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
|
|
| MCULE-7226741017 |
0.68 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
|
|
| MCULE-3146262991 |
0.68 |
C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-4735662565 |
0.68 |
O=C(C1OCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-4846663089 |
0.68 |
O=C(C1OCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-6690425983 |
0.68 |
C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6631619200 |
0.68 |
O=C(C12CCCCC1C2)C1OCCCC=1
|
|
| MCULE-6074226479 |
0.68 |
C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-8643661135 |
0.68 |
O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
|
|
| MCULE-7914276135 |
0.68 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
|
|
| MCULE-2994624081 |
0.68 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-2603538836 |
0.68 |
C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
|
|
| MCULE-5089449970 |
0.68 |
C12(C(=O)COC(C)=O)C(O1)CC1([H])C3(C([H])(CCC21C)C1(C)CCC(CC1=CC3)O)[H]
|
|
| MCULE-2614241915 |
0.68 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C(=O)C)OC(=O)CC)C
|
|
| MCULE-8334353275 |
0.68 |
O=C1CCC2(C)C3C4CC5(C(O)O4)C(CCC5C3CCC2=C1)C(COC(C)=O)=O
|
|
| MolPort-023-332-000 |
0.68 |
C1OCC2CC=CCC12
|
|
| MolPort-007-980-885 |
0.68 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-006-130-881 |
0.68 |
CCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-001-788-276 |
0.68 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-044-183-375 |
0.68 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
|
|
| MolPort-044-183-364 |
0.68 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-561-396 |
0.68 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-183-373 |
0.68 |
[2H]C([2H])(\C=C/CCCCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
|
|
| MolPort-001-742-706 |
0.68 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-046-692-277 |
0.68 |
CCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)C1=O
|
|
| MolPort-002-511-669 |
0.68 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-003-941-283 |
0.68 |
CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-006-123-274 |
0.68 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)=O
|
|
| MolPort-006-712-929 |
0.67 |
COC(=O)C1CCC(C)=CC1
|
|
| MolPort-020-007-852 |
0.67 |
COC1(CCC2=C(C[C@@H](C)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)OC
|
|
| MolPort-006-130-833 |
0.67 |
COC(=O)C1(C)CCC(C)=CC1
|
|
| MolPort-044-561-394 |
0.67 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-002-510-459 |
0.67 |
CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-561-663 |
0.67 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
|
|
| MolPort-006-115-611 |
0.67 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-046-793-309 |
0.67 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-000-207-694 |
0.67 |
COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-000-823-748 |
0.67 |
COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-921-994 |
0.67 |
CC1CC2=C(CC1COC(C)=O)C(C)(C)CCC2
|
|
| MolPort-046-793-308 |
0.67 |
CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-001-783-805 |
0.67 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
|
|
| MolPort-035-706-401 |
0.67 |
COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
|
|
| MolPort-002-506-876 |
0.67 |
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-561-383 |
0.67 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-392 |
0.67 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-561-662 |
0.67 |
CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-002-511-796 |
0.67 |
COC(=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-183-363 |
0.67 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-360 |
0.67 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-353 |
0.67 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-028-196-509 |
0.67 |
CC(C)CC(=O)OCC1CC=CCC1C
|
|
| MolPort-044-755-245 |
0.67 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C(C)C)[C@@H]3CC=C2C1
|
|
| MolPort-002-506-884 |
0.67 |
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-124-971 |
0.67 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
|
|
| MolPort-003-939-461 |
0.67 |
CC(=O)OC(C)(C)C1CCC(C)=CC1
|
|
| MolPort-006-127-334 |
0.67 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-183-372 |
0.67 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-755-196 |
0.67 |
CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-521-223 |
0.67 |
COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-240 |
0.67 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CO
|
|
| MolPort-000-700-004 |
0.67 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-035-706-432 |
0.67 |
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(C)(C)[C@@H](O)[C@H](O)C1
|
|
| MolPort-001-827-091 |
0.67 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-507-126 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-000-826-425 |
0.67 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-153 |
0.67 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-007-980-861 |
0.67 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
|
|
| MolPort-002-510-452 |
0.67 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-003-892-477 |
0.67 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-529-504 |
0.67 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
|
|
| MolPort-046-765-468 |
0.67 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@@]3(C)OC(C)=O)[C@@]2(C)CCC(=O)C=C12
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|
| MolPort-002-530-377 |
0.67 |
CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-765-420 |
0.67 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)C[C@]12C
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|
| MolPort-027-848-173 |
0.67 |
CCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
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|
| MolPort-000-827-126 |
0.67 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
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|
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0.67 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-046-596-371 |
0.67 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
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0.67 |
CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-764-683 |
0.67 |
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)[C@@H](O)C[C@]12C
|
|
| MCULE-4772039176 |
0.67 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1
|
|
| MCULE-3623108676 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
|
|
| MCULE-5486393555 |
0.67 |
C(OC)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-9323409980 |
0.67 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-4841780318 |
0.67 |
C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
|
|
| MCULE-7920901589 |
0.67 |
C1C(C(=O)OC)(C)CC(C)=C(C)C1
|
|
| MCULE-2247897001 |
0.67 |
COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
|
|
| MCULE-5174909262 |
0.67 |
C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
|
|
| MCULE-5465935467 |
0.67 |
C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2
|
|
| MCULE-7832981899 |
0.67 |
C(OC)(=O)C1CCC(=CC1)C
|
|
| MCULE-3541447914 |
0.67 |
C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-6716714175 |
0.67 |
C1CC(C)=CCC1C(C)(C)OC(=O)C
|
|
| MCULE-7240141445 |
0.67 |
[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
|
|
| MCULE-8805854090 |
0.67 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-6950544067 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCC(OC)=O)[H]
|
|
| MCULE-4453162060 |
0.67 |
CC(CC(OCC1C(C)CC=CC1)=O)C
|
|
| MCULE-1124335251 |
0.67 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
|
|
| MCULE-2997418374 |
0.67 |
C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-2479536906 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(OC)=O)[H]
|
|
| MCULE-5385888311 |
0.67 |
CC1OC(CC2(C(O)=O)CC=CC2)CC1
|
|
| MCULE-7515900360 |
0.67 |
O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1C3CCC(CC=3C[C@@H](C)[C@@H]21)(OC)OC
|
|
| MCULE-9037199231 |
0.67 |
OC(C1(CC=CC1)CC1OCCC1)=O
|
|
| MCULE-7459808702 |
0.67 |
[C@@]12(C)C[C@@H]([C@]([H])([C@@]3(C)CC[C@@]([H])(C(C)(C)O)O3)[C@@]1(C)CC=C1C2C[C@H](O)C2[C@]1(C)CC[C@H](O)C2(C)C)O
|
|
| MCULE-4706828771 |
0.67 |
C12CCC(CC=1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@]2(C)C(CC[C@@]12[H])=O)(OC)OC
|
|
| MCULE-8464956672 |
0.67 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-9035451811 |
0.67 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-1739744430 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-8597054153 |
0.67 |
O=C(C1OCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-6332676455 |
0.67 |
CC(C1C(C(C2OCCCC=2)=O)C1)(C)C
|
|
| MCULE-7783529046 |
0.67 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-2339507429 |
0.67 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-3793958264 |
0.67 |
O=C(C1OCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-1844011893 |
0.67 |
O=C(C1OCCCC=1)C1C2(CC2)C1
|
|
| MCULE-9006451734 |
0.67 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-8958095760 |
0.67 |
CC(C(C1OCCCC=1)=O)C1CCC1
|
|
| MCULE-1972388021 |
0.67 |
O=C(C1OCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-9352251517 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-4172276793 |
0.67 |
O=C(C12CCCC1C2)C1OCCC=1
|
|
| MCULE-9803186551 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-5462754937 |
0.67 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(CC)=O
|
|
| MCULE-8015339526 |
0.67 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCCCC)=O)[H]
|
|
| MCULE-4877956227 |
0.67 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@@](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)C=C[C@]21C)(O)C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-4494500718 |
0.67 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-6328864567 |
0.67 |
[C@]12(C)CC(O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-9628114351 |
0.67 |
[C@]12(C)C[C@H](O)[C@@]3([C@@]4(C)C=CC(=O)C=C4CC[C@@]3([H])[C@@]1(CC[C@]2(O)C(=O)COC(=O)CC(C)(C)C)[H])[H]
|
|
| MCULE-8407720746 |
0.67 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O
|
|
| MCULE-5015030206 |
0.67 |
CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O
|
|
| MCULE-5866611081 |
0.67 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-4909263569 |
0.67 |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-8627319345 |
0.67 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O
|
|
| MCULE-7919639616 |
0.67 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-6797419887 |
0.67 |
C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
|
|
| MCULE-9858855246 |
0.67 |
O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
|
|
| MCULE-4793681995 |
0.67 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-6077958460 |
0.67 |
C(OC)(CC1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-1044387998 |
0.67 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-8587814356 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-6067558194 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-8824249409 |
0.67 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-5874149529 |
0.67 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
|
|
| MCULE-8613188927 |
0.67 |
CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O
|
|
| MCULE-4529602980 |
0.67 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2
|
|
| MCULE-3608441851 |
0.67 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-8982382729 |
0.67 |
C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H]
|
|
| MCULE-5501928946 |
0.67 |
C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
|
|
| MCULE-1602734224 |
0.67 |
O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-7045925975 |
0.67 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-9000317976 |
0.67 |
O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1
|
|
| MCULE-7343644414 |
0.67 |
C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
|
|
| MCULE-7382046053 |
0.67 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O
|
|
| MCULE-8267556474 |
0.67 |
C12C3C(C)(CCC(C)(C3)C(=O)OC3CCCCC3C)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-5822421820 |
0.67 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-9808053205 |
0.67 |
C[C@@H](C1=C2C[C@@H]([C@H]3[C@]4(CCC(C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)=O)C)O)C[C@@H]([C@H](C(OC)(C)C)O)O
|
|
| MCULE-2451101251 |
0.67 |
C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
|
|
| MCULE-1291038880 |
0.67 |
C[C@H](CCC(=O)OC)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C(=CC)C3=O)[H])([H])CC1
|
|
| MCULE-6421717076 |
0.67 |
O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
|
|
| MCULE-8967422657 |
0.67 |
O1C(C)(C)CCCC1(C)C(=O)C=CCC
|
|
| MCULE-7772727437 |
0.67 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-2384003351 |
0.67 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-8392201259 |
0.67 |
C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
|
|
| MCULE-4565271647 |
0.67 |
C12CCC(C(=O)COC(=O)CCC(=O)O)C1(C)CCC1C3(C)CCC(=O)C=C3CCC21
|
|
| MCULE-1835141621 |
0.67 |
C12C3C=CC(C3=C(C)C)C1C(OC2=O)=O
|
|
| MCULE-5488659453 |
0.67 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-5243784193 |
0.67 |
C(OCCCCCCCCCCCCCCCCCC)(=O)[C@@]1(C[C@@]2(C3=CC([C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)C(C)(C)[C@H](CC5)O)=O)[H])C
|
|
| MolPort-002-911-155 |
0.67 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-003-959-766 |
0.67 |
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-784-535 |
0.67 |
CCOC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-002-799-474 |
0.67 |
C[C@@]1(CC=C)[C@H]2CCC[C@H]3COC[C@@]23CCC1=O
|
|
| MolPort-002-644-155 |
0.67 |
CC1CC(=C)CC(O1)C1CC=C(C)CC1C
|
|
| MolPort-000-835-526 |
0.67 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-046-793-259 |
0.67 |
CCC(=O)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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|
| MolPort-046-596-337 |
0.67 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-003-959-707 |
0.67 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-959-637 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-003-959-064 |
0.67 |
C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12)C=C(C)C
|
|
| MolPort-003-850-422 |
0.67 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-000-692-409 |
0.67 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
|
|
| MolPort-035-946-557 |
0.67 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
|
|
| MolPort-006-111-246 |
0.67 |
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-001-569-829 |
0.67 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
|
|
| MolPort-002-135-205 |
0.67 |
CC\C=C\C(=O)C1(C)CCCC(C)(C)O1
|
|
| MolPort-030-000-106 |
0.67 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-019-992-388 |
0.67 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-529-441 |
0.67 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
|
|
| MolPort-002-528-954 |
0.67 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-528-752 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-023-278-923 |
0.67 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(=O)CO2)[C@H]13
|
|
| MolPort-002-507-402 |
0.67 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-023-221-738 |
0.67 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(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)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-002-508-597 |
0.67 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)OC1=O
|
|
| MolPort-046-765-487 |
0.67 |
CCCCCCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-019-995-532 |
0.67 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-935-397 |
0.67 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-001-508-577 |
0.67 |
CC(C)=C1C2C=CC1C1C2C(=O)OC1=O
|
|
| MolPort-046-591-674 |
0.67 |
CCOC(=O)C1C2CC\C=C/CCC12
|
|
| MolPort-039-338-643 |
0.67 |
COC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-000-726-176 |
0.67 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-590-621 |
0.67 |
CCOC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-042-652-640 |
0.67 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
|
|
| MolPort-046-418-951 |
0.67 |
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)C2=CC[C@@H]2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
|
|
| MolPort-002-527-825 |
0.66 |
CCC(=O)OCC(=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-046-596-386 |
0.66 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-006-668-378 |
0.66 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
|
|
| MolPort-006-069-075 |
0.66 |
CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-790-894 |
0.66 |
CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-507-129 |
0.66 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-035-706-294 |
0.66 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MolPort-000-295-002 |
0.66 |
CCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-006-124-217 |
0.66 |
CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-000-778-228 |
0.66 |
CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-044-649-785 |
0.66 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-596-340 |
0.66 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
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|
| MolPort-002-510-031 |
0.66 |
CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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|
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0.66 |
CCCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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|
| MolPort-003-940-792 |
0.66 |
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
| MolPort-003-940-763 |
0.66 |
CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
| MolPort-003-928-863 |
0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
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0.66 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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0.66 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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0.66 |
CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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0.66 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)OC(C)=O
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|
| MolPort-000-795-108 |
0.66 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-042-646-612 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-027-847-790 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCCC
|
|
| MolPort-002-319-532 |
0.66 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
|
|
| MolPort-002-501-637 |
0.66 |
CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-501-638 |
0.66 |
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-029-999-375 |
0.66 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-501-639 |
0.66 |
CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-501-655 |
0.66 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-501-660 |
0.66 |
CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-030-042-307 |
0.66 |
CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-502-001 |
0.66 |
CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-295-010 |
0.66 |
CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-016-578-938 |
0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-836-412 |
0.66 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
|
|
| MolPort-000-295-004 |
0.66 |
CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-008-346-684 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C12CC3C[C@@H](CC(C3)C1)C2
|
|
| MolPort-007-980-856 |
0.66 |
C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O)OC(C)=O
|
|
| MolPort-003-893-546 |
0.66 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-003-893-547 |
0.66 |
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-510-156 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC1CCCCC1
|
|
| MolPort-003-855-546 |
0.66 |
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-528-936 |
0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-035-874-124 |
0.66 |
CC1C2C(C(C=C(C)C)C=C1C)C(=O)OC2=O
|
|
| MolPort-002-529-036 |
0.66 |
CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-046-594-654 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-002-511-119 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCC
|
|
| MolPort-003-721-672 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
|
|
| MolPort-003-710-687 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-003-855-540 |
0.66 |
CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-388-177 |
0.66 |
CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-000-294-998 |
0.66 |
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-911-094 |
0.66 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)OC4CC5CCC4C5)C3CC=C2C1
|
|
| MolPort-000-294-992 |
0.66 |
CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-810-756 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
|
|
| MolPort-001-793-906 |
0.66 |
CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-530-244 |
0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCC
|
|
| MolPort-002-530-234 |
0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C1CCCC1
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|
| MolPort-002-530-141 |
0.66 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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|
| MolPort-046-594-655 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-003-855-484 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCC
|
|
| MolPort-002-529-701 |
0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCC
|
|
| MolPort-002-526-154 |
0.66 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
|
|
| MolPort-003-855-492 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCC
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|
| MolPort-003-855-532 |
0.66 |
CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-003-855-514 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
|
|
| MolPort-003-855-505 |
0.66 |
CCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-528-527 |
0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCC
|
|
| MolPort-003-855-503 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC1CCCCC1
|
|
| MolPort-003-855-519 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCCC
|
|
| MolPort-003-855-530 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCC
|
|
| MolPort-003-855-497 |
0.66 |
CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-002-886-211 |
0.66 |
CC(=O)OC1CC2CC1C1C=CCC21
|
|
| MolPort-003-938-896 |
0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-529-126 |
0.66 |
CCC(=O)OC1C[C@@H]2C[C@H]1C1CC=CC21
|
|
| MolPort-006-122-262 |
0.66 |
CCC(=O)OC1CC2CC1C1CC=CC21
|
|
| MolPort-006-121-317 |
0.66 |
CCOC(=O)C1CCC=CC1
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|
| MolPort-021-782-997 |
0.66 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-002-507-829 |
0.66 |
CCC(=O)OC1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21
|
|
| MolPort-027-728-401 |
0.66 |
CCOC(=O)CC1CCC=C1
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|
| MolPort-046-790-430 |
0.66 |
CO[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C
|
|
| MCULE-6632797081 |
0.66 |
C1(OC(=O)CC(C)(O)CC(=O)O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3CCC2C(C)(C)C1O
|
|
| MCULE-8469102313 |
0.66 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-4246019761 |
0.66 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-1835452878 |
0.66 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-5018857376 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
|
|
| MCULE-9186876350 |
0.66 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-8227756693 |
0.66 |
C1(=O)C2C(C)C(C)=CC(/C=C(/C)\C)C2C(=O)O1
|
|
| MCULE-4139907319 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-1257490890 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-2887956476 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(C)=O
|
|
| MCULE-4593875674 |
0.66 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5265419450 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-7572819806 |
0.66 |
CCCCCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-9956647861 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-9783531925 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-3362097880 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-8461996452 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9987906336 |
0.66 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-7560687727 |
0.66 |
[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-1091492885 |
0.66 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-7313126879 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-3632686303 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-7000169771 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-8977795489 |
0.66 |
CCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-4311810496 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-5475024726 |
0.66 |
[C@@H]1(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC=2
|
|
| MCULE-6943417160 |
0.66 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-8252955604 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-9770266464 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1286036245 |
0.66 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC)CC1=CC2)[H]
|
|
| MCULE-8608886418 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-1526124264 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-5476020058 |
0.66 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-7520151391 |
0.66 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-3569475442 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6785867509 |
0.66 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCCC)CC1=CC2)[H]
|
|
| MCULE-1900297968 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-1361205448 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-9767686096 |
0.66 |
C[C@]12CC[C@H](OC(=O)CCCCCCCCCCCCC)CC1=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-7271710617 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-5451000624 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-3568637165 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1675088199 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8816644358 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-6883610361 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MCULE-7300055150 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-7973895970 |
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])CC=C2C[C@H]1OC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-4487426289 |
0.66 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-3951215552 |
0.66 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5268900721 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-5520472136 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(O)C(C)=O
|
|
| MCULE-6581533408 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-3263354032 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4894890520 |
0.66 |
C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
|
|
| MCULE-2831209997 |
0.66 |
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)CCCCCC)CC[C@]21C)=O
|
|
| MCULE-9543309945 |
0.66 |
C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
|
|
| MCULE-3557825189 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8572432727 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-7551134886 |
0.66 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-4016604549 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-4759733755 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(O)C(C)=O
|
|
| MCULE-1587965499 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-8057071681 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-6594306024 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7699673107 |
0.66 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-1928835025 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2730494737 |
0.66 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-3582226231 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-1588785943 |
0.66 |
CCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-7277178316 |
0.66 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-6654749941 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-6929994718 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-1705600426 |
0.66 |
C12C(CCC(=O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-7226046270 |
0.66 |
C12C(CCC(O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-6478036230 |
0.66 |
C1CC2(COC(=O)C2([H])CC=1)C
|
|
| MCULE-4440606459 |
0.66 |
C1([H])(C(OC)=O)C2C3C4C1C=CC4C([H])(C(OC)=O)C3C=C2
|
|
| MCULE-5773937031 |
0.66 |
C12C3C=CC1C(C(OC)=O)(C)C1C=CC(C3(C(OC)=O)C)C12
|
|
| MCULE-8218822760 |
0.66 |
C12CC(C3CC=CC13)CC2OC(C)=O
|
|
| MCULE-1210480263 |
0.66 |
C1CC(C(=O)OCC)CCC=1
|
|
| MCULE-1107229357 |
0.66 |
O=CC1(C2OC(CC2)C1)CC1CC=CC1
|
|
| MCULE-3134302963 |
0.66 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-2306367523 |
0.66 |
C12CC(CC1OC(CC)=O)C1C=CCC21
|
|
| MCULE-5173677772 |
0.66 |
[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H]
|
|
| MCULE-5757363366 |
0.66 |
C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
|
|
| MCULE-3929496045 |
0.66 |
O=C1CCC(OCC2CC=CC2)CC1
|
|
| MCULE-8161615308 |
0.66 |
CC1C(CC(C)=C)C(=O)CO1
|
|
| MCULE-6427734294 |
0.66 |
C12C(C3CC1C=C3)C1COC(O1)C2=O
|
|
| MCULE-3797371394 |
0.66 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(O)C2=C1)C(COC(C)=O)=O
|
|
| MCULE-2156810295 |
0.66 |
[C@]12(C)CCC(C=C1[C@@H](C)CC1C3[C@@](C)([C@@](CC3)(O)C(=O)COC(C)=O)CC=C21)=O
|
|
| MCULE-8321853166 |
0.66 |
C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
|
|
| MCULE-4935129848 |
0.66 |
C12=CC[C@]3(C(CC[C@]3(O)C(=O)COC(C)=O)C1CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-5708210639 |
0.66 |
C1C23COC(C2)C(C(O)=O)(O)CCC3C(C(O)(C)C)=C1
|
|
| MCULE-8064344923 |
0.66 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-7378412710 |
0.66 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CC(OCCC(O)=O)=O
|
|
| MCULE-4160347351 |
0.66 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-7071448896 |
0.66 |
O=C(C1OCCC=1)C1CCC2(CC2)CC1
|
|
| MCULE-8110589241 |
0.66 |
C12CC1C1C=CC2C(C1C(=O)OC(C)C)C(O)=O
|
|
| MCULE-2804316805 |
0.66 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-6899994435 |
0.66 |
O=C(C1OCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-7580027619 |
0.66 |
C12C(C=C1)C1C(=O)OC(=O)C21
|
|
| MCULE-6763312421 |
0.66 |
[C@]12(C)CC(OC(C)=O)C(C(C)(C)C1CC[C@]1(C)C2CC=C2C1(C)CCC1(CCC(C)(C)CC12)C(OCCC)=O)OC(C)=O
|
|
| MCULE-2188882812 |
0.66 |
C1C([H])(C)C2([H])C(=O)OC(=O)C2([H])C([H])(C)C=1
|
|
| MCULE-6807348478 |
0.66 |
CC1C(COC(COC2CCCCC2)=O)CC=CC1
|
|
| MCULE-9194849346 |
0.66 |
C1C=CC(C)C2C(=O)OC(=O)C12
|
|
| MCULE-2704621203 |
0.66 |
O=C(C12COCC1C2)CC1CCCC=1
|
|
| MCULE-5157212193 |
0.66 |
C1=CC(O)CCC21CCOC(C)(CC)C2
|
|
| MCULE-4868794833 |
0.66 |
O=CC1(COCCC1)CC1CC=CC1
|
|
| MCULE-2496032129 |
0.66 |
OC(C1(CC=CC1)CC1CCOCC1)=O
|
|
| MolPort-002-702-205 |
0.66 |
O=C1[C@@H]2OC[C@@H](O2)[C@H]2C3CC(C=C3)[C@@H]12
|
|
| MolPort-002-509-471 |
0.66 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-697-190 |
0.66 |
CC1CC(O)C2=C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-006-119-000 |
0.66 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-511-813 |
0.66 |
C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC=C2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-004-957-972 |
0.66 |
O=C1C2OCC(O2)C2C3CC(C=C3)C12
|
|
| MolPort-046-762-590 |
0.66 |
CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-510-241 |
0.66 |
CC(=O)OCC(=O)[C@]1(CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-001-739-620 |
0.66 |
CC(C)(O)C1=CCC23COC(C2)C(O)(CCC13)C(O)=O
|
|
| MolPort-002-529-145 |
0.66 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]2(C)[C@@]1(O)C(=O)CO)OC(C)=O
|
|
| MolPort-046-597-650 |
0.66 |
C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]2(C)[C@@]1(O)C(=O)CO)OC(C)=O
|
|
| MolPort-044-183-181 |
0.66 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-000-776-376 |
0.66 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C4CC[C@@]3(C)C1(C)CC2
|
|
| MolPort-046-690-258 |
0.66 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-044-649-740 |
0.66 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-676-324 |
0.66 |
C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-027-853-592 |
0.66 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)(C)[C@H]1O
|
|
| MolPort-006-116-794 |
0.66 |
CC1C=CCC2C1C(=O)OC2=O
|
|
| MolPort-035-834-864 |
0.66 |
CC1CC=CCC1COC(=O)COC1CCCCC1
|
|
| MolPort-046-692-025 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
|
|
| MolPort-044-649-713 |
0.66 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-510-621 |
0.66 |
CCC1(C)CC2(CCO1)CCC(O)C=C2
|
|
| MolPort-044-755-261 |
0.66 |
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-035-706-303 |
0.66 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-035-706-325 |
0.66 |
CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)OC(C)=O
|
|
| MolPort-005-943-418 |
0.65 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-002-512-073 |
0.65 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C)OC(C)=O
|
|
| MolPort-020-001-866 |
0.65 |
CCC(=O)OC1(CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(C)=O
|
|
| MolPort-002-529-073 |
0.65 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-507-199 |
0.65 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-005-945-240 |
0.65 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
|
|
| MolPort-002-511-329 |
0.65 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-145-709 |
0.65 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-046-423-663 |
0.65 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-765-479 |
0.65 |
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
|
|
| MolPort-020-393-553 |
0.65 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-044-179-830 |
0.65 |
C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-028-744-450 |
0.65 |
CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-002-526-484 |
0.65 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-937-956 |
0.65 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-739-260 |
0.65 |
C\C(CO)=C1\CCC23COC(C2)C(O)(CCC13)C(O)=O
|
|
| MolPort-003-847-034 |
0.65 |
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]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-701-787 |
0.65 |
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]1[C@]21CCC(=O)O1
|
|
| MolPort-046-689-666 |
0.65 |
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]1[C@@]21CCC(=O)O1
|
|
| MolPort-002-893-940 |
0.65 |
CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-761-515 |
0.65 |
C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]2(C)CC[C@H]3C([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]12
|
|
| MolPort-039-052-375 |
0.65 |
C[C@H](C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-044-649-739 |
0.65 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-765-549 |
0.65 |
[2H]C1([2H])C(=O)O[C@]2([C@H]3C[C@H]3[C@H]3[C@@H]4[C@H]5C[C@H]5C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1([2H])[2H]
|
|
| MolPort-006-111-314 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-755-207 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-285 |
0.65 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-169-466 |
0.65 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
|
|
| MolPort-044-600-547 |
0.65 |
COC(=O)[C@H]1C2CCC(C=C2)[C@H]1C(O)=O
|
|
| MolPort-002-524-866 |
0.65 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-006-823-213 |
0.65 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-003-873-418 |
0.65 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-508-571 |
0.65 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-030-082-369 |
0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-046-762-562 |
0.65 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-046-596-338 |
0.65 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-002-525-526 |
0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-002-528-923 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MCULE-6568122363 |
0.65 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(OC(CC)=O)C(=O)COC(C)=O)C[C@H](O)[C@]21[H])[H])C)=O
|
|
| MCULE-6981908624 |
0.65 |
C12(C)C=CC(C=C1C(CC1([H])C3(C(C)(C(CC3)(OC(CC)=O)C(=O)COC(C)=O)CC(O)C21[H])[H])C)=O
|
|
| MCULE-3419267005 |
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(=O)COC(CN)=O)[H]
|
|
| MCULE-7648693618 |
0.65 |
[C@]12(C)CC=C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-3718325887 |
0.65 |
O(C(CC)=O)[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O
|
|
| MCULE-5657172823 |
0.65 |
O(C(CCCC)=O)[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O
|
|
| MCULE-4098552700 |
0.65 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
|
|
| MCULE-7472025598 |
0.65 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-7846274654 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-3334544373 |
0.65 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-9439093573 |
0.65 |
[C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-7025819167 |
0.65 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
|
|
| MCULE-3300544479 |
0.65 |
C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C
|
|
| MCULE-2555920424 |
0.65 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-5385910148 |
0.65 |
C12=CC(O)CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C
|
|
| MCULE-9760230651 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-7096460548 |
0.65 |
C1C[C@@]2([H])C(=CC1=O)CC[C@]1([C@@]3([H])[C@@](CC[C@]21[H])(C)[C@@](OC(=O)C)(C(=O)C)C(=C)C3)[H]
|
|
| MCULE-8258665383 |
0.65 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1=C)OC(=O)C
|
|
| MCULE-5172373620 |
0.65 |
C1(C)(CC2CC1C=C2)C(OCCCCCl)=O
|
|
| MCULE-2674516333 |
0.65 |
C1(CC2CC1C=C2)C(OCCCCBr)=O
|
|
| MCULE-2971132760 |
0.65 |
C1(C)(CC2CC1C=C2)C(OCCCCBr)=O
|
|
| MCULE-8543972286 |
0.65 |
C12CC(C(C)C1C(OCCCCCl)=O)C=C2
|
|
| MCULE-9491423051 |
0.65 |
C1(/C2CCC(C(=O)O)(O)C3OCC2(C3)CC/1)=C(/C)\CO
|
|
| MCULE-9978018071 |
0.65 |
CC1([C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@@]2(C(=C(CC2)[C@@H](C[C@@H]([C@H](C(C)(O)C)OC(=O)C)O)C)C[C@@H]3O)C)[H])(C)CCC1=O)C
|
|
| MCULE-5873294860 |
0.65 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(O)C(OC(C)=O)C(O)(C)C
|
|
| MCULE-9909269217 |
0.65 |
C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
|
|
| MCULE-7602245034 |
0.65 |
C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-4899690160 |
0.65 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C
|
|
| MCULE-9210235948 |
0.65 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
|
|
| MCULE-7286590115 |
0.65 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@H](C(O)(C)C)OC(=O)C)CC[C@]21C)O)(C)C
|
|
| MCULE-1850569909 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-3173207342 |
0.65 |
C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
|
|
| MCULE-3754202975 |
0.65 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-6913740702 |
0.65 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-5241313012 |
0.65 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-3758685184 |
0.65 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-7081720222 |
0.65 |
COC([C@H]1C2C=CC(CC2)[C@H]1C(O)=O)=O
|
|
| MCULE-9650544498 |
0.65 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-3820122483 |
0.65 |
OC(C1(COCC1)CC1CC=CCC1)=O
|
|
| MCULE-9320911552 |
0.65 |
CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
|
|
| MCULE-6799150619 |
0.65 |
C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O
|
|
| MCULE-8676134264 |
0.65 |
O=C(C1C2OC(CC2)C1)CC1CC=CC1
|
|
| MCULE-5462014053 |
0.65 |
C1(C)=CC(C)C2C(C)C1C1(CCCC1)OC2
|
|
| MCULE-7150467746 |
0.65 |
O=C(C1CCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-8073715425 |
0.65 |
C1CC2(CO)COCC2(CO)CC=1
|
|
| MCULE-7903486032 |
0.65 |
C1CC2(C)C3CCC4(C)C(C(C)CC(O)C5OC5(C)C)CCC4(C)C3=CCC2C(C)(C)C1O
|
|
| MCULE-6919222464 |
0.65 |
CC(C=C(CC1COCC1)C)=O
|
|
| MCULE-4900002928 |
0.65 |
C1=CC2(C)C3[C@@H](OC(C)=O)CC4(C)[C@](C(=O)COC(C)=O)(O)CCC4C3C[C@H](C)C2=CC1=O
|
|
| MCULE-2014104728 |
0.65 |
[C@]12(C)CC=C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-2805436146 |
0.65 |
C12(C)C(CCC3C1CCC1(C3CCC1OC(C)=O)C)CC(C1(CCC3=C(CC4(C(C)(C5CCC6(C([H])(CCC6OC(C)=O)C5CC4)C)C3)[H])O1)C2)=O
|
|
| MCULE-4387351983 |
0.65 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-4840679686 |
0.65 |
C1(=O)[C@]2(O[C@]3(O)[C@]([C@@](CC/C=C(/C)\C)(C)[C@@H](C/C=C(\C)/C)C[C@]13C/C=C(\C)/C)(C(=O)C(C)C)C2=O)C/C=C(\C)/C
|
|
| MCULE-6074025811 |
0.65 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-6218547779 |
0.65 |
C12=CC[C@]3([C@@]([H])(CC[C@]3(O)C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)C=C[C@]21C)C
|
|
| MCULE-8329941805 |
0.65 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-1735653575 |
0.65 |
O=C(C1OCCC1)CC1CC2C(C2)C1
|
|
| MCULE-6589237358 |
0.65 |
O=C1C2C3CC1CC3CO2
|
|
| MCULE-3004543790 |
0.65 |
CC1(C(CC2CC3C(C3)C2)=O)OCCC1
|
|
| MCULE-2355101703 |
0.65 |
CC1C(C(CC2CC3C(C3)C2)=O)OCC1
|
|
| MCULE-3950750552 |
0.65 |
O=CC1OC2(CC3CC(CC3)C2)CC1
|
|
| MCULE-9123590356 |
0.65 |
O=CC1OC(C2CC3C(C3)C2)CC1
|
|
| MCULE-9422576702 |
0.65 |
CC1(C=O)OC2(CC3CC(CC3)C2)CC1
|
|
| MCULE-9463473752 |
0.65 |
C1C2OC2CCC=CC1
|
|
| MCULE-4474181666 |
0.65 |
CC1(C=O)OC(C2CC3C(C3)C2)CC1
|
|
| MCULE-3894042181 |
0.65 |
C12(C)CCC3CC1(C=O)OCC23C
|
|
| MCULE-4197387273 |
0.65 |
CC1OC(C(CC2CC3C(C3)C2)=O)CC1
|
|
| MCULE-9514417628 |
0.65 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C
|
|
| MCULE-6773378809 |
0.65 |
C1=CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-3358579622 |
0.65 |
O=C(OCC1CCCO1)C1CC2CC1C=C2
|
|
| MCULE-9395429387 |
0.65 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-9367731136 |
0.65 |
CC1([C@@H](OC(=O)C)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
|
|
| MCULE-5917433710 |
0.65 |
O=C(C1OCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-1689029135 |
0.65 |
O=C(C1OCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-8874070727 |
0.65 |
C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
|
|
| MCULE-7813982811 |
0.65 |
C1(CC2CC1C=C2)C(OCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-3880817234 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-6563972685 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-2565904577 |
0.65 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-2803933654 |
0.65 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-6215028771 |
0.65 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCC)CC1=CC2)[H]
|
|
| MCULE-9886067523 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](CC)[C@@H]2C(C)=O)[H]
|
|
| MCULE-9337389884 |
0.65 |
C(C)(=O)OC1CC2(CC=C3C(=CCC4(C)C(C(C)CCC(OC)=O)CCC43)C2(C)CC1)[H]
|
|
| MCULE-9533823250 |
0.65 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-2352400825 |
0.65 |
C12C(C(=O)OC)C(C(=O)OC)C(C(C(OC)=O)C1C(OC)=O)C=C2
|
|
| MCULE-9728792876 |
0.65 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-7088876584 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-8183627372 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-4121090747 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-1105300545 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-4068140047 |
0.65 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-6118345848 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-4172470592 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
|
|
| MCULE-7993538244 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-5701442831 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-6652384834 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
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|
| MCULE-9076166215 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
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|
| MCULE-4910370058 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
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|
| MCULE-4012121864 |
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[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
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|
| MCULE-1470831787 |
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C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C
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| MCULE-2991933231 |
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[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
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|
| MCULE-9028214804 |
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[C@@H]1(OC(C)=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC=2
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
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[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
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0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
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[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(C)=O)[H]
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C1=CC2C3C4C5C(C(OC)=O)(C2(C(OC)=O)C4C=C5)C13
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| MCULE-5699937164 |
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O=C(C1OCCOC1)CC1CC=CCC1
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[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
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[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
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| MCULE-4795427452 |
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C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
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C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
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C1(C)(C)C(C)=CCC1CC(O)CC(=O)C(C)C(=O)OCC
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| MCULE-3445538277 |
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C1(CCCC1=O)(C/C=C(\C)/C)C(OCC)=O
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C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
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OC(C1(CC=CC1)CC1OCCCC1)=O
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CC1C=C(C)C2C(C)C1COC21CCCC1
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O=C1CC2(CCOCC2)C=C1
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CC1C=C(C)C2[C@H](C)C1COC21CCCC1
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CC1CC(CCC=C(C)C)=CCC1COC(C)=O
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CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
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CC(CC(O)C1OC1(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC(C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)O[C@@]1(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C)C3=O
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)OC(C)=O
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C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
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CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O
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O=C1[C@@H]2C[C@@H]3CO[C@H]1[C@H]3C2
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COC(=O)[C@@]12C(=O)C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@H](CC[C@@]12C=O)OC(C)=O
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C1C[C@H]2O[C@H]2CC\C=C/1
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CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
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C1CC2OC2CC\C=C/1
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CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
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CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
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CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
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CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
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C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
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CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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C[C@@]12C[C@@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)CC[C@@]3(C)[C@@H](O)C1OC2=O
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CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(CO)C=C4C=O
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C[C@@H]1CC2C3CC=C4CCCC(OC(C)=O)C4(C)C3CCC2(C)[C@@]1(C)C(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
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CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
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C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(C)C(C)=O)OC(C)=O
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCC
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CC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1(C)C(C)=O)OC(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
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CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
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C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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C[C@@H]1CC2[C@@H]3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCC
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)CC
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
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C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
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CCC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1C(C)=O)OC(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
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CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)[C@@H]3CC=C2C1
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CC(CCC(O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
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CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)(C)C
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
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CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@]12C
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0.65 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O)OC(C)=O
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0.65 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)CC
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0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
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CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
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0.65 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(O)=O)[C@@H]3CC=C2C1
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CCOC(=O)C(C1CCCC=C1)C(=O)OCC
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CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(O)=O)C3CC=C2C1
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CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(=O)CC)OC(C)=O
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CC(CCC(O)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(O)=O)C3CC=C2C1
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
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CCOC(=O)C1(CC=C(C)C)CCCC1=O
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
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CC1OC1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C[C@H]2[C@]1(C)OC(C)=O)=C(C)C
|
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| MolPort-002-507-124 |
0.64 |
CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
|
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| MolPort-035-706-206 |
0.64 |
C[C@@H]1CC[C@H]([C@H]2[C@@H]3O[C@]3(C)CC[C@@H]12)C(=C)C(O)=O
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| MolPort-023-279-448 |
0.64 |
C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
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0.64 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
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| MolPort-006-393-332 |
0.64 |
[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
|
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| MolPort-001-794-637 |
0.64 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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| MolPort-002-507-143 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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0.64 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@]12C
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CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
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CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
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| MolPort-046-764-999 |
0.64 |
[2H]C1=CC2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C([2H])([2H])[C@]([2H])(O)[C@]21[2H]
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| MolPort-002-507-473 |
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C[C@H]1C[C@H]2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
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C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
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| MolPort-002-157-619 |
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CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
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CC1CC2C3CCC(O)(C(=O)COC(C)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
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CC1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
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CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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C[C@@H](CC[C@@H](O)C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O
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CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
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CC(=O)OCC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
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CC1CC=C2C1CC1(O)C(=O)CC2(C)C1(C)CO
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CC1C2C(CC(C=C(C)C)=C1C)C(=O)OC2=O
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CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
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CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CCC2=C1
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CC1[C@H]2[C@@H](CC(C=C(C)C)=C1C)C(=O)OC2=O
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
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CC(=O)C1OC(=O)CC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C
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O=C1CCCC11CCCO1
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OCCCCC\C=C/C\C=C/C(O)CC1CCC(CC(O)=O)O1
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COC(=O)C1C2CC(C=C2)C1C(=O)OC
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CCCCCCCCC\C=C\CC1CC(=O)OC1=O
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COC(=O)C1C2CC(C=C2)C1C(O)=O
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CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
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O=C1OC(=O)[C@@H]2CC=CC[C@H]12
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COC(=O)[C@@H]1C2CC(C=C2)[C@H]1C(O)=O
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O=C1OC(=O)C2CC=CCC12
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CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O)OC(C)=O
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CC1=CCC2C3COC(O3)C(=O)C2C1
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C[C@H]1CC2C3CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@]3(C)CC(OC(C)=O)C2[C@@]2(C)C=CC(=O)C=C12
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CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
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CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O)OC(C)=O
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0.64 |
C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
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C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
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C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
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[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
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CC(C1C(C(C2OCCC=2)=O)C1)(C)C
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C1C(OC(CC(O)/C=C\C/C=C\CCCCCO)C1)CC(O)=O
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O=C(C1OCCC=1)C1C2(CC2)C1
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CC(C(C1OCCC=1)=O)C1CCC1
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C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
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0.64 |
C1(C)C(=O)[C@@H]2O[C@@H]2[C@@H](C)C=1
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCC(=O)OC3CCC4(C(=CCC5C4CCC4(C5CCC4C(C)CCCC(C)C)C)C3)C)=O)C1CCC2C(C)CCCC(C)C
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0.64 |
CC1CC(C(C2OCCCC=2)=O)C1
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CC1(OC(C=O)CC1)CC1CCCC1
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CC1(OC(C=O)CC1)CC1CCCCC1
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0.64 |
O=CC1OC(C2C3CCC(CC3)C2)CC1
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CC1(OC(C=O)(C)CC1)CC1CCCC1
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0.64 |
O=C1CC(CC=CCCCCCCCCCCCCCCC)C(=O)O1
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C1CC2(C)C(=O)OC(=O)C2(C)CC=1
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0.64 |
O1C(=O)CC(CC=CCCCCCC)C1=O
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0.64 |
C1=CC2CC1C(C(=O)OC)C2C(=O)OC
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0.64 |
C12CC(C=C1)C(C(OC)=O)C2C(O)=O
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0.64 |
CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
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0.64 |
C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])C[C@@H](O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
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0.64 |
C12CC(C)=CCC1C1COC(O1)C2=O
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0.64 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
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0.64 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
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0.64 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(OC(C)=O)C(=O)COC(C)=O)C[C@H](OC(C)=O)[C@]21[H])[H])C)=O
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0.64 |
C(C=CCCCCCCCC(=O)OCCCC)[C@H](O)CCCCCC
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| MCULE-5177446419 |
0.64 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21)[H]
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| MCULE-4966801610 |
0.64 |
C1C[C@]2(C)CC(/C(/CC2[C@@]([C@@H]1OC(C1(OC1C)C)=O)(O)C)=C(\C)/C)=O
|
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| MCULE-6016945740 |
0.64 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
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| MCULE-2744861965 |
0.64 |
O=C1C(CC2CC=CC2)COCC1
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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
|
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| MCULE-1874567277 |
0.64 |
[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]
|
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| MCULE-8869963478 |
0.64 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
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0.64 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(=C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
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| MCULE-3768588065 |
0.64 |
C/C(/C)=C/CCC1C(=O)CCOC1
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| MCULE-5578038643 |
0.64 |
O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
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| MCULE-3465723245 |
0.64 |
[C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
|
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| MCULE-9190698368 |
0.64 |
O=C(CC1CCC(=O)C1CC=CCC)OC
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C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
|
|
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0.64 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
|
|
| MCULE-8553893906 |
0.64 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
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|
| MCULE-4995415924 |
0.64 |
C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
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|
| MCULE-2350131012 |
0.64 |
C(CCCCCCCCC=CCCCCCC)(OC)=O
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|
| MCULE-5483330032 |
0.64 |
O[C@@H]1[C@H]2[C@@H](C[C@H](C)C3[C@]2(C)C=CC(=O)C=3)[C@H]2[C@@](C)([C@](C(=O)COC(=O)CCC(O)=O)(O)CC2)C1
|
|
| MCULE-8109250856 |
0.64 |
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
|
|
| MCULE-5533097898 |
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C(CCCC(=O)OC)CCCC=CCCCCCC
|
|
| MCULE-7995984986 |
0.64 |
CCCCC(CC)COC(C1CC=CCC1C(OCC(CC)CCCC)=O)=O
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| MCULE-3190191335 |
0.64 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC(O)=O)CC3)CC2
|
|
| MCULE-6665058711 |
0.64 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
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|
| MCULE-2983937435 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@H](O)[C@]2([H])C(C)=O)[H]
|
|
| MCULE-6534469638 |
0.64 |
C(CCCCC=CCCCC)CCC(=O)OC
|
|
| MCULE-8493572612 |
0.64 |
C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
|
|
| MCULE-2808257085 |
0.64 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-8080610827 |
0.64 |
[H]C12CCCCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
|
|
| MCULE-7826570024 |
0.64 |
CC1([C@@H]2CC=C3[C@@]4(C)[C@]([C@@H]([C@H](C(=O)O)CCC(C(C)C)=C)CC4)(C)CC=C3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-7209202316 |
0.64 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(CCC(O)=O)=O
|
|
| MCULE-1052417281 |
0.64 |
C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-8945561023 |
0.64 |
C1=C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@@]4([H])[C@]3([H])C[C@H](C)C2=CC1=O
|
|
| MCULE-3684696083 |
0.64 |
CCCCCC/C=C/CCCCCCCC(OC)=O
|
|
| MCULE-8140747078 |
0.64 |
C(CCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-9560204706 |
0.64 |
C12(C)CCC3C(CC=C4CCC(OC(=O)CCCl)CC34C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9783163200 |
0.64 |
[Na+].C1CC2(C)C3CCC4(C)C(C([O-])=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-1631535635 |
0.64 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MCULE-1564688046 |
0.64 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-4705408493 |
0.64 |
[C@@H]1(O)C[C@]2(C)C3=CC(=O)[C@]4(C)[C@@]5([H])[C@H](C)[C@@]6(CC[C@H](C)CO6)O[C@@]5([H])CC4C3CC[C@@]2([H])C[C@H]1O
|
|
| MCULE-3995180038 |
0.64 |
O=C(C12C(C(=CC3C1(C)CCC1C(C)(C)C(OC(=O)C)CCC13C=O)C)(C)C(=O)C(O)(C)C2=O)OC
|
|
| MCULE-3521079663 |
0.64 |
Cl.[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(=O)COC(CN)=O)[H]
|
|
| MCULE-3543018898 |
0.64 |
CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-2791131855 |
0.64 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-9358355806 |
0.64 |
C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
|
|
| MCULE-8463642691 |
0.64 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-6325385060 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MCULE-1895908355 |
0.64 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])[C@@H]2O[C@]12C
|
|
| MCULE-2386800783 |
0.64 |
O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
|
|
| MCULE-8646276663 |
0.64 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-4822409054 |
0.64 |
C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-8953627920 |
0.64 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-3304274375 |
0.64 |
C12=CCC(C)C1CC1(O)C(C)(CO)C2(C)CC1=O
|
|
| MCULE-7818588594 |
0.64 |
CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
|
|
| MCULE-5186769141 |
0.64 |
C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-5825350607 |
0.64 |
[C@@]12([H])C[C@@H](C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)C)O)C
|
|
| MCULE-6163429552 |
0.64 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@@](CC3)(O)C(=O)COC(C)=O)CC(O)C21)C)=O
|
|
| MCULE-1714768829 |
0.64 |
CC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)C=C2)[C@@H](C)C3)[H])([H])CC1)O
|
|
| MCULE-6383206380 |
0.64 |
O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(COC(C)=O)=O
|
|
| MCULE-3657670503 |
0.64 |
C12(C(=O)COC(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-2899360955 |
0.64 |
[C@]12(C(=O)COC(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-6880830630 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-7531592521 |
0.64 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)=O
|
|
| MCULE-3650069558 |
0.64 |
O([C@]1([C@]2([C@@](CC[C@H]1OC(=O)C1(OC1C)C)(C)CC(=O)/C(=C(\C)/C)/C2)[H])C)C(C)=O
|
|
| MCULE-3688392585 |
0.64 |
O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-4138416849 |
0.64 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)=O
|
|
| MCULE-9949303370 |
0.64 |
C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-9287144806 |
0.64 |
C1=CC2(C)C3CCC4(C)C(C(C)=O)OC(=O)CC4C3CCC2=CC1=O
|
|
| MCULE-7448178395 |
0.64 |
[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
|
|
| MolPort-028-610-078 |
0.64 |
CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-588-137 |
0.64 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCC
|
|
| MolPort-003-958-686 |
0.64 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO
|
|
| MolPort-001-742-320 |
0.64 |
CC1OC1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(CC2[C@]1(C)O)=C(C)C
|
|
| MolPort-039-338-642 |
0.64 |
C[C@H](C[C@H](OC(C)=O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-001-741-109 |
0.64 |
CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
|
|
| MolPort-042-644-560 |
0.64 |
CC(=O)O[C@@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-509-571 |
0.64 |
CC(=O)O[C@@]1(CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-512-114 |
0.64 |
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-035-706-316 |
0.64 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)OC(C)=O
|
|
| MolPort-006-109-342 |
0.64 |
CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O
|
|
| MolPort-046-763-074 |
0.64 |
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-006-126-540 |
0.64 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-044-723-377 |
0.64 |
C[C@H](CC(=O)C(=C)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-039-337-800 |
0.64 |
CC\C=C\CC1C(CC(=O)OC)CCC1=O
|
|
| MolPort-039-338-640 |
0.64 |
C[C@H](C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-044-755-193 |
0.64 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-689-150 |
0.64 |
[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
|
|
| MolPort-003-892-472 |
0.64 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-035-706-353 |
0.64 |
CC(=C)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
|
|
| MolPort-003-941-737 |
0.64 |
CCCCCC\C=C/CCCCCCCCC(=O)OC
|
|
| MolPort-003-916-055 |
0.64 |
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
|
|
| MolPort-003-927-107 |
0.64 |
CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-003-933-240 |
0.64 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC
|
|
| MolPort-003-849-688 |
0.64 |
CCCCCCCCC=CCCCCCCCC(=O)OC
|
|
| MolPort-039-052-704 |
0.64 |
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-005-935-240 |
0.64 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-002-529-628 |
0.64 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-003-938-663 |
0.64 |
CCCC\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-003-959-894 |
0.64 |
CCCCCC\C=C\CCCCCCCCCC(=O)OC
|
|
| MolPort-001-740-140 |
0.64 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-003-938-950 |
0.64 |
CCCCCC\C=C\CCCCCCCC(=O)OC
|
|
| MolPort-003-959-376 |
0.64 |
CCCCCCCCCCC\C=C/CCCCC(=O)OC
|
|
| MolPort-003-938-957 |
0.64 |
CCCCCC\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-046-764-452 |
0.64 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-003-959-122 |
0.64 |
CCCCC\C=C/CCCCCCCCCCC(=O)OC
|
|
| MolPort-003-927-108 |
0.64 |
CCCCCC\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-009-019-018 |
0.64 |
CCCCCCCC\C=C/CCCCCC(=O)OC
|
|
| MolPort-028-747-757 |
0.64 |
CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC
|
|
| MolPort-002-328-798 |
0.64 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-690-502 |
0.64 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(O)=O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-030-082-247 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CCC(CC4(C)C3CCC12C)OC(=O)CCCl
|
|
| MolPort-046-765-798 |
0.64 |
C[C@@H]1C[C@H]2[C@H]3CCC(OC(=O)CCC(O)=O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-027-641-219 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-002-507-017 |
0.64 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-001-739-561 |
0.64 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C(CCC12C=O)OC(C)=O
|
|
| MolPort-021-804-634 |
0.64 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C
|
|
| MolPort-019-937-151 |
0.64 |
C[C@H]1[C@H]2[C@H](CC3C4CC[C@H]5C[C@@H](O)[C@H](O)C[C@]5(C)C4=CC(=O)[C@]23C)O[C@]11CC[C@H](C)CO1
|
|
| MolPort-035-706-554 |
0.63 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-000-824-500 |
0.63 |
CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-529-465 |
0.63 |
CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-002-530-517 |
0.63 |
CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-001-994-226 |
0.63 |
COC(=O)C1CC(C)=CC(C)C1C(O)=O
|
|
| MolPort-002-514-937 |
0.63 |
CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-039-338-520 |
0.63 |
COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-044-755-237 |
0.63 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(C)C[C@H](CCC4=C3CC[C@]12C)OC(C)=O
|
|
| MolPort-046-596-485 |
0.63 |
CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-558 |
0.63 |
CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-525-983 |
0.63 |
CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-507-122 |
0.63 |
CC(=O)OCC(=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-001-832-304 |
0.63 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C
|
|
| MolPort-003-666-150 |
0.63 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-000-724-481 |
0.63 |
CC1=CCC(CC1)C1OCC2CC=C(C)C1C2
|
|
| MolPort-020-180-334 |
0.63 |
CCCC1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-002-511-551 |
0.63 |
CC1=CCC(CC1)C1OC[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-000-717-560 |
0.63 |
CC(C)C1OCC2CC1C(C)=CC2C
|
|
| MolPort-003-937-820 |
0.63 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-003-937-819 |
0.63 |
CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
|
|
| MolPort-007-980-886 |
0.63 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-000-744-998 |
0.63 |
CC1C=C(C)C2C(C)C1COC2C1CCC(C)=CC1
|
|
| MolPort-002-511-480 |
0.63 |
CC(C)C1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-002-530-380 |
0.63 |
CC(C)C1OC[C@H]2C[C@@H]1C(C)=CC2C
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0.63 |
CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
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0.63 |
CCCCCC1OCC2(CC)C(C)C1C(C)C=C2C
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CC1C=C(C)[C@H]2C(C)[C@@H]1COC2C1CCC(C)=CC1
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CC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
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[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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CC(C)C1OC(C)(C)C2CC=C(C)C1C2
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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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CCCCC\C=C\C\C=C/CCCCCCCCCC(=O)OCC
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CCOC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
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CCCC1OC[C@H]2C(C)C=C(C)C1C2C
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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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CCCC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
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CC1CC(C)=CCC1C1OC[C@@H]2CC1C(C)=CC2C
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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)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
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CC(C)C1OC[C@@H]2CC=C(C)[C@H]1C2
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COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC1OC(C)(C)C2CC=C(C)C1C2
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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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COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5
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CC(=O)[C@@]1(O)CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
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CC(=O)C1(O)CCC2C3CC=C4CC5(CCC4(C)C3CCC12C)OCCO5
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CC(CCC1OC1(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC1CC2(CCC=C(C)C)CCC1(CO)CO2
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CC1C[C@]2(CCC=C(C)C)CCC1(CO)CO2
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C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
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C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]21CCO1
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CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
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CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(=O)CCl
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C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
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CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C(O)=O
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC
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CCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
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[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
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[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
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[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(CCC(C)C)=O)C1CC=C2C(C)=O
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C1(CC(C)=CC(C)C1C(O)=O)C(OC)=O
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[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
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[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
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C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
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C12(C)CC(=O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
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O=C1CC[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](CC[C@@]4(C(=O)COC(=O)C)O)([H])[C@]3([H])CCC2=C1)[H])C
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
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C1=CC2C3(COCCC3=C)C1CC2
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O1C(C)C2C(C)=CCC(C2)C1(C)C
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C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
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0.63 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
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[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]
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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
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
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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
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C(CCC(=O)OCC)CCC=CCC=CCC=CCC=CCC=CCC
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C12CC(CC=C1C)COC2C1CCC(=CC1)C
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C(CCCCCCCC=CCC=CCCCCC)(OCC)=O
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C(/CCCCCCCC(OCC)=O)=C/C/C=C\C/C=C\CC
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| MCULE-4255982344 |
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C(CCCCCCCC=CCC=CCC=CCC)(OCC)=O
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C1(C)=CC(C)C2C(C)C1C(CCC)OC2
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CCOCC1(C2C=CC(C2)C1)O
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C12CC(COC1C(C)C)C(C=C2C)C
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C(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C
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C(CC(=O)OCC)CCCCC/C=C/C/C=C/C/C=C/CC
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O1C(C)(C)C2CC=C(C)C(C2)C1C(C)C
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| MCULE-8850033734 |
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CC(OCC1(C2C=CC(C2)C1)O)C
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0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4CC5(OCCO5)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
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| MCULE-4810843401 |
0.63 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]2(O)C(C)=O
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OC(C=CC(C1C2OC(CC2)C1)=O)=O
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| MCULE-4145707178 |
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O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)([H])OC(C)=O
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0.63 |
C12(C)CCC3C(CC=C4CC5(OCCO5)CCC34C)C1CCC2(O)C(C)=O
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| MCULE-4640608487 |
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C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(CCl)=O
|
|
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0.63 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)[C@H](C)C4C(O[C@@H]([C@]34C)[C@H](O)C2C(C)=C1)=O
|
|
| MCULE-2794249583 |
0.63 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
|
|
| MCULE-5074709635 |
0.63 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
|
|
| MCULE-8684927566 |
0.63 |
O=CC1(CCOCC1)CC1CC=CC1
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|
| MCULE-9329009648 |
0.63 |
C12(CO)CCC(CC1C)(OC2)CC/C=C(\C)/C
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|
| MCULE-9997097977 |
0.63 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCl)=O
|
|
| MCULE-1531690228 |
0.63 |
C1(COC(=O)C)C(C(=O)O)CC(C)=CC1
|
|
| MCULE-2507451013 |
0.63 |
[C@@]12(C)CC[C@@]3([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(CC[C@@]3(CC[C@@]21C)C)(C)C)OC(=O)C
|
|
| MCULE-9929087674 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-4823161367 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-5482566460 |
0.63 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-2391054675 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9280847330 |
0.63 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-6762964573 |
0.63 |
C(CC(C)C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-9149239842 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC=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]1OC(=O)C
|
|
| MCULE-2969710957 |
0.63 |
C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-7783153626 |
0.63 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-1950814728 |
0.63 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-4994703608 |
0.63 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
|
|
| MCULE-8414563765 |
0.63 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(=O)[C@@]([H])(CCC(O)=O)[NH3+]
|
|
| MCULE-1834027873 |
0.63 |
CC1(C=O)OC2(CCC3(CC3)CC2)CC1
|
|
| MCULE-4168575272 |
0.63 |
C12C3C4C5OC3(C=O)C3C6CCC7OC(C=O)(C1C4CC5)C(C67)C23
|
|
| MCULE-5266251860 |
0.63 |
O=CC1OC2(CCC3(CC3)CC2)CC1
|
|
| MCULE-3098819367 |
0.63 |
[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(=O)COC([C@@]([H])(N)CCC(O)=O)=O)[H]
|
|
| MCULE-6474870676 |
0.63 |
CC1(C=O)OC2(C3(CCCC3)CC2)CC1
|
|
| MCULE-2941198887 |
0.63 |
O=C(C1CC(=O)CCC1)C1OCCC1
|
|
| MCULE-8441184593 |
0.63 |
O=CC1OC2(C3(CCCC3)CC2)CC1
|
|
| MCULE-7427472470 |
0.63 |
O=CC1OC2(C(C3CC3)CCCC2)CC1
|
|
| MCULE-5822889551 |
0.63 |
O=CC1OC2(C3(CCCCC3)CC2)CC1
|
|
| MCULE-8972335438 |
0.63 |
O=C1[C@]2(C)[C@](CC=C3[C@@]2([H])C[C@H](O)[C@@H](O)C3(C)C)([H])[C@@]2(C)[C@]([C@H]([C@@H](C2)O)[C@@](C)(O)C(=O)CCC(C)(O)C)(C)C1
|
|
| MCULE-1695863761 |
0.63 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-6384602125 |
0.63 |
OC(C1(COCCC1)CC1CC=CC1)=O
|
|
| MCULE-6066053107 |
0.63 |
COC1C(C(C2CCCCC=2)=O)C1
|
|
| MCULE-4633610104 |
0.63 |
C(=O)(OC)C(C)(C)C1CC[C@@]2(C)[C@]3(C)CC[C@@]4(C(=O)O)CC[C@@H](C)[C@](O)(C)[C@@]4([H])C3=CCC2[C@@]1(C)CC(=O)O
|
|
| MCULE-1910819843 |
0.63 |
COC1C(C(C2CCCCCCC=2)=O)C1
|
|
| MCULE-4588681059 |
0.63 |
OC(C1(C2COCC2)CC=CC1)=O
|
|
| MCULE-7541730655 |
0.63 |
CC1(C)C2=CCC3C4(C)CC(O)C(C(O)(C(CCC(O)(C)C)=O)C)C4(C)CC(=O)C3(C)C2CC(O)C1O
|
|
| MCULE-1733908720 |
0.63 |
CCCCCCCCCCCCOC(CCCCCCCC=CCC=CCCCCC)=O
|
|
| MCULE-5549887798 |
0.63 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
|
|
| MCULE-7772391429 |
0.63 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-5577107972 |
0.63 |
[Na+].C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC([O-])=O)CC3)C[C@@H]2C
|
|
| MCULE-9572199976 |
0.63 |
O=C(C1COCCC1)CC1CC=CC1
|
|
| MCULE-5797410500 |
0.63 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-7789504566 |
0.63 |
C12(C)CCC3(C([H])(CC=C4CC(OCCCC)CCC34C)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
|
|
| MCULE-2016404995 |
0.63 |
C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
|
|
| MCULE-7810067739 |
0.63 |
O=CC1(COCC1)CC1CC=CC1
|
|
| MCULE-1907836044 |
0.63 |
OC1C(CC2CCCC=2)COC1
|
|
| MCULE-2790120205 |
0.63 |
O1C2(CCC=CC2)CCC1
|
|
| MCULE-4967331616 |
0.63 |
OC(C1(C2CCOCC2)CC=CC1)=O
|
|
| MCULE-8887971464 |
0.63 |
CC1(C(C=O)(CC2CC=CC2)CCO1)C
|
|
| MCULE-5003752801 |
0.63 |
C1CC2C(CC=C3CC(OCCC)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
|
|
| MCULE-2981823417 |
0.63 |
C1CC2C(CC=C3CC(OCCC(C)C)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
|
|
| MCULE-9283085637 |
0.63 |
O1CC2C(C1)C=CCCCCCCCC2
|
|
| MCULE-3516804753 |
0.63 |
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-1540404527 |
0.63 |
[C@]12(C)CCC3C(CC=C4CC(OCCC)CC[C@]34C)C1CCC2C(C)/C=C/C(CC)C(C)C
|
|
| MCULE-1153848413 |
0.63 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-1844098719 |
0.63 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H](C)[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-5144743080 |
0.63 |
C12OCC(C3(C([H])(C(C)C=CC3)C1=O)[H])O2
|
|
| MCULE-7970606621 |
0.63 |
C1(=O)C=C2[C@](C)(C=C1)[C@]13O[C@@]1([H])C[C@@]1(C)[C@@]([H])(C[C@@H](C)[C@]1(O)C(=O)CO)[C@]3([H])CC2
|
|
| MCULE-4242284738 |
0.63 |
C12(CCC(C3C(=O)OC(=O)C13)C=C2)C(=O)O
|
|
| MCULE-6325290307 |
0.63 |
C123C(CCC4=CC(=O)C=CC14C)C1CC(C(O)(C(CO)=O)C1(CC2O3)C)C
|
|
| MCULE-5494067006 |
0.63 |
C123C(CCC4=CC(=O)C=CC14C)C1CC[C@](O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-2047280018 |
0.63 |
[C@H]12OC[C@H]([C@@]3([C@@]([H])([C@H](C)C=CC3)C1=O)[H])O2
|
|
| MCULE-5757704123 |
0.63 |
C123C(CCC4=CC(=O)C=CC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-2509173201 |
0.63 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@@H]([C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C)C
|
|
| MCULE-3921612257 |
0.63 |
[C@H]12OC[C@H]([C@@]3([C@@]([H])([C@H](C)C=CC3)C1=O)[H])O2
|
|
| MCULE-1119558653 |
0.63 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-6700943071 |
0.63 |
[C@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H]([C@](O)(C(CO)=O)[C@]1(C[C@H]2O3)C)C
|
|
| MCULE-9485946749 |
0.63 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-2992403454 |
0.63 |
O([C@H]1CC2[C@@]3(C(=O)C[C@]4(C)C(C5(C)CCC(C(O)(C)C)O5)[C@H](O)C[C@@]4(C)C3CC=C2C(C)(C)C1=O)C)[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
|
|
| MolPort-046-761-474 |
0.63 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC)C(=O)CO
|
|
| 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-035-706-538 |
0.63 |
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-046-596-373 |
0.63 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)[C@H](N)CCC(O)=O
|
|
| MolPort-002-509-604 |
0.63 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-044-637-547 |
0.63 |
COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
|
|
| MolPort-042-675-426 |
0.63 |
COC(=O)C(C)(C)C1CC[C@]2(C)C(CC=C3[C@@H]4[C@](C)(O)[C@H](C)CC[C@@]4(CC[C@@]23C)C(O)=O)[C@@]1(C)CC(O)=O
|
|
| MolPort-006-128-830 |
0.63 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC
|
|
| MolPort-001-569-826 |
0.63 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-020-005-739 |
0.63 |
CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-001-741-468 |
0.63 |
CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-002-525-199 |
0.63 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MolPort-006-114-238 |
0.63 |
[Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-003-666-471 |
0.63 |
[Na+].C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-007-980-917 |
0.63 |
COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-028-746-698 |
0.63 |
C1COC2(C1)CCC=CC2
|
|
| MolPort-006-112-202 |
0.63 |
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-002-514-171 |
0.63 |
COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-027-720-808 |
0.63 |
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-001-917-577 |
0.63 |
C1OCC2\C=C\CCCCCCCCC12
|
|
| MolPort-027-640-913 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-044-562-012 |
0.63 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-035-706-334 |
0.63 |
COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-035-706-331 |
0.63 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-035-706-399 |
0.63 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
|
|
| MolPort-004-958-062 |
0.63 |
C[C@@H]1C=CC[C@@H]2C3COC(O3)C(=O)[C@H]12
|
|
| MolPort-003-986-663 |
0.63 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-765-419 |
0.63 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@]33O[C@H]3C[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-021-804-540 |
0.63 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-002-528-237 |
0.63 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-019-940-198 |
0.63 |
CC1CC2C3CCC4=CC(=O)C=CC4(C)C33OC3CC2(C)C1(O)C(=O)CO
|
|
| MolPort-044-650-183 |
0.63 |
OC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-002-530-525 |
0.63 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-741-478 |
0.63 |
CC(C)(O)C1CCC(C)(O1)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-002-724-163 |
0.63 |
C[C@@H]1C=CC[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@H]12
|
|
| MolPort-002-792-443 |
0.63 |
CC12CC3OC33C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-527-667 |
0.63 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]33O[C@@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-596-334 |
0.63 |
C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-045-968-786 |
0.63 |
CC1C=CCC2C3COC(O3)C(=O)C12
|
|
| MolPort-006-112-733 |
0.63 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-507-138 |
0.63 |
C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@]33O[C@@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-000-831-717 |
0.63 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-002-158-819 |
0.63 |
CC1CC(C)=CC(C)C11COC2(CCCC2)OC1
|
|
| MolPort-019-937-217 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-762-885 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-020-005-955 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-052-352 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)C1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-527-666 |
0.63 |
CC(=O)OCC(=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-044-649-711 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-006-111-348 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-450 |
0.63 |
C[C@H]1[C@H](CO)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]12)C(O)=O
|
|
| MolPort-044-559-975 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(O)C(O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-003-848-014 |
0.63 |
[2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-004-956-486 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-029-996-101 |
0.63 |
COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-035-706-389 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-510-419 |
0.63 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-046-596-245 |
0.63 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-741-220 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-726-918 |
0.63 |
C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-006-069-150 |
0.63 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-521-548 |
0.63 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-002-506-984 |
0.63 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-046-596-253 |
0.63 |
CC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-029-996-102 |
0.63 |
COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-035-706-386 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-519-875 |
0.63 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-044-649-748 |
0.63 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-039-141-967 |
0.62 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
|
|
| MolPort-000-731-137 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
|
|
| MolPort-002-527-926 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O
|
|
| MolPort-046-596-369 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O
|
|
| MolPort-046-761-511 |
0.62 |
CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-039-338-274 |
0.62 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2C(CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
|
|
| MolPort-006-112-040 |
0.62 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-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-046-426-235 |
0.62 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-762-563 |
0.62 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-002-911-070 |
0.62 |
CC1C(OC2CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C12)C1CCC(C)CO1
|
|
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0.62 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-512-273 |
0.62 |
COC(=O)CC1(C)OC2CCCCC2C2=CCCCC12
|
|
| MolPort-046-762-523 |
0.62 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-035-706-216 |
0.62 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-046-765-240 |
0.62 |
CCCCCCCC\C=C\CCCCCCCC(=O)OCCO
|
|
| 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
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|
| MolPort-000-735-591 |
0.62 |
[Cl-].CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(=O)[C@H]([NH3+])CCC(O)=O
|
|
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0.62 |
Cl.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)COC(=O)[C@@H](N)CCC(O)=O
|
|
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0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
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0.62 |
[NH4+].[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12)C([2H])([2H])[2H]
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0.62 |
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
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|
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0.62 |
N.CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
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|
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0.62 |
CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
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0.62 |
[NH4+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@H]([O-])CC(O)=O)[C@H]12
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0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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0.62 |
[NH4+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
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| MolPort-046-420-032 |
0.62 |
O=C1CCC2COCCC2=C1
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|
| MolPort-027-708-013 |
0.62 |
CC(C)COC1CC(OC(=O)C2CCC=CC2)C1(C)C
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|
| MolPort-046-697-348 |
0.62 |
COC1C(CC=C(C)C)C(C)(O)C2(CO2)CCC(=O)C1=O
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|
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0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
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|
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0.62 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
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0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
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0.62 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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CC1CCC2(C)C(C)=CCCC2(C)C1OC=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]3(C)CCC3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
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C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
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0.62 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
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COC(=O)C1CCC=CC1
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](OC(C)=O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
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|
| MCULE-5419231657 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2C)C(C)C
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| MCULE-3449163128 |
0.62 |
C(CC)(C(=O)OCC)(C(=O)OCC)CCCCCCCCC=CCCCCCCCC
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| MCULE-8309792579 |
0.62 |
C12C(C)OCC(CO)(CC=C1C)C2
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0.62 |
[C@]12(CO)COC(C(C(C)=CC1C)[C@H]2C)CCCC
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|
| MCULE-3321159180 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2C)CCCCCC
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|
| MCULE-2260551226 |
0.62 |
C1(C(OC)=O)CC(C)=C(CC1C(OC)=O)C
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|
| MCULE-2488392484 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H]
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|
| MCULE-9801896855 |
0.62 |
O=C(C12COCC1C2)C1OCCCC=1
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|
| MCULE-7163303661 |
0.62 |
CC1(C2C3CC(CC3)C2)OCC(=O)C1
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|
| MCULE-6190365385 |
0.62 |
C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
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| MCULE-1347044938 |
0.62 |
O=C1CC(C2C3CC(CC3)C2)OC1
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|
| MCULE-8942435129 |
0.62 |
CC1(C=O)OC(C2CC3C(C3)CC2)CC1
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|
| MCULE-3655330509 |
0.62 |
OC(C(O)=O)CC1C2C=CC(CC2)C1
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|
| MCULE-4567583389 |
0.62 |
O=C(C1OCCC1)CC1CC2C(C2)CC1
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|
| MCULE-4320729921 |
0.62 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
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|
| MCULE-2514680995 |
0.62 |
O=C1CC2(CCC3(CCCC3)CC2)OC1
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|
| MCULE-9126653492 |
0.62 |
O=C1CC2(C3(CCCCC3)CCC2)OC1
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|
| MCULE-8132515149 |
0.62 |
O=C1CC2(C3(CCCC3)CCCC2)OC1
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|
| MCULE-6702841332 |
0.62 |
O=C1CC2(C3CC(CC3)C2)OC1
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|
| MCULE-4116245492 |
0.62 |
O=C(C1OCCC1)C1CC(=O)CC1
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|
| MCULE-8442177926 |
0.62 |
O=CC1OC(C2CC3C(C3)CC2)CC1
|
|
| MCULE-6259484078 |
0.62 |
CCOC1CCC2(OC(C=O)CC2)CC1
|
|
| MCULE-5522120199 |
0.62 |
C1(O)(CC2C=CC(O2)C1)CC(O)=O
|
|
| MCULE-7010357679 |
0.62 |
C12(C)CCC3(CC1=CCC1C2CCC2(C1CCC2=O)C)OCCO3
|
|
| MCULE-4359391178 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-7140625389 |
0.62 |
C1(O)(CC2C=CC(O2)C1)C(C)C(O)=O
|
|
| MCULE-2726162135 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CCC2C(C)=O
|
|
| MCULE-8234847813 |
0.62 |
[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-3370774493 |
0.62 |
C12C3C4C5C6C3(C(OC)=O)C3(C(O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-9207728452 |
0.62 |
CC1(C2CCC3(C4(C)C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CC(=O)C3C2(C)CCC1OC(CCC(=O)O)=O)C)C
|
|
| MCULE-8304268118 |
0.62 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-2234048518 |
0.62 |
CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-4849477341 |
0.62 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-9921246997 |
0.62 |
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-3792827064 |
0.62 |
C12C=CCC1C1CC2C(OCCOC2CC3CC2C2C=CCC23)C1
|
|
| MCULE-3783503991 |
0.62 |
C(CCCC=CC)(=O)C(OCC)OCC
|
|
| MCULE-2022303549 |
0.62 |
C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-9430504051 |
0.62 |
C123CCC=CCCC1(C(C(=O)C2C(OC)=O)C(OC)=O)C(C(=O)C3C(OC)=O)C(OC)=O
|
|
| MCULE-7720595428 |
0.62 |
C1[C@@]2(O)C=C[C@]3([C@]4([H])[C@@]5(C[C@]5([H])C(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC[C@@H]1O)[H])[H]
|
|
| MCULE-4461071719 |
0.62 |
OC1(C2CCOCC2)C2C=CC(C2)C1
|
|
| MCULE-1183659798 |
0.62 |
[C@]12(C)C(=O)C=C3[C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)C1C[C@]1([H])O[C@]3(CC[C@H](CO3)C)[C@@H](C)[C@]21[H]
|
|
| MCULE-9101975825 |
0.62 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-4763981533 |
0.62 |
CC(=O)O[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(C)=C3)[H])([H])CC1)C(=O)C
|
|
| MCULE-1917377062 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C)C(OC)=O)C4(C)CC=3)=CCC2(O)C1
|
|
| MCULE-9350418837 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@](C(=O)C)(OC(=O)C)CC[C@@]4([H])[C@]3([H])C=C(C)C2=CC1=O
|
|
| MCULE-5039022522 |
0.62 |
C12(C)CCC3C(C=CC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(C)=O
|
|
| MCULE-8974355339 |
0.62 |
C12=CC(CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@]3(CC1)C)CC2=C)[H])=O
|
|
| MCULE-5182543895 |
0.62 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-7583895634 |
0.62 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)=O
|
|
| MCULE-8861434212 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(C=CC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-8277570953 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-9843298388 |
0.62 |
C(CCCCCCCC=CCCCCCCCC)(OCC(CO)O)=O
|
|
| MCULE-5714384003 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2C(C)=C1
|
|
| MCULE-4520397060 |
0.62 |
C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])C[C@@H](OC)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
|
|
| MCULE-1170362647 |
0.62 |
O=C(OCC1C(C)CC=CC1)C(OCC1CC=CCC1C)=O
|
|
| MCULE-2241145060 |
0.62 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-8698149631 |
0.62 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)OC(CC)=O
|
|
| MCULE-4480469003 |
0.62 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CC)CC1=CC2)[H]
|
|
| MCULE-1853650577 |
0.62 |
C12(C)CC[C@@]3(C(CC=C4C[C@@]([H])(CCC34C)OC(C(C)C)=O)[C@@]1([H])CCC2C(C)CCCC(C)C)[H]
|
|
| MCULE-8187072901 |
0.62 |
C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
|
|
| MCULE-9846233643 |
0.62 |
C(CCCCC/C=C\CCCCCCCC)CC(OCC(CO)O)=O
|
|
| MCULE-1753087854 |
0.62 |
C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
|
|
| MCULE-4325006445 |
0.62 |
[C@@H]1(O)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
|
|
| MCULE-7758976267 |
0.62 |
OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
|
|
| MCULE-7570417588 |
0.62 |
C12(OC1C1OC(C(O)(C)C)CC1(O)CC2=O)C/C=C(\C)/C
|
|
| MCULE-3755877935 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8232106197 |
0.62 |
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O
|
|
| MCULE-7942598042 |
0.62 |
CC1[C@@H]2C[C@@H]3[C@@]4(C)[C@@]([C@H]([C@H]([C@@H]([C@@H]4[C@@]2(C)[C@H](O)C(=O)C=1)O)O)C)(O)[C@@H](O)C(=O)O3
|
|
| MCULE-9211922250 |
0.62 |
C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
|
|
| MCULE-8303728984 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8753646114 |
0.62 |
[C@@]12(O)CC[C@H]([C@](O)(C)[C@H](O)C[C@H]3[C@H](C)C(=O)O[C@@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-8723675857 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-3172312748 |
0.62 |
C1C2(CCC2(CC=C1)C(OC)=O)C(OC)=O
|
|
| MCULE-6409888378 |
0.62 |
C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
|
|
| MCULE-3459401523 |
0.62 |
OC1C(CC2CC=CCC2)COCC1
|
|
| MCULE-3171114249 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3C(=CC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-8194301577 |
0.62 |
O[C@H]1[C@H](O[C@H]2[C@@](CO)(C)[C@]3([C@]([C@@]4([C@](CC3)(C)[C@]3(C([C@]5([C@]([C@@H](C3)O)(CO)[C@H](O)[C@@H](O)C(C)(C)C5)[H])=CC4)C)[H])(C)CC2)[H])O[C@H](C(=O)O)[C@@H](O)[C@@H]1O
|
|
| MCULE-6751502597 |
0.62 |
[H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
|
|
| MCULE-6301076627 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
|
|
| MCULE-8155210029 |
0.62 |
C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
|
|
| MCULE-9439877737 |
0.62 |
O1[C@H](C)[C@@H](C[C@@H](O)[C@](O)([C@@H]2[C@@]3(C)CC[C@]4([H])[C@]5(C)[C@]([H])(C(=O)C=C4[C@]3(O)CC2)C[C@@H](O)[C@@H](O)C5)C)[C@H](C)C1=O
|
|
| MCULE-5685325143 |
0.62 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-7633761938 |
0.62 |
C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
|
|
| MCULE-3800481886 |
0.62 |
C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-4075826174 |
0.62 |
C12(COC3(OC1)CCCC3)C(C)CC(=CC2C)C
|
|
| MCULE-8588952182 |
0.62 |
O1C2CCC=CCCC=CCCC12
|
|
| MCULE-6436563816 |
0.62 |
C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
|
|
| MCULE-3716742475 |
0.62 |
[C@@H]1(C[C@@]2(C3CC[C@@]4([C@H](CC[C@]4(C3=CC([C@]2([H])C[C@H]1O)=O)O)[C@@]([C@H](O)C[C@@H]1[C@@H](C)OC(=O)[C@H]1C)(C)O)C)C)O
|
|
| MCULE-9340600776 |
0.62 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-9071849084 |
0.62 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
|
|
| MCULE-8621711737 |
0.62 |
C12([H])CCC=CCCC1(C2C(OC)=O)[H]
|
|
| MCULE-3280168913 |
0.62 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-8198401941 |
0.62 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
|
|
| MCULE-4687597526 |
0.62 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]4(C)[C@@]([H])(C(C)=O)CC[C@]4(O)C3CC=C2C[C@H]1O
|
|
| MCULE-6411139095 |
0.62 |
C1C(=C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-9191884874 |
0.62 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-5021218903 |
0.62 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3632084054 |
0.62 |
C123CCC(=O)C1C1C(=O)CCC1(O2)C=C3
|
|
| MCULE-9558386116 |
0.62 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5585134478 |
0.62 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCC=CCC=CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-3490442378 |
0.62 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-5331897390 |
0.62 |
C12(C)CC=C3C4(C)CCC(O)CC4CCC3C1CC1OC(C3OCC(C)CC3)C(C)C21
|
|
| MCULE-7665525246 |
0.62 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-4894965151 |
0.62 |
[H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1CC2
|
|
| MCULE-8969661886 |
0.62 |
O=CC1(OC2CCCC2)CCCCC1
|
|
| MCULE-3491501398 |
0.62 |
Cl.[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(=O)COC([C@@]([H])(N)CCC(O)=O)=O)[H]
|
|
| MCULE-6054641378 |
0.62 |
[Cl-].C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(=O)[C@@]([H])(CCC(O)=O)[NH3+]
|
|
| MCULE-4106244241 |
0.62 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC
|
|
| MCULE-4855627697 |
0.62 |
NC1C(CC(C2OCCCC=2)=O)CCC1
|
|
| MCULE-8583685611 |
0.62 |
C1[C@H](OC(C(CC)C)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O)=CC1
|
|
| MCULE-2992568144 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-3608909089 |
0.62 |
O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@@H]12
|
|
| MCULE-2834626034 |
0.62 |
N[C@H]1[C@H](CC(C2OCCCC=2)=O)CCC1
|
|
| MCULE-6510947957 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CN)=O)[H]
|
|
| MCULE-7414282746 |
0.62 |
C(=O)(C(C)CC)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12
|
|
| MCULE-9618013702 |
0.62 |
O=C1C=C2C(COCC2)CC1
|
|
| MCULE-7903674091 |
0.62 |
CC(COC1C(C)(C)C(OC(C2CC=CCC2)=O)C1)C
|
|
| MCULE-2780089397 |
0.62 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-3810560225 |
0.62 |
C12C(CCC(F)C=1)CC(C(OC)=O)C2
|
|
| MCULE-6296063373 |
0.62 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
|
|
| MCULE-3530343693 |
0.62 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21
|
|
| MCULE-6908487190 |
0.62 |
OC1(C(C/C=C(\C)/C)C(C(C(CCC21CO2)=O)=O)OC)C
|
|
| MCULE-3367377749 |
0.62 |
O=C1CCC2(C)C3CCC4(C5(OCCO5)CCC4C3CC=C2C1(C)C)C
|
|
| MCULE-4325412913 |
0.62 |
OC1C(CCC2CCCCC=2)COC1
|
|
| MCULE-8446911928 |
0.62 |
CC1C(C)C(CC/C=C(\C)/C)(O)CO1
|
|
| MCULE-6934635209 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C
|
|
| MCULE-4690967590 |
0.62 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
|
|
| MCULE-7010605333 |
0.62 |
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-5765265358 |
0.62 |
CC1C(C(CC2CC=CC2)=O)CCOC1
|
|
| MCULE-8789756191 |
0.62 |
C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
|
|
| MCULE-1993565165 |
0.62 |
C1(/CCC(C/1)C(OC)=O)=C(/C)\C
|
|
| MCULE-8922781922 |
0.62 |
OC(C1OCCC1)CC1CC=CCC1
|
|
| MCULE-4176831119 |
0.62 |
C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
|
|
| MCULE-2445591436 |
0.62 |
C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
|
|
| MCULE-2726581544 |
0.62 |
C(OCC1CC=CCC1C)(C)=O
|
|
| MCULE-4280394560 |
0.62 |
C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
|
|
| MCULE-3731139584 |
0.62 |
[C@@H]1(OC(=O)C)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
|
|
| MCULE-6390957697 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-7040093693 |
0.62 |
C1CC2(C)C3C=C(C)C4(C)C(=O)C(O)(C)C(=O)C4(C(OC)=O)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-8386752633 |
0.62 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-2897450703 |
0.62 |
C1(C(C)(C)CO)OCC2(CC1C(C)=CC2)CO
|
|
| MCULE-4776199100 |
0.62 |
C1(C)C(C(C)CC(C)=C1)C1OCC(CO1)(C)C
|
|
| MCULE-2661732195 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2C)CCC
|
|
| MCULE-6114441516 |
0.62 |
COC1C(C(C2CCCCCC=2)=O)C1
|
|
| MCULE-6070697606 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2C)CCCCC
|
|
| MCULE-4079492365 |
0.62 |
C12(CO)COCC(C(C)=CC1C)C2C
|
|
| MCULE-4627016962 |
0.62 |
C1(C)C(C(C)CC(C)=C1)C1OCC(CO1)C
|
|
| MCULE-8351989618 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2C)C
|
|
| MCULE-2093490960 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-7144382664 |
0.62 |
[C@H]12C(C)OC[C@](CO)(CC=C1C)C2
|
|
| MolPort-042-675-260 |
0.62 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(O)C(C)(C)C3CCC21C
|
|
| MolPort-023-331-412 |
0.62 |
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@@H](O)C=C2C1
|
|
| MolPort-002-509-853 |
0.62 |
CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-131-802 |
0.62 |
CC1=CCC2(CO)COC(C1C2)C(C)(C)CO
|
|
| MolPort-002-509-925 |
0.62 |
CC1OC[C@]2(CO)CC=C(C)[C@H]1C2
|
|
| MolPort-044-721-480 |
0.62 |
CC1OCC2(CO)CC=C(C)C1C2
|
|
| MolPort-001-937-581 |
0.62 |
CCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-046-067-708 |
0.62 |
CC(C)C1OCC2(CO)C(C)C=C(C)C1[C@H]2C
|
|
| MolPort-002-509-147 |
0.62 |
CCCCC1OC[C@@]2(CO)C(C)C=C(C)C1[C@H]2C
|
|
| MolPort-002-511-638 |
0.62 |
CCCCCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
|
|
| MolPort-007-560-884 |
0.62 |
CC1CC(C)=CC(C)C1C1OCC(C)(C)CO1
|
|
| MolPort-002-511-650 |
0.62 |
CC1OC[C@@]2(CO)C[C@@H]1C(C)=CC2C
|
|
| MolPort-002-520-650 |
0.62 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-002-511-537 |
0.62 |
CC1C=C(C)[C@@H]2COC[C@@]1(CO)C2C
|
|
| MolPort-002-509-363 |
0.62 |
CC1=CC[C@]2(CO)COC([C@H]1C2)C(C)(C)CO
|
|
| MolPort-002-855-106 |
0.62 |
COC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)OC
|
|
| MolPort-002-855-142 |
0.62 |
COC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)OC
|
|
| MolPort-002-511-500 |
0.62 |
CCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
|
|
| MolPort-002-506-965 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-000-743-884 |
0.62 |
CC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-001-937-580 |
0.62 |
CCCC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-045-901-798 |
0.62 |
CC1OCC2(CO)CC1C(C)=CC2C
|
|
| MolPort-001-937-577 |
0.62 |
CCCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-002-530-021 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-002-512-157 |
0.62 |
CC1OC[C@]2(CO)C(C)C=C(C)[C@@H]1C2C
|
|
| MolPort-044-722-443 |
0.62 |
CC(C)C1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-001-840-675 |
0.62 |
CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
|
|
| MolPort-045-902-993 |
0.62 |
CC1C=C(C)C2COCC1(CO)C2C
|
|
| MolPort-001-942-603 |
0.62 |
CC1COC(OC1)C1C(C)CC(C)=CC1C
|
|
| MolPort-046-596-271 |
0.62 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-511-690 |
0.62 |
CCCCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
|
|
| MolPort-046-067-721 |
0.62 |
CC1OCC2(CO)C(C)C=C(C)C1[C@@H]2C
|
|
| MolPort-039-052-437 |
0.62 |
CC1[C@H]2C[C@]3([C@@H](CC2)[C@@]2(COC3=O)[C@H](C=O)C(C)(C)C=CC2=O)C1=O
|
|
| MolPort-044-637-536 |
0.62 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-044-727-594 |
0.62 |
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-035-706-428 |
0.62 |
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
|
|
| MolPort-039-338-736 |
0.62 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-044-637-461 |
0.62 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
|
|
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0.62 |
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-044-637-537 |
0.62 |
CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
|
|
| MolPort-044-723-335 |
0.62 |
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-039-339-207 |
0.62 |
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-002-510-060 |
0.62 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
|
|
| MolPort-002-529-799 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O
|
|
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0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-002-794-180 |
0.62 |
C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CCC2=O
|
|
| MolPort-044-875-291 |
0.62 |
C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O
|
|
| MolPort-002-509-633 |
0.62 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-044-755-229 |
0.62 |
CC(=O)O[C@H]1CCC2[C@H]3CC[C@]4(C)C(=O)CCC4=C3C[C@@H](O)[C@]2(C)C1
|
|
| MolPort-002-511-271 |
0.62 |
CC(=O)C1CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
|
|
| MolPort-044-637-449 |
0.62 |
COC(=O)CC1C(=CC2CC(C)(C)CC12C(=O)CO)C(O)=O
|
|
| MolPort-002-139-577 |
0.62 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-000-692-426 |
0.62 |
CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2=O
|
|
| MolPort-046-766-234 |
0.62 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
|
|
| MolPort-002-511-069 |
0.62 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
|
|
| MolPort-039-139-179 |
0.62 |
CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
|
|
| MolPort-046-508-487 |
0.62 |
COCC1(CCC=CC1)C(O)=O
|
|
| MolPort-002-801-701 |
0.62 |
COC(=O)C1C(=O)C(C(=O)OC)C23CC\C=C/CCC12C(C(=O)OC)C(=O)C3C(=O)OC
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|
| MolPort-006-391-847 |
0.62 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
|
|
| MolPort-035-924-387 |
0.62 |
CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
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|
| MolPort-006-069-316 |
0.62 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
|
|
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0.62 |
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O
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| MolPort-006-131-539 |
0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
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0.62 |
CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
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0.62 |
[2H]C([2H])([2H])C1=C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-030-042-316 |
0.62 |
CC(=O)OC1(CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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|
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0.62 |
CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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0.62 |
CC(=O)OCC(=O)[C@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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|
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0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-005-971-778 |
0.62 |
CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-153-149 |
0.62 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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|
| MolPort-003-666-225 |
0.62 |
CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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|
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0.62 |
CC1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O
|
|
| MolPort-002-526-685 |
0.62 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC(=O)[C@]23C)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-006-394-861 |
0.62 |
CC(=O)O[C@@]1(CCC2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-000-835-138 |
0.62 |
CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-690-477 |
0.62 |
C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O
|
|
| MolPort-002-507-159 |
0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-764-699 |
0.62 |
C[C@H]1C[C@@H](O)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
|
|
| MolPort-019-937-337 |
0.62 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)C(=O)C=C(C)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
|
|
| MolPort-000-295-000 |
0.62 |
CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-003-987-065 |
0.62 |
CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-682-738 |
0.62 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
|
| MolPort-002-510-337 |
0.62 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-035-705-935 |
0.62 |
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
|
|
| MolPort-003-855-481 |
0.62 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC
|
|
| MolPort-046-697-431 |
0.62 |
CC(C)=CCC12OC1C1OC(CC1(O)CC2=O)C(C)(C)O
|
|
| MolPort-002-510-720 |
0.62 |
CCC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-039-338-908 |
0.62 |
CO[C@@H]1C[C@H]2C(C)=C(OC)C(=O)[C@H]3[C@@]2(C)[C@@H](C[C@H]2[C@H](C)C=C(OC)C(=O)[C@]32C)O1
|
|
| MolPort-003-849-693 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
|
|
| MolPort-035-706-335 |
0.62 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-044-755-257 |
0.62 |
CC(=O)O[C@H]1CCC2[C@H]3CCC4=C(CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]2(C)C1)C(C)=O
|
|
| MolPort-042-620-829 |
0.62 |
CC(C)(C)OC(=O)C1(CCC=CC1)C(O)=O
|
|
| MolPort-039-052-556 |
0.62 |
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
|
|
| MolPort-002-826-614 |
0.62 |
CC(C)CCCC(C)C1CC[C@@H]2C3CC=C4C[C@@H](CCC4(C)[C@@H]3CCC12C)OC(=O)C(C)C
|
|
| MolPort-044-649-600 |
0.62 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-594-086 |
0.61 |
CC1(C)CC[C@@]2([C@H](O)C[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-046-793-021 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3[C@@H](O)C=C2C1
|
|
| MolPort-006-129-942 |
0.61 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-039-242-365 |
0.61 |
OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
|
|
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0.61 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
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0.61 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-019-937-248 |
0.61 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@@]34C)C(O)=O)C2C1)C(O)=O
|
|
| MolPort-039-338-094 |
0.61 |
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C[C@@H](O)[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
|
|
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0.61 |
C[C@H]1[C@@H](C[C@H](O)[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]12)C(O)=O
|
|
| MolPort-039-338-358 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
|
|
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0.61 |
C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
|
|
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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
|
|
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0.61 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
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|
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0.61 |
C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
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|
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0.61 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
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|
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OC(=O)C1CC2CCC1C=C2
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|
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0.61 |
Cl.C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CN
|
|
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0.61 |
[Na+].[2H]C([2H])([2H])C(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-027-720-856 |
0.61 |
C[C@H]1OC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-689-701 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@@H]3O[C@]23[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-027-849-684 |
0.61 |
COC(=O)C1C[C@@]2(C)C(CC[C@]2(OC(C)=O)C(=O)COC(C)=O)C2CCC3=CC(=O)C=C[C@]3(C)C12
|
|
| MolPort-005-940-683 |
0.61 |
C[C@]12C[C@@H](O)C3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-027-720-550 |
0.61 |
C[C@]12C[C@@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-690-532 |
0.61 |
[Na+].CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-530-543 |
0.61 |
COC(=O)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@H]12
|
|
| MolPort-003-848-427 |
0.61 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-035-394-990 |
0.61 |
CC12CC(O)C3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
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|
| MolPort-046-196-931 |
0.61 |
[Na+].CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC([O-])=O)C12
|
|
| MolPort-046-690-963 |
0.61 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC)[C@@H]12
|
|
| MolPort-044-755-199 |
0.61 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-044-561-576 |
0.61 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CC)C(O)=O
|
|
| MolPort-046-688-689 |
0.61 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-044-722-902 |
0.61 |
CC1=C(CCC2(C)OCCCO2)C(C)(C)CCC1
|
|
| MolPort-008-268-236 |
0.61 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
|
|
| MolPort-046-703-230 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC21OCCO1
|
|
| MolPort-044-755-195 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=C2C1
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|
| MolPort-005-945-241 |
0.61 |
COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
|
|
| MolPort-000-692-442 |
0.61 |
COC(=O)C1C2C=CC(C3C=CC23)C1C(=O)OC
|
|
| MolPort-035-706-317 |
0.61 |
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-001-740-745 |
0.61 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-044-195-722 |
0.61 |
O=C1CCCC11CCCCO1
|
|
| MolPort-045-968-015 |
0.61 |
CC1CCCC(C)(CCC=C(C)C)O1
|
|
| MolPort-046-793-051 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-757-138 |
0.61 |
OC(=O)C1[C@H]2C[C@H](C=C2)C1C(=O)OCC#C
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|
| MolPort-039-338-445 |
0.61 |
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-001-510-492 |
0.61 |
OC(=O)C1C2CC(C=C2)C1C(=O)OCC#C
|
|
| MolPort-002-512-707 |
0.61 |
C[C@]12CCC3C(C=CC4=CC(O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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|
| MolPort-002-550-337 |
0.61 |
OC(=O)C1C2CC(C=C2)[C@@H]1C(=O)OCC#C
|
|
| MolPort-046-765-391 |
0.61 |
C[C@]12C[C@H]3O[C@]33[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
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|
| MolPort-044-755-202 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)CC=CC[C@]34C)[C@@H]1CCC2=O
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|
| MolPort-001-741-330 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
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|
| MolPort-020-005-924 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)C2[C@H]1C)C(O)=O
|
|
| MolPort-019-937-060 |
0.61 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)=C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
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|
| MolPort-006-393-951 |
0.61 |
[K+].COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]2(O)CCC([O-])=O)[C@H]13
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|
| MolPort-035-706-350 |
0.61 |
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CC[C@@H](O2)C(C)(C)O)[C@@]1(C)CCC(O)=O
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|
| MolPort-039-052-476 |
0.61 |
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O
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|
| MolPort-027-640-564 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-035-706-352 |
0.61 |
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CC[C@H](O2)C(C)(C)O)[C@@]1(C)CCC(O)=O
|
|
| MolPort-002-800-510 |
0.61 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
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|
| MolPort-028-744-491 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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|
| MolPort-046-761-814 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
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|
| MolPort-044-193-687 |
0.61 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
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|
| MCULE-1339344349 |
0.61 |
C1(C)(C(O)CC(=O)OC)C2CC(=C)C3(C)C(=O)C(C)OC(=O)C3C2(C)C(OC(=O)C)CC1C(O)(C)C
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|
| MCULE-2143241951 |
0.61 |
C12C(=O)CCC=1C1C3C4C5C(C(OC)=O)(C1(C(OC)=O)C4C1C(=O)CCC5=1)C23
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|
| MCULE-5176587980 |
0.61 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-2871410677 |
0.61 |
C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O)OC(C)=O
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|
| MCULE-5067610229 |
0.61 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-5581720234 |
0.61 |
C12CCC(=O)C=1C1C3C4C5C(C(OC)=O)(C1(C(OC)=O)C4C1C(=O)CCC5=1)C23
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| MCULE-5472477242 |
0.61 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
|
|
| MCULE-4023009546 |
0.61 |
C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
|
|
| MCULE-2374686913 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
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|
| MCULE-5624348400 |
0.61 |
C1(C(=O)O)CC2C=CC1CC2
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|
| MCULE-8428849081 |
0.61 |
C/C(/C)=C/CCC1(CC(C)(C)OC1)O
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|
| MCULE-8509022096 |
0.61 |
[C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
|
|
| MCULE-3996210032 |
0.61 |
CC1OCC(CC/C=C(\C)/C)(O)C1
|
|
| MCULE-9935430898 |
0.61 |
C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
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|
| MCULE-5120528205 |
0.61 |
C/C(/C)=C/C(CC1OCCC1)(O)C
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|
| MCULE-8752174219 |
0.61 |
CCOC1CCC(=CC(O)C)CC1
|
|
| MCULE-3959902732 |
0.61 |
OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-4961090641 |
0.61 |
CC(C=C(CC1COCC1)C)O
|
|
| MCULE-8546117938 |
0.61 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC.[Na+]
|
|
| MCULE-9744281698 |
0.61 |
[C@@]12(O)CC[C@H]([C@](O)(C)C[C@@H](O)[C@@]3([H])[C@@H](C)OC(=O)[C@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-6211596290 |
0.61 |
[C@]12(C)C[C@H](C(OC)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
|
|
| MCULE-6974616654 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CN)=O)[H].Cl
|
|
| MCULE-4800012179 |
0.61 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-7361055399 |
0.61 |
CC12C3C(O)CC4(C)C5(OC(=O)CC5)CCC4C3C=CC1=CC(=O)CC2
|
|
| MCULE-7139024966 |
0.61 |
[Na+].O=C(C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@@H](C[C@@H]2OC(=O)C(CC)(C)C)C)C=C[C@@H]1C)O)O)[O-]
|
|
| MCULE-6026825668 |
0.61 |
C1(CCC2(C)OCCCO2)C(C)(C)CCCC=1C
|
|
| MCULE-3230992952 |
0.61 |
C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
|
|
| MCULE-8186617947 |
0.61 |
C1=CC2C3C=C(C)C3C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-4207554768 |
0.61 |
C12C=CC(C(C(OC)=O)C1C(OC)=O)C1C=CC21
|
|
| MCULE-9031983714 |
0.61 |
C1=CC2C3C(C)=C(C)C3C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-2895344878 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
|
|
| MCULE-4876696376 |
0.61 |
CCC1C2(OC(C=O)CC2)CCCCC1
|
|
| MCULE-6979364753 |
0.61 |
CC1C2(OC(C=O)(C)CC2)CCCCC1
|
|
| MCULE-5285511098 |
0.61 |
CC1C2(OC(C=O)CC2)CCCCC1
|
|
| MCULE-2546809155 |
0.61 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
|
|
| MCULE-5225374056 |
0.61 |
CC(C(CC1C2C=CC(CC2)C1)=O)O
|
|
| MCULE-8878336671 |
0.61 |
C12([H])CC(=O)C3([H])C(OC4OCCCC4)CC([H])(C=C1)C23[H]
|
|
| MCULE-9975535341 |
0.61 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-8080732496 |
0.61 |
C1C2OC(C(=O)CCC2)C1
|
|
| MCULE-2735934269 |
0.61 |
OC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-7295433126 |
0.61 |
O1C(C)CCCC1(C)CC/C=C(\C)/C
|
|
| MCULE-1874239104 |
0.61 |
C1=C[C@@]2([C@]3(CC[C@]4([C@@]([H])(C[C@H](C)[C@]4(O)C(=O)COC(=O)C)[C@]3([H])CCC2=CC1=O)C)[H])C
|
|
| MCULE-3552862554 |
0.61 |
C12CC(C(C(O)=O)C1C(OCC#C)=O)C=C2
|
|
| MCULE-6459621832 |
0.61 |
[C@]12(C)C[C@H](O)[C@@]3([H])[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-7604220648 |
0.61 |
O1C23C4(C5(C6(CCC15C=C2)C=CC4(CC3)O6)C(OC)=O)C(OC)=O
|
|
| MCULE-5455459863 |
0.61 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2=C(C)C1
|
|
| MCULE-3416394321 |
0.61 |
OC1C=C(CCC2OCCCC2)CC1
|
|
| MCULE-2867849826 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)(C)C
|
|
| MCULE-1245334026 |
0.61 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@@]4(CCC(=O)O4)C)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C)[H]
|
|
| MCULE-4522488137 |
0.61 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-3885425015 |
0.61 |
[C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
|
|
| MCULE-7890675494 |
0.61 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
|
|
| MCULE-6585485753 |
0.61 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
|
|
| MCULE-2721005128 |
0.61 |
C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
|
|
| MCULE-4103920893 |
0.61 |
C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C
|
|
| MCULE-9704673171 |
0.61 |
C12(COC(OC1)CC(C)C)C(C)CC(=CC2C)C
|
|
| MCULE-5849522780 |
0.61 |
C1(OC(C)CC(C)(C)O1)C1C(C)CC(=CC1C)C
|
|
| MCULE-1715793851 |
0.61 |
C12(COC(OC1)CCCCC)C(C)CC(=CC2C)C
|
|
| MCULE-3004326680 |
0.61 |
C12(COC(OC1)CCCCCC)C(C)CC(=CC2C)C
|
|
| MCULE-2479108951 |
0.61 |
C1(OCCC(C)O1)C1C(C)CC(=CC1C)C
|
|
| MCULE-5181637958 |
0.61 |
C12(COC(OC1)CCC)C(C)CC(=CC2C)C
|
|
| MCULE-6019192503 |
0.61 |
C12(CC3C(C=CC3)C1)OCC(CO2)(C)C
|
|
| MCULE-5621761126 |
0.61 |
[C@H]1(CC=CC[C@H]1C(OCC)=O)C(OCC)=O
|
|
| MCULE-1081447415 |
0.61 |
O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
|
|
| MCULE-4125707015 |
0.61 |
C1C[C@]2(O[C@@H]2C[C@@]2(C(C)C)O[C@](C)(CC2)[C@@H](O)CCC(C)=C1)C
|
|
| MCULE-5601347225 |
0.61 |
C1(OCCC(C)(C)O1)C1C(C)CC(=CC1C)C
|
|
| MCULE-2191404438 |
0.61 |
CC1C(C2OCC3(C(C)C=C(C)CC3C)CO2)C(C)C=C(C)C1
|
|
| MCULE-1191180792 |
0.61 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
|
|
| MCULE-1594866763 |
0.61 |
[C@@H]12OC1(C)CC(=O)/C(=C(/C)\C)/C[C@@H]1O[C@]1(C)CC2
|
|
| MCULE-7068002290 |
0.61 |
C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O
|
|
| MCULE-1665605717 |
0.61 |
[Na+].[Na+].CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-1889700737 |
0.61 |
[Na+].CC12CCC3([H])C(C(OC(=O)CCC([O-])=O)CCC3(C)C1([H])C(C=C1C3([H])CC(C)(C(O)=O)CCC3(C)CCC21C)=O)(C)C
|
|
| MCULE-6921575032 |
0.61 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O
|
|
| MCULE-9715251524 |
0.61 |
C1(CC2CCC1(OC)C=C2)C(OC)=O
|
|
| MCULE-7135107425 |
0.61 |
[Na+].[Na+].[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-2597929771 |
0.61 |
O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)C(C)=O
|
|
| MCULE-1093359827 |
0.61 |
[C@@]12(C(C)=O)OC(O[C@@H]1CC1C3C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)(C)C
|
|
| MCULE-6037100028 |
0.61 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
|
|
| MCULE-9889691050 |
0.61 |
FC1(C2C1CC(C(C1OCCC=1)=O)C2)F
|
|
| MCULE-6481401182 |
0.61 |
[C@]12(C)CCC3C(CC(C4=CC(=O)CC[C@@]43C)=C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-5332478343 |
0.61 |
C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
|
|
| MCULE-4777670330 |
0.61 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-1871322968 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H]1OC(=O)[C@@](C)(OC(C)=O)[C@H]21)[H]
|
|
| MCULE-7854744392 |
0.61 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-2319475587 |
0.61 |
C1C[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@]5(CCC(=O)O5)CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC2=CC1=O
|
|
| MCULE-4306149194 |
0.61 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-5064546197 |
0.61 |
[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-6497106589 |
0.61 |
CC1(OC(C=O)(C)CC1)CC1OCCC1
|
|
| MCULE-8352828854 |
0.61 |
CC(C1C(=O)COC1C)C=C
|
|
| MCULE-6728895797 |
0.61 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-7805854550 |
0.61 |
O=C1C(C)(C)C2(CCC3(C)C4(C)CCC5(C)CCC(C(C)C)C5(C4(CCC3C2(C)C2C1O2)[H])[H])[H]
|
|
| MCULE-6914882012 |
0.61 |
O=C1CC(C2CC3C(C3)C2)OC1
|
|
| MCULE-3629918410 |
0.61 |
O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
|
|
| MCULE-7829183730 |
0.61 |
O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-9474095410 |
0.61 |
[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-2615091969 |
0.61 |
O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-9672606479 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
|
|
| MCULE-2785747895 |
0.61 |
O=C1C2C(C3(C)C4CCC5(C)CCCC5C4CCC3(C1)[H])O2
|
|
| MCULE-2538866374 |
0.61 |
C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
|
|
| MCULE-1308336736 |
0.61 |
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-4269813571 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-5277306782 |
0.61 |
O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
|
|
| MCULE-6068702710 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC32C1O3)=O
|
|
| MCULE-8045386580 |
0.61 |
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-6217200752 |
0.61 |
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-6888052424 |
0.61 |
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-8836215555 |
0.61 |
O=C1CCC2(C)C3CCC4(C)CCCC4C3CCC32C1O3
|
|
| MCULE-3185019013 |
0.61 |
CC1(OC(C=O)CC1)CC1OCCC1
|
|
| MCULE-6367656540 |
0.61 |
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-7088367969 |
0.61 |
[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-9526433855 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-6457837154 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC32C1O3
|
|
| MCULE-7198781147 |
0.61 |
[C@@H]12[C@@]3(C)C(CC(=O)[C@@H]1O2)CCC1C3CC[C@]2(C1CCC2=O)C
|
|
| MCULE-1547137893 |
0.61 |
C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
|
|
| MCULE-4006235073 |
0.61 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-6001157821 |
0.61 |
C(=O)(C1CCCO1)C1CCCCC1=O
|
|
| MCULE-7491068561 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
|
|
| MCULE-2847349308 |
0.61 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
|
|
| MCULE-9335086572 |
0.61 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-1763722164 |
0.61 |
O=C1CC2(C3C(C3)CC2)OC1
|
|
| MCULE-8293299602 |
0.61 |
O=C1CC2(CC3CC(CC3)C2)OC1
|
|
| MCULE-5111117747 |
0.61 |
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-3143886740 |
0.61 |
C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-6089018925 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
|
|
| MCULE-9005119173 |
0.61 |
C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1
|
|
| MCULE-3213163274 |
0.61 |
COC1C(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-2014910866 |
0.61 |
CC(C(C12COCC1C2)=O)=C
|
|
| MCULE-3213917419 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1)(CC1C3(C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC23)O1)[H]
|
|
| MCULE-1067345384 |
0.61 |
[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-4559063392 |
0.61 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C
|
|
| MCULE-6862787283 |
0.61 |
O=C(C(C1CCC=C1)C(OCC)=O)OCC
|
|
| MCULE-1885429632 |
0.61 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-1546412853 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC1CCCCO1
|
|
| MCULE-3565112538 |
0.61 |
C1(C(OCC)=O)(C(OCC)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-6763677636 |
0.61 |
C12(CC1C1CC(C1(F)F)(F)F)C1C=CC2C2C1C(=O)OC2=O
|
|
| MCULE-5275306349 |
0.61 |
C12CC(C(C(=O)OCC3CCCO3)C1C(O)=O)C=C2
|
|
| MCULE-1906795397 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O
|
|
| MCULE-3192041589 |
0.61 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MolPort-046-765-480 |
0.61 |
CCCC1OC2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)C2(O1)C(=O)CO
|
|
| MolPort-046-763-146 |
0.61 |
CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-046-067-667 |
0.61 |
CC(C)[C@H]1OC[C@@]2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-046-627-211 |
0.61 |
CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](O)CC\C(C)=C\CC[C@@]1(C)O[C@@H]1C2
|
|
| MolPort-000-725-486 |
0.61 |
CCCCCCC1OCC2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-046-068-847 |
0.61 |
CC(C)C[C@H]1OC[C@@]2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-023-223-808 |
0.61 |
CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCC
|
|
| MolPort-001-781-534 |
0.61 |
CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCC
|
|
| MolPort-046-067-656 |
0.61 |
CC[C@H]1OC[C@@]2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-028-934-373 |
0.61 |
CC1(C)COC2(CC3CC=CC3C2)OC1
|
|
| MolPort-001-942-606 |
0.61 |
CC1CC(C)=CC(C)C1C1OCCC(C)(C)O1
|
|
| MolPort-001-942-575 |
0.61 |
CCCC1OCC2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-001-942-605 |
0.61 |
CC1CC(C)(C)OC(O1)C1C(C)CC(C)=CC1C
|
|
| MolPort-046-068-834 |
0.61 |
CCC[C@H]1OC[C@@]2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-002-510-353 |
0.61 |
CCCCC1OCC2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-002-539-467 |
0.61 |
CC1=CCC2(CC1)COC1(CCCCC1)OC2
|
|
| MolPort-007-552-826 |
0.61 |
CC(C)CC1OCC2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-002-559-758 |
0.61 |
CC1CC(C)=CC(C)C1C1OCC2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-046-765-475 |
0.61 |
C[C@]12C[C@H](O)[C@H]3C([C@@H]1CC[C@]2(O)C(=O)CO)[C@H](O)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-002-512-036 |
0.61 |
CC1CC(C)(C)OC(O1)C1(C)CCC(C)=CC1C
|
|
| MolPort-002-509-375 |
0.61 |
CCCCCC1OCC2(CO1)C(C)CC(C)=CC2C
|
|
| MolPort-005-933-646 |
0.61 |
[Na+].[Na+].CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-006-106-573 |
0.61 |
[Na+].[Na+].CC1(C)[C@H](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)OC(=O)CCC([O-])=O
|
|
| MolPort-044-755-247 |
0.61 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-039-052-478 |
0.61 |
CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)CC1=O
|
|
| MolPort-046-761-598 |
0.61 |
[Na+].[Na+].CC1(C)[C@H](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)OC(=O)CCC([O-])=O
|
|
| MolPort-002-510-818 |
0.61 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-137-931 |
0.61 |
CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
|
|
| MolPort-023-277-853 |
0.61 |
CC1=CC2C(CC1)C(=O)OC2=O
|
|
| MolPort-027-564-867 |
0.61 |
[2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CCC(O)=O)[C@@H]12
|
|
| MolPort-046-597-642 |
0.61 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC(=O)[C@@](C)(OC(C)=O)C45)C3CC=C2C1
|
|
| MolPort-035-394-839 |
0.61 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-006-393-950 |
0.61 |
[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-046-793-025 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(O)=O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-006-167-612 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-002-528-151 |
0.61 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5OC(=O)[C@@](C)(OC(C)=O)[C@H]45)[C@@H]3CC=C2C1
|
|
| MolPort-003-986-216 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
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|
| MolPort-046-762-588 |
0.61 |
CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@@H]3CCC4=CC(=O)C=CC4C3=CC[C@]12C
|
|
| MolPort-042-683-898 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
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| MolPort-035-706-406 |
0.61 |
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
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|
| MolPort-002-911-249 |
0.61 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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|
| MolPort-001-740-468 |
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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
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|
| MolPort-003-801-567 |
0.61 |
C[C@]12CCC3C(CCC4CC(=O)[C@@H]5O[C@@H]5[C@]34C)C1CCC2=O
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0.61 |
CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
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0.61 |
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
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|
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0.61 |
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
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|
| MolPort-001-740-060 |
0.61 |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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|
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C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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0.61 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
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[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
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0.61 |
CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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| MolPort-046-762-480 |
0.61 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-046-764-596 |
0.61 |
CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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0.61 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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|
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C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
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|
| MolPort-002-525-706 |
0.61 |
CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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| MolPort-044-650-173 |
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CCCCCCCCCCCCCC\C=C\CCCC(=O)OC
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| MolPort-002-525-209 |
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C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
| MolPort-002-525-147 |
0.61 |
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
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|
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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
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|
| MolPort-046-419-080 |
0.61 |
C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-003-929-763 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
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0.61 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
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0.61 |
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-002-524-169 |
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C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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|
| MolPort-002-507-280 |
0.61 |
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
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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
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|
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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
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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
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|
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CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6OC(C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)[C@](C)(CO)C5CC[C@@]4(C)C3(C)CC[C@@]2(C)[C@H](OC2OCC(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)[C@@H]1O
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|
| MolPort-021-804-631 |
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CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
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|
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C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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|
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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
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|
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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
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|
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0.61 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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0.61 |
CC1(C)C[C@H]2C3=CCC4[C@@]5(C)CC[C@H](OC6O[C@@H]([C@@H](O)[C@H](O)[C@H]6OC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O
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CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
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CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
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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
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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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
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|
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
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|
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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
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C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
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|
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CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
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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
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|
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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
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|
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|
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C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]31C)C(=C)C2
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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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|
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CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
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|
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CC(C)(C)OC(=O)C(N)CC1CCC=CC1
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|
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CCOC(=O)C1(CCC=CC1)C(=O)OCC
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|
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCC(CC(O)=O)OC
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|
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OC(=O)C1C2CC(C=C2)C1C(=O)OCC1CCCO1
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|
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|
|
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0.61 |
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
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|
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CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(=O)C[C@]12C
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FC1(F)CC(C2CC22C3C=CC2C2C3C(=O)OC2=O)C1(F)F
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|
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CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
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|
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CCOC(=O)C1(CC(C)=C(C)CC1C(=O)OC(C)(C)C)C(=O)OCC
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CCOC(=O)C1(CC(C)=C(C)CC1C(O)=O)C(=O)OCC
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|
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CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C
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|
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC3CCCCO3)[C@@H]1CCC2=O
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COC1CC(=O)C=C2CC[C@H]3[C@H]4CC[C@@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]3[C@@]12C
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|
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CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
|
|
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0.60 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
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COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
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CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C
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|
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CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
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|
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CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
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OC(=O)[C@H]1C[C@H]2C[C@@H]1C=C2
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|
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0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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|
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
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CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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|
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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|
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
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0.60 |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
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0.60 |
OC(=O)[C@H]1C[C@@H]2C[C@H]1C=C2
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| MolPort-039-338-840 |
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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
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CC(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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| MolPort-000-653-714 |
0.60 |
OC(=O)C1CC2CC1C=C2
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CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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0.60 |
CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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OC(=O)C1C[C@H]2C[C@@H]1C=C2
|
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CC1(CC2CC1C=C2)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
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CC(=O)OC[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
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CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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0.60 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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CC1(C[C@@H]2C[C@H]1C=C2)C(O)=O
|
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0.60 |
OC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
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0.60 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
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0.60 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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0.60 |
O[H]C1[C@@H](O)CO[C@@H]1[C@H](O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)CC[C@]34C)[C@@H]1CC[C@]21CCC(O)O1
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0.60 |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
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O=C1C2COCC1C=CC2
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C/CCCC(O)=O
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0.60 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C\CCCC(O)=O
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
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COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
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0.60 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C3[C@@H]5C[C@](C)(CO)C[C@@H](O)[C@]5(C)CC[C@@]43C)C2(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC\C=C/C[C@H]12
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0.60 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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0.60 |
CC(CC(OC(C)=O)C1OC1(C)C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1
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0.60 |
CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
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C[C@H](CC(OC(C)=O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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0.60 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
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CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
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CC1(C)C=CC(=O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](CC[C@@H]31)C(=C)C2=O
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0.60 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
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CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
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C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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0.60 |
CCOC1(C)OCC(=O)[C@]2(CCC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC23C)O1
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)CO[C@H]2O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H]2CC[C@@]3(CO)C(CC[C@]4(C)C3CC=C3C5CC(C)(C)C[C@@H](O)[C@]5(C)CC[C@@]43C)C2(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O
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0.60 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
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0.60 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
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0.60 |
CC(C1CCC2C3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C)C(O)=O
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CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
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0.60 |
CC(=O)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C)C(=O)CC12C
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0.60 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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0.60 |
CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C
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|
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CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12
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|
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0.60 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
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0.60 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
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0.60 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
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CC(C)COC1C(CCC(O)=O)CCCC1=O
|
|
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0.60 |
C1CCC2(C1)OC1CCCCC1C1=CCCCC21
|
|
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OC(=O)C1CC2CC=CC(C2)C1
|
|
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0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
|
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0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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|
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0.60 |
CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)C(O)C(O)C6(C)CCC54C)C3(C)C)OC(C(O)C2OC2OCC(O)(CO)C2O)C(O)=O)C(O)C(O)C1O
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0.60 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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0.60 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC21CCCC1
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|
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0.60 |
CC1CC(C)=CC(C)C1C1OC[C@@]2(CO1)COC(OC2)C1C(C)CC(C)=CC1C
|
|
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0.60 |
C[C@@H]1CCC[C@@]2(C)C[C@@H]3OC(=O)C(=C)[C@@H]3C=C12
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|
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0.60 |
CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)=C1
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0.60 |
COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H](CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O)C(C)=C
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CC1OC(=O)C(C)C1C[C@@H](OC(C)=O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)C[C@]12C)C(O)=O
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|
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CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
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|
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0.60 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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|
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0.60 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
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|
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C1CCC2(C1)O[C@@H]1CCCCC1C1=CCCCC21
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C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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|
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CCOC(=O)[C@H](C)CC(=O)CC(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
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CCC(=O)OC[C@@]12COC(C)[C@@H](C1)C(C)=CC2C
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|
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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
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C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
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CC1CCC[C@]2(C)CC3OC(=O)C(=C)C3C=C12
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COC(=O)CC1(C)OC[C@]2(CCC(C)=CC2)CO1
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|
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0.60 |
C1CCC2(C1)OC1CCCC[C@@H]1C1=CCCCC21
|
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CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO
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CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
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0.60 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
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0.60 |
[C@@]12(CCC(=O)O1)CC[C@@]1([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C
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0.60 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
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0.60 |
[C@]12(C)CCC(C=C1C=C[C@@]1([H])[C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)CC[C@@]12[H])[H])=O
|
|
| MCULE-9530980879 |
0.60 |
C1C[C@]2(C)[C@]3([H])[C@@H](O)CC4=C([C@@H](C[C@H](OC(C)=O)[C@H]5OC5(C)C)C)CC[C@]4(C)[C@@]3(C)CC[C@@]2([H])C(C)(C)C1=O
|
|
| MCULE-8058775334 |
0.60 |
C12(C)CCC(C=C1C=CC1([H])C3(C(C)(C4(CC3)CCC(=O)O4)CCC12[H])[H])=O
|
|
| MCULE-1459395786 |
0.60 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-8750855908 |
0.60 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-7818387200 |
0.60 |
C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O
|
|
| MCULE-7883521772 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC12C(=O)COC(C)(OCC)O1
|
|
| MCULE-6201505694 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@@]12C(=O)COC(C)(OCC)O1
|
|
| MCULE-6778353117 |
0.60 |
C1C[C@]2(C)C3CC=C4[C@]5([H])C[C@](C)(CO)C[C@@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1
|
|
| MCULE-1104455109 |
0.60 |
C1(C)(C(C)CCC2(C)C(=CCCC21)C)CC1CC(CCC1OC(C)=O)OC(C)=O
|
|
| MCULE-9326674646 |
0.60 |
CC1(CC2(OCC(=O)C2)CC1)C
|
|
| MCULE-4601889192 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)OC(C)=O
|
|
| MCULE-9414881889 |
0.60 |
CC1CC2(OCC(=O)C2)CCC1
|
|
| MCULE-6663644592 |
0.60 |
CC1CC2(OCC(=O)C2)CC1
|
|
| MCULE-5384515579 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=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-4087973137 |
0.60 |
O=C(C1COCC1)CC1CC=CC1
|
|
| MCULE-6486166670 |
0.60 |
CCCC1CCC2(OCC(=O)C2)CC1
|
|
| MCULE-2923380359 |
0.60 |
CC1(CC(C)(C)CC2(OCC(=O)C2)C1)C
|
|
| MCULE-5025931577 |
0.60 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
|
|
| MCULE-1064318097 |
0.60 |
CC1(C2OCC(=O)C2)CCCCC1
|
|
| MCULE-9296762536 |
0.60 |
CC1(C2CCCCC2)OCC(=O)C1
|
|
| MCULE-9618750591 |
0.60 |
CC1(C2(OCC(=O)C2)CCC1)C
|
|
| MCULE-8828258539 |
0.60 |
CC1C(CC2C3CC(CC3)C2)C(=O)CO1
|
|
| MCULE-7923923635 |
0.60 |
CC(C1C2(OCC(=O)C2)CCCC1)C
|
|
| MCULE-5721951936 |
0.60 |
CCC1(C2CCCC2)OCC(=O)C1
|
|
| MCULE-6983514520 |
0.60 |
O=C1CC(CC2CCCCC2)OC1
|
|
| MCULE-9107310489 |
0.60 |
OC(C1(CCOCC1)CC1CC=CC1)=O
|
|
| MCULE-7286844147 |
0.60 |
CCC1C(C2OCC(=O)C2)CCCC1
|
|
| MCULE-5113003290 |
0.60 |
OC(C1CC2CC(CC=C2)C1)=O
|
|
| MCULE-2408167900 |
0.60 |
CC1(OCC(=O)C1)CC1CCCC1
|
|
| MCULE-4344701620 |
0.60 |
O=C1CC(CCC2CCCCC2)OC1
|
|
| MCULE-7536268908 |
0.60 |
C12(COC(CC)=O)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-7147126046 |
0.60 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
|
|
| MCULE-5360398133 |
0.60 |
CC1(C2OCC(=O)C2)CCCC1
|
|
| MCULE-6309054443 |
0.60 |
C1=CC2C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-8299495299 |
0.60 |
O=C1CC2(C3(CCCC3)CCC2)OC1
|
|
| MCULE-7361919999 |
0.60 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-5706873224 |
0.60 |
CC1CCC2(OCC(=O)C2)CC1
|
|
| MCULE-4504483614 |
0.60 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
|
| MCULE-6491920067 |
0.60 |
CCC1CC2(OCC(=O)C2)CC1
|
|
| MCULE-4757768221 |
0.60 |
C(C(=O)OC)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
|
|
| MCULE-1868424196 |
0.60 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MCULE-3109876930 |
0.60 |
CC1C2(OCC(=O)C2)CC(C)(C)C1
|
|
| MCULE-6335557300 |
0.60 |
CC(C1CCC2(OCC(=O)C2)CC1)C
|
|
| MCULE-6896318747 |
0.60 |
CC1C(C)CC2(OCC(=O)C2)CC1
|
|
| MCULE-7278886286 |
0.60 |
CC1CC2(OCC(=O)C2)CC(C)C1
|
|
| MCULE-8294241968 |
0.60 |
CC1CC(C)(C)CC2(OCC(=O)C2)C1
|
|
| MCULE-7113815720 |
0.60 |
CC(C1CCC2(OCC(=O)C2)CC1)(C)C
|
|
| MCULE-1714041310 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(=O)COC(CBr)=O)[H]
|
|
| MCULE-2915968891 |
0.60 |
CC1CC2(OCC(=O)C2)C(C)CC1
|
|
| MCULE-3409793906 |
0.60 |
CC1(CC2(OCC(=O)C2)CCC1)C
|
|
| MCULE-4713972573 |
0.60 |
CC1(OCC(=O)C1)CC1CCCCC1
|
|
| MCULE-9030489717 |
0.60 |
CCC1C2(OCC(=O)C2)CCCC1
|
|
| MCULE-5327458615 |
0.60 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
|
|
| MCULE-9279659250 |
0.60 |
CC1(C2(OCC(=O)C2)CCCC1)C
|
|
| MCULE-2472883269 |
0.60 |
OC(C12COCC1C2)C1CCCC=1
|
|
| MCULE-4858444006 |
0.60 |
CC1(C2C3CCC(CC3)C2)OCC(=O)C1
|
|
| MCULE-3002100585 |
0.60 |
CC1C2(OCC(=O)C2)CCC1
|
|
| MCULE-6954913115 |
0.60 |
CC(C1C2(OCC(=O)C2)CCCC1)(C)C
|
|
| MCULE-7666782270 |
0.60 |
CC1C(C)C2(OCC(=O)C2)CCC1
|
|
| MCULE-8671876949 |
0.60 |
C12CC(C3C(=O)C(O)C13)C=C2
|
|
| MCULE-6886856355 |
0.60 |
CC(C1CCCCC1)C1OCC(=O)C1
|
|
| MCULE-2552921566 |
0.60 |
CC1CC(C)C2(OCC(=O)C2)CC1
|
|
| MCULE-1697791569 |
0.60 |
[C@]123O[C@@H]4CC[C@@]1(C)[C@](C4)([H])CC[C@@]2([H])[C@]1([C@@](C)([C@H](CC1)[C@H](C)C(O)=O)CC3=O)[H]
|
|
| MCULE-5162561663 |
0.60 |
C12=CC(=O)[C@]3([C@](C)(CC([C@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](OC(C)=O)CC1C(C)OC(=O)C1C)[H]
|
|
| MCULE-4365964405 |
0.60 |
C123OC4CCC1(C)C(C4)([H])CCC2C1C(C)(C(CC1)C(C)C(O)=O)CC3=O
|
|
| MCULE-9684195251 |
0.60 |
O=C1CC(C2C3CCC(CC3)C2)OC1
|
|
| MCULE-7580845431 |
0.60 |
[C@]123O[C@@H]4CC[C@@]1(C)[C@](C4)([H])CCC2C1[C@@](C)(C(CC1)C(C)C(O)=O)CC3=O
|
|
| MCULE-2901288503 |
0.60 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-1283574747 |
0.60 |
C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
|
|
| MCULE-5747552471 |
0.60 |
CC(C1C2(OCC(=O)C2)CC(C)CC1)C
|
|
| MCULE-9607964267 |
0.60 |
O=C(C1OCCCC1)CC1CC2C(C2)C1
|
|
| MCULE-3620253238 |
0.60 |
CCC1CC2(OCC(=O)C2)CCC1
|
|
| MCULE-9982220154 |
0.60 |
CC(C1CC2(OCC(=O)C2)CCC1)C
|
|
| MCULE-6569795323 |
0.60 |
COCC(=O)CC/C(/C)=C(\C)/C
|
|
| MCULE-3632970812 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-7247579172 |
0.60 |
O=C(C1OCCCC1)C1CC(=O)CCC1
|
|
| MCULE-8694554660 |
0.60 |
C1CC2(C)C3CC=C4C5CC(C)(C)C(O)C(O)C5(C)CCC4(C)C3(C)CCC2C(C)(C)C1OC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)(CO)CO2)C(O)C(C(=O)O)O1
|
|
| MCULE-9384620047 |
0.60 |
O=C1CC(C2CCCC2)OC1
|
|
| MCULE-4543542636 |
0.60 |
CC1C(C2C3CC(CC3)C2)C(=O)CO1
|
|
| MCULE-2410490080 |
0.60 |
CCC1CCC2(OCC(=O)C2)CC1
|
|
| MCULE-5040101309 |
0.60 |
CC1C(C(CC2CC=CC2)=O)CCO1
|
|
| MCULE-8918435387 |
0.60 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(O)=O)=O
|
|
| MCULE-1161969714 |
0.60 |
O=C1C(C2C3CC(CC3)C2)COC1
|
|
| MCULE-6545509308 |
0.60 |
CCC1C2(OCC(=O)C2)CCC1
|
|
| MCULE-5066919092 |
0.60 |
CC1(C(C(CC2CC=CC2)=O)CCO1)C
|
|
| MCULE-9847169592 |
0.60 |
CC(CC1CC2(OCC(=O)C2)CCC1)C
|
|
| MCULE-4232886949 |
0.60 |
CC1(C2CCCC2)OCC(=O)C1
|
|
| MCULE-8056155072 |
0.60 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
|
|
| MCULE-1691349217 |
0.60 |
O=C1CC2CCC1(OC)C=C2
|
|
| MCULE-3664047551 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-5982312960 |
0.60 |
CC1CCC(C2OCC(=O)C2)CC1
|
|
| MCULE-7620345198 |
0.60 |
CC(C1CCC(C2OCC(=O)C2)CC1)C
|
|
| MCULE-8296033831 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(C(CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O)[H]
|
|
| MCULE-9418927387 |
0.60 |
CC1CC(C2OCC(=O)C2)CCC1
|
|
| MCULE-6305055655 |
0.60 |
CC1C2(OCC(=O)C2)CCC(C)(C)C1
|
|
| MCULE-6622354875 |
0.60 |
O=C1C2(C(C)(C3(C)C2(C)O3)C(C)=C1C)C
|
|
| MCULE-4988391633 |
0.60 |
O=C1CC2(C3CCC(CC3)C2)OC1
|
|
| MCULE-6155542193 |
0.60 |
CCCC1(C2CCCC2)OCC(=O)C1
|
|
| MCULE-8629297693 |
0.60 |
C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
|
|
| MCULE-4241049780 |
0.60 |
CC1(CCC(C2OCC(=O)C2)CC1)C
|
|
| MCULE-6629155299 |
0.60 |
CC1(CCC2(OCC(=O)C2)CC1)C
|
|
| MCULE-2644108928 |
0.60 |
C(CCC(=CCCC(C)=C)C)(OCC)=O
|
|
| MCULE-2151239915 |
0.60 |
C1CC2(C3C(=CCCC3)C3C(CCCC3)O2)CC1
|
|
| MCULE-2691107149 |
0.60 |
C1(C(CCCC1=O)CCC(O)=O)OCC(C)C
|
|
| MCULE-3745769783 |
0.60 |
O=CC1OC2(CC3CC(CC3)C2)CCC1
|
|
| MCULE-3211776199 |
0.60 |
O1C2CCCC31C(CC1(C)C(CCC1C(C)C(O)=O)C3CCC(C)(C2)[H])=O
|
|
| MCULE-9462321600 |
0.60 |
CC1OCC(C(CC2CC=CC2)=O)C1
|
|
| MCULE-6442792605 |
0.60 |
O=C1CC(CC2CCCC2)OC1
|
|
| MCULE-6697936504 |
0.60 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-2363917035 |
0.60 |
O=CC1OC(C2CC3C(C3)C2)CCC1
|
|
| MCULE-9214392143 |
0.60 |
CC1C(C2OCC(=O)C2)CCCC1
|
|
| MCULE-9341616847 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-4696424304 |
0.60 |
O=C1C(CC2C3CC(CC3)C2)COC1
|
|
| MCULE-8142938010 |
0.60 |
CCC1CC(C2OCC(=O)C2)CCC1
|
|
| MCULE-7462445595 |
0.60 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-1981205050 |
0.60 |
CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1
|
|
| MCULE-6774088355 |
0.60 |
O=C(C1=CC=CC=C1)COC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-9042657322 |
0.60 |
[C@H]1(C(O)=O)O[C@@H](OC2C(C)(CO)C3CC[C@@]4(C)[C@]5(C)CC[C@@]6(C)[C@@H](O)CC(C)(C)C[C@]6([H])C5=CCC4[C@@]3(C)CC2)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)C2)[C@@H](O)[C@H]1O
|
|
| MCULE-8030869035 |
0.60 |
CC1(C)CC2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(OC6OC(C(O)=O)C(O)C(O)C6O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-2041000423 |
0.60 |
[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1(C)C[C@@H](/C/3=C(/CC/C=C(/C)\C)\C(O)=O)OC(C)=O)[C@@]1(C)C=CC([C@@H](C)[C@@]1([C@H](OC(C)=O)C2=O)[H])=O
|
|
| MCULE-8429357063 |
0.60 |
C1(C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=CCC[C@H](OC([C@@H](C)CC)=O)[C@@]32[H])O1)=O
|
|
| MCULE-7655940373 |
0.60 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-8390617062 |
0.60 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-1131719628 |
0.60 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC=C2C(=O)COC(C)=O)[H]
|
|
| MCULE-1891722858 |
0.60 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-4275218537 |
0.60 |
[C@@]12(C(CC=O)=O)OC(O[C@@H]1C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O)[H])(C)C
|
|
| MCULE-6997832079 |
0.60 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-8726454334 |
0.60 |
[C@@]12(C)[C@@H](O)CC=C(C)[C@@]1([H])[C@H]1[C@H](C(C(=O)O1)=C)[C@H](O)C2
|
|
| MCULE-4325649241 |
0.60 |
C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-6997843796 |
0.60 |
N[C@H]1[C@@H](C(C2OCCCC=2)=O)CCC1
|
|
| MCULE-7087866108 |
0.60 |
C1[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)=C[C@@H]1C
|
|
| MCULE-4740518260 |
0.60 |
C12=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-6419704114 |
0.60 |
CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
|
|
| MCULE-1204198061 |
0.60 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-5661885893 |
0.60 |
CC[C@@H](C(=O)O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)=CCC1)C
|
|
| MCULE-3431366783 |
0.60 |
C1=C(C)C2OC1C(O)(CC(C)CC(=O)O)C2O
|
|
| MCULE-8000069514 |
0.60 |
[C@@]12([H])CC=C3C[C@@H](OCCN(CC)CC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O
|
|
| MCULE-2779552409 |
0.60 |
C1(C2(C)C(CC(OC(C)=O)C3(C4C(=O)OC(C)C(=O)C4(C)C(=C)CC23)C)C(OC(C1)=O)(C)C)O
|
|
| MCULE-6561939625 |
0.60 |
C1CC(C)C(O)(C2(C)CC(O)C(=O)C(C)(C)OC21)CCC1C2(C(OC(C)(C)C(OC(=O)C)CC2)CCC1=C)C
|
|
| MCULE-6786480650 |
0.60 |
O=C1C2CC=C3CC4(CCC3(C)C2C(O)CC1)OCCO4
|
|
| MCULE-7508700654 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(OO)C(C)=O
|
|
| MCULE-6168081491 |
0.60 |
OC(C1(C2CCCCC=2)COCC1)=O
|
|
| MCULE-9241147162 |
0.60 |
C12C3C(C)(CCC(C)(C(=O)OCC4CCCO4)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-5437278714 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(OC)=O)C#C
|
|
| MCULE-6932270028 |
0.60 |
O1C(C)=C(C)CCC1(C)C(C)=O
|
|
| MCULE-3323781979 |
0.60 |
C12CC(C3(C)CC(CCC3=C1CCC1(C)CCCC21)OC(=O)C)OC(=O)C
|
|
| MCULE-1470098948 |
0.60 |
O1C(C)=C(C)CC[C@@]1(C)C(C)=O
|
|
| MCULE-6114828313 |
0.60 |
OC1C(C2(C(O)=O)CC=CC2)COC1
|
|
| MCULE-9352894910 |
0.60 |
C12CC(C3(C)CC(CCC3=C1CCC1(C)C(CCC21)C(C)CCCC(C)C)O)OC(=O)C
|
|
| MCULE-7605717253 |
0.60 |
C1CC2(C)C(CC(CC2OC(CC(C)CC)=O)C(C(=O)O)=C)C(C1)=C
|
|
| MCULE-3633249572 |
0.60 |
C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
|
|
| MCULE-1531956184 |
0.60 |
C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-8259872102 |
0.60 |
C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-3141539281 |
0.60 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-2671029853 |
0.60 |
[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
|
|
| MCULE-4275950574 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
|
|
| MCULE-4801332089 |
0.60 |
C12(CCC(C(=C)C1(C)C)C2)C(OC)=O
|
|
| MCULE-3614931522 |
0.60 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
|
|
| MCULE-2299251979 |
0.60 |
C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
|
|
| MCULE-1591105974 |
0.60 |
C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
|
|
| MCULE-5059257985 |
0.60 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)CC=2
|
|
| MCULE-8083797224 |
0.60 |
C/C(/C)=C/CCC1(COCC1)O
|
|
| MCULE-2693571114 |
0.60 |
C(OCC)(=O)C1CCC(CC1)=C
|
|
| MCULE-9917637884 |
0.60 |
[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
|
|
| MCULE-5390747778 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-1067283755 |
0.60 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-1602610126 |
0.60 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
|
|
| MCULE-2313378449 |
0.60 |
C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-1780641937 |
0.60 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-2675118265 |
0.60 |
C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
|
|
| MCULE-8774616932 |
0.60 |
C1C[C@]2(C)C3CC=C4[C@]5([H])C[C@@](C(O)=O)(C)C[C@@H](O)[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1
|
|
| MCULE-7899954864 |
0.60 |
C1CC2(C=O)C3CC=C4C5CC(CO)(C)CC(O)C5(C)CCC4(C)C3(C)CCC2C(C)(C)C1OC1C(OC2C(O)C(O)C(O)C(C(=O)O)O2)C(O)C(O)C(C(=O)O)O1
|
|
| MCULE-1935435552 |
0.60 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
|
|
| MCULE-2313890542 |
0.60 |
[C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-4871716191 |
0.60 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
|
|
| MCULE-6851729977 |
0.60 |
O=CC1(OC2CCCCC2)CCCCC1
|
|
| MCULE-8651982947 |
0.60 |
C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-2570487264 |
0.60 |
OC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-2212790664 |
0.60 |
OC1C(CC2CC=CCC2)COC1
|
|
| MCULE-1389326170 |
0.60 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
|
|
| MCULE-4431659207 |
0.60 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
|
|
| MCULE-2506870963 |
0.60 |
C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
|
|
| MCULE-6837878494 |
0.60 |
C12C(C(=C)C)CCC1(COC(=O)C)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)=O
|
|
| MCULE-5897136444 |
0.60 |
[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
|
|
| MCULE-3023348221 |
0.60 |
C1(C)(CC2CC1C=C2)C(O)=O
|
|
| MCULE-9693195749 |
0.60 |
[C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
|
|
| MCULE-7184031760 |
0.60 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(O)(C)C)CC[C@]21C)O)(C)C
|
|
| MCULE-5183068201 |
0.60 |
C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
|
|
| MCULE-5436553655 |
0.60 |
[C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
|
|
| MCULE-9482794587 |
0.60 |
CC1OC(C)C(CC/C=C(\C)/C)(O)C1
|
|
| MCULE-5686534690 |
0.60 |
C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
|
|
| MCULE-6147550234 |
0.60 |
[C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
|
|
| MCULE-5677861178 |
0.60 |
[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
|
|
| MCULE-5774214368 |
0.60 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-4737898468 |
0.60 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MCULE-7925068743 |
0.60 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
|
|
| MCULE-7221814357 |
0.60 |
O=C(C1CCOCC1)CC1CC=CC1
|
|
| MCULE-1218384038 |
0.60 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
|
|
| MCULE-6522980956 |
0.60 |
C/C(/C)=C/CCC1(C(C)(C)COC1)O
|
|
| MCULE-1857694923 |
0.60 |
[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
|
|
| MCULE-7626806338 |
0.60 |
C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-8877595522 |
0.60 |
[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-9765892541 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-1974040943 |
0.60 |
C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-6885806662 |
0.60 |
CC1C(CC/C=C(\C)/C)(O)COC1
|
|
| MCULE-2400907851 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-1153477483 |
0.60 |
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-3473010637 |
0.60 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
|
|
| MCULE-4970766691 |
0.60 |
C12C=CCC1C1C(OCC=C)CC2C1
|
|
| 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-2519092915 |
0.60 |
C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
|
|
| 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-6898850815 |
0.60 |
COC1C(C(C2CCCC=2)=O)C1
|
|
| MCULE-2276317128 |
0.60 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-4320007788 |
0.60 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-3583239018 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
|
|
| MCULE-7236722260 |
0.60 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-7919520627 |
0.60 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC=C
|
|
| MCULE-3981843538 |
0.60 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-7037894510 |
0.60 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-7490760496 |
0.60 |
O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CCCCCCCCC=C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1
|
|
| MCULE-3491107929 |
0.60 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(OC(C)=O)C1OC1(C)C
|
|
