| MolPort-035-683-171 |
0.96 |
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-039-052-417 |
0.96 |
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-035-683-186 |
0.96 |
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
|
|
| MCULE-5998876996 |
0.96 |
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-2403352810 |
0.96 |
C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-2054566768 |
0.96 |
[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
|
|
| MolPort-001-742-502 |
0.94 |
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
|
|
| MolPort-046-592-361 |
0.94 |
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-044-649-784 |
0.94 |
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-044-649-712 |
0.94 |
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
|
|
| MCULE-1480805765 |
0.94 |
CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-1988011337 |
0.94 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
|
|
| MCULE-5029800865 |
0.94 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
|
|
| MCULE-8247739375 |
0.94 |
C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
|
|
| MCULE-1316925332 |
0.94 |
CC(OC(C1C2C=CC(CC2)C1)=O)C
|
|
| MCULE-9697672273 |
0.94 |
CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
|
|
| MCULE-3460278496 |
0.94 |
C12CCC(C=C1)CC2C(OCC)=O
|
|
| MCULE-8772466243 |
0.93 |
C1CC23CCOC(=O)C2(CCCC3)CC=1
|
|
| MCULE-8638278493 |
0.93 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
|
|
| MCULE-9975844805 |
0.93 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
|
|
| MolPort-044-559-905 |
0.92 |
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-002-841-866 |
0.92 |
CC(=O)OC1CCC2C3C=CC4C(C)(C)C(=O)CCC4(C)C3CCC12C
|
|
| MCULE-9611860953 |
0.92 |
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-2039968402 |
0.92 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
|
|
| MCULE-9723128082 |
0.91 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MCULE-1470831787 |
0.91 |
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
|
|
| MCULE-8924549531 |
0.91 |
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 |
0.91 |
[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
|
|
| MolPort-019-937-545 |
0.91 |
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
|
|
| MolPort-044-649-707 |
0.91 |
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
|
|
| MolPort-044-649-591 |
0.91 |
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
|
|
| MolPort-044-562-376 |
0.91 |
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-006-069-345 |
0.91 |
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-039-339-016 |
0.90 |
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-044-637-463 |
0.90 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-035-706-385 |
0.90 |
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-9253743476 |
0.90 |
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-5485844450 |
0.90 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MolPort-027-835-567 |
0.89 |
O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C=C1
|
|
| MolPort-001-764-908 |
0.89 |
O=C1OC(=O)C2C1C1CCC2C=C1
|
|
| MolPort-000-734-484 |
0.89 |
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C1C3C(=O)OC1=O
|
|
| MolPort-035-769-790 |
0.89 |
O=C1OC(=O)C2C1[C@H]1CC[C@@H]2C=C1
|
|
| MolPort-002-516-481 |
0.89 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)OC1=O
|
|
| MolPort-044-649-785 |
0.89 |
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-027-853-592 |
0.89 |
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
|
|
| MCULE-1087443932 |
0.89 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-9103372368 |
0.89 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-8776636782 |
0.89 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-5454494701 |
0.89 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-8868589151 |
0.89 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-2122490766 |
0.89 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-1252077735 |
0.89 |
C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-5053755296 |
0.89 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| MCULE-6020138869 |
0.89 |
C1C2CC(CC2C(=O)OC(C)(C)C)C=1
|
|
| MCULE-4463064740 |
0.89 |
C(OCC)(C1CC2CC1C=C2)=O
|
|
| MCULE-2766753223 |
0.89 |
C(=O)(OC(C)C)C1CC2CC1C=C2
|
|
| MCULE-3362275267 |
0.89 |
C1CC=CC2C(C(OCC)=O)C2CC1
|
|
| MolPort-002-508-454 |
0.89 |
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-001-793-877 |
0.89 |
CCOC(=O)C1CC2CC1C=C2
|
|
| MolPort-005-938-238 |
0.89 |
CC(C)(C)OC(=O)C1CC2CC1C=C2
|
|
| MolPort-008-346-698 |
0.88 |
CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
|
|
| MCULE-8982382729 |
0.88 |
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-6259050360 |
0.88 |
[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-4992964291 |
0.88 |
C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
|
|
| MCULE-5641241273 |
0.88 |
O=C1C2C3C=CC(CCCC3)C2C(=O)O1
|
|
| MCULE-1124925533 |
0.88 |
C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-5491138764 |
0.88 |
C1(=O)C2C(C)C=C(CC2C(=O)O1)C
|
|
| MCULE-5800803041 |
0.88 |
C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
|
|
| MCULE-1244370752 |
0.88 |
C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-8016431488 |
0.88 |
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-6412555386 |
0.88 |
[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
|
|
| MolPort-002-507-055 |
0.88 |
CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-000-797-000 |
0.88 |
CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
|
|
| MolPort-000-829-812 |
0.88 |
CC1C=C(C)CC2C1C(=O)OC2=O
|
|
| MolPort-020-005-756 |
0.88 |
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-035-706-526 |
0.88 |
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
|
|
| MCULE-6809736977 |
0.87 |
COC(C1C2C=CC(CC2)C1)=O
|
|
| MCULE-4894937500 |
0.87 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
|
|
| MCULE-7442709707 |
0.87 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
|
|
| MCULE-7100298727 |
0.87 |
COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-9777116319 |
0.87 |
C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
|
|
| MolPort-035-706-457 |
0.87 |
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 |
0.87 |
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 |
0.87 |
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-002-691-856 |
0.86 |
CC1=CC2C3C(C4C3C(=O)OC4=O)C1C1C2C(=O)OC1=O
|
|
| MCULE-9683452020 |
0.86 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-9425225826 |
0.86 |
C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-1795899971 |
0.86 |
C1CC23C(=O)OC(=O)C2(CCC3)CC=1
|
|
| MCULE-2769077006 |
0.86 |
C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
|
|
| MCULE-7609787636 |
0.86 |
O1C(=O)C2C(CC(=CC2)C)C1=O
|
|
| MCULE-1413309866 |
0.86 |
CC1CC2C(OC(=O)C2CC=1C)=O
|
|
| MCULE-3824820609 |
0.86 |
C1(C)CC2(C(=O)OC(=O)C2(C)CC=1)C
|
|
| MCULE-1531690228 |
0.86 |
C1(COC(=O)C)C(C(=O)O)CC(C)=CC1
|
|
| MolPort-000-154-940 |
0.86 |
CC1=C(C)CC2C(C1)C(=O)OC2=O
|
|
| MolPort-001-018-394 |
0.86 |
CC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-002-525-526 |
0.85 |
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-002-169-466 |
0.85 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
|
|
| MolPort-030-082-369 |
0.85 |
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-002-524-866 |
0.85 |
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-039-338-335 |
0.85 |
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-028-196-343 |
0.85 |
O=C(CC1CCCC1)OCC1CCC=CC1
|
|
| MolPort-001-764-881 |
0.85 |
O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O
|
|
| MolPort-002-088-576 |
0.85 |
OC(=O)C1C2CC(C=C2)C1C(=O)OC1CC2CCC1C2
|
|
| MolPort-004-951-336 |
0.85 |
O=C1OC(=O)C2C1C1C=CC2C2CC12
|
|
| MolPort-001-766-634 |
0.85 |
CC1CCC2=C(C)C3C4C(C(=O)OC4=O)C2(C1)C1C3C(=O)OC1=O
|
|
| MolPort-000-145-850 |
0.85 |
CC1=CC2(C)C3C(C1C1C2C(=O)OC1=O)C(=O)OC3=O
|
|
| MCULE-2014291882 |
0.85 |
C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-3754202975 |
0.85 |
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-6906348244 |
0.85 |
C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
|
|
| MCULE-8166977907 |
0.85 |
O=C(OCC1CC=CCC1)CC1CCCC1
|
|
| MCULE-2602485743 |
0.85 |
C123CC(C)CCC1=C(C(C1C(OC(=O)C21)=O)C1C(OC(=O)C31)=O)C
|
|
| MCULE-5393900833 |
0.85 |
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-3458261213 |
0.85 |
C12C3C(=O)OC(=O)C3C(C3C1C(=O)OC3=O)C=C2
|
|
| MCULE-9897298185 |
0.85 |
C12C(C(=O)OC1=O)C13CCCCC1=CC2C1C(=O)OC(=O)C31
|
|
| MCULE-1400366705 |
0.85 |
[C@H]12C[C@H]1[C@H]1C=C[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21
|
|
| MCULE-7155641625 |
0.85 |
C(=O)(OC1CC2CC1CC2)C1C(C(O)=O)C2CC1C=C2
|
|
| MCULE-5289910824 |
0.85 |
C12CC1C1C=CC2C2C(=O)OC(=O)C21
|
|
| MCULE-3232378757 |
0.85 |
C12(C)C=C(C)C(C3C(OC(=O)C13)=O)C1C(OC(=O)C21)=O
|
|
| MCULE-1729468181 |
0.85 |
C1=CC2C3CC(=O)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-4967241885 |
0.85 |
C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
|
|
| MCULE-9416510641 |
0.85 |
C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-7015396651 |
0.85 |
C12C(=O)OC(=O)C1C1CCCC2C=C1
|
|
| MCULE-3179520262 |
0.85 |
C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-9368478699 |
0.85 |
O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
|
|
| MCULE-5816353779 |
0.85 |
O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
|
|
| MCULE-7212307650 |
0.85 |
C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-8117200139 |
0.85 |
[C@]12([H])C(=O)OC(=O)[C@@]1([H])[C@]1([H])C[C@@]2([H])C(=C1)C
|
|
| MCULE-7718531263 |
0.85 |
C1(=O)C2C3CC(C=C3)C2C(=O)O1
|
|
| MCULE-1210480263 |
0.85 |
C1CC(C(=O)OCC)CCC=1
|
|
| MolPort-044-723-995 |
0.85 |
C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1C(=O)OC2=O
|
|
| MolPort-000-860-893 |
0.85 |
O=C1OC(=O)C2C3CC(C=C3)C12
|
|
| MolPort-006-109-285 |
0.85 |
O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12
|
|
| MolPort-004-956-447 |
0.85 |
O=C1OC(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
|
|
| MolPort-023-220-384 |
0.85 |
O=C1OC(=O)C2[C@@H]3C[C@@H](C=C3)C12
|
|
| MolPort-039-144-848 |
0.85 |
O=C1OC(=O)C2[C@H]3C[C@@H](C=C3)C12
|
|
| MolPort-044-729-631 |
0.85 |
C[C@]12[C@@H]3C[C@@H](C=C3)[C@H]1C(=O)OC2=O
|
|
| MolPort-000-718-038 |
0.85 |
CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-006-121-317 |
0.85 |
CCOC(=O)C1CCC=CC1
|
|
| MolPort-001-569-828 |
0.84 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-001-742-706 |
0.84 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MCULE-9909269217 |
0.84 |
C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
|
|
| MCULE-7037894510 |
0.84 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-7005445792 |
0.84 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-3981843538 |
0.84 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-2122796304 |
0.84 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
|
|
| MCULE-2935787590 |
0.84 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-5015030206 |
0.84 |
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-8267556474 |
0.84 |
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-6905450558 |
0.84 |
O1C(=O)CC(CC=CCCCCCC)C1=O
|
|
| MCULE-7772727437 |
0.84 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-5243784193 |
0.84 |
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
|
|
| MCULE-1158025792 |
0.84 |
O=C1CC(CC=CCCCCCCCCCCCCCCC)C(=O)O1
|
|
| MCULE-6478036230 |
0.84 |
C1CC2(COC(=O)C2([H])CC=1)C
|
|
| MCULE-7226741017 |
0.84 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
|
|
| MCULE-2603538836 |
0.84 |
C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
|
|
| MCULE-8643661135 |
0.84 |
O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
|
|
| MCULE-6074226479 |
0.84 |
C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-3146262991 |
0.84 |
C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6690425983 |
0.84 |
C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MolPort-023-221-738 |
0.84 |
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-001-760-741 |
0.84 |
CCCCCCCCC\C=C\CC1CC(=O)OC1=O
|
|
| MolPort-003-935-397 |
0.84 |
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-035-706-554 |
0.84 |
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-046-761-785 |
0.84 |
CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
|
|
| MolPort-035-706-393 |
0.83 |
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-002-911-096 |
0.83 |
CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
|
|
| MolPort-046-765-478 |
0.83 |
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-046-418-888 |
0.83 |
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-004-951-461 |
0.83 |
O=C1OC(=O)C2C1C1C=CC2C11CC1
|
|
| MolPort-002-139-577 |
0.83 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-044-649-781 |
0.83 |
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-002-509-633 |
0.83 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MCULE-1777552821 |
0.83 |
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-7076095662 |
0.83 |
O=C(C1CCCC1)OCC1CC=CCC1
|
|
| MCULE-5544927487 |
0.83 |
[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 |
0.83 |
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-1607221597 |
0.83 |
C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
|
|
| MCULE-5531778494 |
0.83 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
|
|
| MCULE-8457539977 |
0.83 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-4359391178 |
0.83 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-3397065732 |
0.83 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-4073913947 |
0.83 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-7995984986 |
0.83 |
CCCCC(CC)COC(C1CC=CCC1C(OCC(CC)CCCC)=O)=O
|
|
| MCULE-3541447914 |
0.83 |
C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-5174909262 |
0.83 |
C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
|
|
| MCULE-6716714175 |
0.83 |
C1CC(C)=CCC1C(C)(C)OC(=O)C
|
|
| MCULE-1124335251 |
0.83 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
|
|
| MCULE-2997418374 |
0.83 |
C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-7832981899 |
0.83 |
C(OC)(=O)C1CCC(=CC1)C
|
|
| MCULE-5465935467 |
0.83 |
C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2
|
|
| MCULE-7920901589 |
0.83 |
C1C(C(=O)OC)(C)CC(C)=C(C)C1
|
|
| MolPort-044-755-228 |
0.83 |
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-002-510-316 |
0.83 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
|
|
| MolPort-028-747-757 |
0.83 |
CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC
|
|
| MolPort-046-793-308 |
0.83 |
CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-001-783-805 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
|
|
| MolPort-006-113-596 |
0.83 |
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-006-115-611 |
0.83 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-003-939-461 |
0.83 |
CC(=O)OC(C)(C)C1CCC(C)=CC1
|
|
| MolPort-006-126-442 |
0.83 |
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-006-127-334 |
0.83 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-524-912 |
0.83 |
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-044-561-394 |
0.83 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-006-130-833 |
0.83 |
COC(=O)C1(C)CCC(C)=CC1
|
|
| MolPort-044-183-353 |
0.83 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-183-360 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-363 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-372 |
0.83 |
[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-044-649-704 |
0.83 |
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-044-561-392 |
0.83 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-561-383 |
0.83 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-662 |
0.83 |
CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-663 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
|
|
| MolPort-006-712-929 |
0.83 |
COC(=O)C1CCC(C)=CC1
|
|
| MolPort-006-124-971 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
|
|
| MolPort-001-921-994 |
0.83 |
CC1CC2=C(CC1COC(C)=O)C(C)(C)CCC2
|
|
| MolPort-046-793-309 |
0.83 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-044-649-592 |
0.83 |
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-006-116-794 |
0.82 |
CC1C=CCC2C1C(=O)OC2=O
|
|
| MolPort-046-676-324 |
0.82 |
C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-035-706-316 |
0.82 |
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-020-005-743 |
0.82 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-594-234 |
0.82 |
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-006-111-314 |
0.82 |
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-046-762-562 |
0.82 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-044-755-207 |
0.82 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-508-571 |
0.82 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-046-596-285 |
0.82 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-338 |
0.82 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-002-528-923 |
0.82 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-873-418 |
0.82 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-006-823-213 |
0.82 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MCULE-4026127058 |
0.82 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
|
|
| MCULE-9194849346 |
0.82 |
C1C=CC(C)C2C(=O)OC(=O)C12
|
|
| MCULE-2188882812 |
0.82 |
C1C([H])(C)C2([H])C(=O)OC(=O)C2([H])C([H])(C)C=1
|
|
| MCULE-2457325018 |
0.82 |
C1CC(CCCCC(OCC)=O)CCC=1C
|
|
| MCULE-2182894320 |
0.82 |
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-9824682578 |
0.82 |
[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-8824249409 |
0.82 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-1850569909 |
0.82 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-3173207342 |
0.82 |
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-5241313012 |
0.82 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-3758685184 |
0.82 |
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-6913740702 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-9650544498 |
0.82 |
[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-8227756693 |
0.82 |
C1(=O)C2C(C)C(C)=CC(/C=C(/C)\C)C2C(=O)O1
|
|
| MCULE-4168657248 |
0.82 |
[C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
|
|
| MCULE-6276076551 |
0.82 |
C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-1191180792 |
0.82 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
|
|
| MCULE-5549232456 |
0.82 |
[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-7580027619 |
0.82 |
C12C(C=C1)C1C(=O)OC(=O)C21
|
|
| MCULE-6763312421 |
0.82 |
[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-2660227283 |
0.82 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-2662745028 |
0.82 |
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-8110589241 |
0.82 |
C12CC1C1C=CC2C(C1C(=O)OC(C)C)C(O)=O
|
|
| MolPort-035-874-124 |
0.82 |
CC1C2C(C(C=C(C)C)C=C1C)C(=O)OC2=O
|
|
| MolPort-028-610-012 |
0.82 |
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-039-338-911 |
0.82 |
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-003-850-810 |
0.82 |
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 |
0.82 |
CCCCCC(=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 |
0.82 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
|
|
| MolPort-002-510-498 |
0.82 |
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-046-156-417 |
0.82 |
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-010-969-194 |
0.82 |
CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
|
|
| MolPort-000-776-376 |
0.82 |
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-046-596-261 |
0.82 |
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-039-338-282 |
0.82 |
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-035-706-364 |
0.82 |
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-003-698-563 |
0.81 |
COC(=O)C1CC2CC1C=C2
|
|
| MolPort-001-762-335 |
0.81 |
COC(=O)C1CC2CC1C=C2
|
|
| MolPort-003-938-896 |
0.81 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-046-418-349 |
0.81 |
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-027-728-401 |
0.81 |
CCOC(=O)CC1CCC=C1
|
|
| MolPort-046-418-348 |
0.81 |
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-021-782-997 |
0.81 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-009-014-420 |
0.81 |
CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
|
|
| MCULE-2449230661 |
0.81 |
C1(CC2CC1C=C2)C(OC)=O
|
|
| MCULE-3344154059 |
0.81 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-5593960668 |
0.81 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-3134302963 |
0.81 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-4795427452 |
0.81 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
|
|
| MCULE-4012121864 |
0.81 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
|
|
| MCULE-4172470592 |
0.81 |
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-5488659453 |
0.81 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-7045925975 |
0.81 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-8627319345 |
0.81 |
[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-8392201259 |
0.81 |
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-1602734224 |
0.81 |
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-1044387998 |
0.81 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-5866611081 |
0.81 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-9000317976 |
0.81 |
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-7584425650 |
0.81 |
C1CC2(C)C(=O)OC(=O)C2(C)CC=1
|
|
| MCULE-9323409980 |
0.81 |
[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-7343644414 |
0.81 |
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-5822421820 |
0.81 |
[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-3608441851 |
0.81 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-2384003351 |
0.81 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-7382046053 |
0.81 |
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-1753087854 |
0.81 |
C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
|
|
| MCULE-4909263569 |
0.81 |
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-4772039176 |
0.81 |
[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-4529602980 |
0.81 |
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-8613188927 |
0.81 |
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-8407720746 |
0.81 |
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-5859688598 |
0.81 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-5874149529 |
0.81 |
[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-5172373620 |
0.81 |
C1(C)(CC2CC1C=C2)C(OCCCCCl)=O
|
|
| MCULE-2971132760 |
0.81 |
C1(C)(CC2CC1C=C2)C(OCCCCBr)=O
|
|
| MCULE-2674516333 |
0.81 |
C1(CC2CC1C=C2)C(OCCCCBr)=O
|
|
| MCULE-8543972286 |
0.81 |
C12CC(C(C)C1C(OCCCCCl)=O)C=C2
|
|
| MolPort-035-706-303 |
0.81 |
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-044-755-261 |
0.81 |
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-035-706-399 |
0.81 |
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-035-706-325 |
0.81 |
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-002-514-171 |
0.81 |
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-007-980-917 |
0.81 |
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-003-850-422 |
0.81 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-790-069 |
0.81 |
O=C1OC(=O)C2CC=CCC12
|
|
| MolPort-019-995-532 |
0.81 |
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-046-793-259 |
0.81 |
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-019-992-388 |
0.81 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-418-951 |
0.81 |
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-000-726-176 |
0.81 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-001-781-448 |
0.81 |
O=C1OC(=O)[C@@H]2CC=CC[C@H]12
|
|
| MolPort-042-652-640 |
0.81 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
|
|
| MolPort-006-111-246 |
0.81 |
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-003-959-637 |
0.81 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-003-959-707 |
0.81 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-402 |
0.81 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-959-766 |
0.81 |
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-035-706-384 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-459 |
0.80 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
|
|
| MolPort-007-980-885 |
0.80 |
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-035-706-398 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-020-005-732 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-001-788-276 |
0.80 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-006-130-881 |
0.80 |
CCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-046-158-505 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-363 |
0.80 |
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-035-691-408 |
0.80 |
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
|
|
| MolPort-039-338-561 |
0.80 |
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
|
|
| MolPort-039-338-564 |
0.80 |
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
|
|
| MolPort-039-339-023 |
0.80 |
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
|
|
| MCULE-3486771028 |
0.80 |
C(CC(=O)OCC)CCCCCC=CCCCCCCCC
|
|
| MCULE-9535038485 |
0.80 |
C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
|
|
| MCULE-6934635209 |
0.80 |
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-8392723345 |
0.80 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-9199968322 |
0.80 |
C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
|
|
| MCULE-9367731136 |
0.80 |
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-7433867323 |
0.80 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-4960489764 |
0.80 |
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-3207105074 |
0.80 |
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-7826570024 |
0.80 |
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-6092837871 |
0.80 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-6799150619 |
0.80 |
C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O
|
|
| MolPort-046-689-506 |
0.80 |
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-044-755-229 |
0.80 |
CC(=O)O[C@H]1CCC2[C@H]3CC[C@]4(C)C(=O)CCC4=C3C[C@@H](O)[C@]2(C)C1
|
|
| MolPort-038-386-485 |
0.80 |
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-046-765-550 |
0.80 |
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-001-740-108 |
0.80 |
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
|
|
| MolPort-044-561-396 |
0.80 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-046-793-306 |
0.80 |
CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-044-183-375 |
0.80 |
[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-044-183-373 |
0.80 |
[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-039-338-144 |
0.80 |
C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
|
|
| MolPort-002-511-376 |
0.80 |
CC1CC(CCC=C(C)C)=CCC1COC(C)=O
|
|
| MolPort-044-183-364 |
0.80 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-511-906 |
0.79 |
CC1[C@H]2[C@@H](CC(C=C(C)C)=C1C)C(=O)OC2=O
|
|
| MolPort-001-508-577 |
0.79 |
CC(C)=C1C2C=CC1C1C2C(=O)OC1=O
|
|
| MolPort-002-507-056 |
0.79 |
CC1C2C(CC(C=C(C)C)=C1C)C(=O)OC2=O
|
|
| MolPort-044-649-782 |
0.79 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[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-035-946-559 |
0.79 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
|
|
| MolPort-002-508-875 |
0.79 |
CCCCC(=O)OCC1(COC(=O)CCCC)C(C)CC(C)=CC1C
|
|
| MolPort-003-941-230 |
0.79 |
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-001-963-974 |
0.79 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-000-208-022 |
0.79 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-028-247-126 |
0.79 |
O=C(CCC1CCCO1)OCC1CCC=CC1
|
|
| MolPort-046-692-025 |
0.79 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
|
|
| MolPort-002-911-091 |
0.79 |
CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
|
|
| MolPort-039-339-228 |
0.79 |
C[C@@H](CC[C@@H](O)C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O
|
|
| MolPort-044-755-196 |
0.79 |
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-028-196-509 |
0.79 |
CC(C)CC(=O)OCC1CC=CCC1C
|
|
| MolPort-002-819-159 |
0.79 |
COC(=O)C1CCC2C3CCC4C(CCC4(OC(C)=O)C(=O)COC(C)=O)C3CC=C2C1
|
|
| MCULE-1835141621 |
0.79 |
C12C3C=CC(C3=C(C)C)C1C(OC2=O)=O
|
|
| MCULE-7442498630 |
0.79 |
C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
|
|
| MCULE-1138338360 |
0.79 |
CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-9075211166 |
0.79 |
[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-9610038426 |
0.79 |
C1(COC(CCCC)=O)(COC(CCCC)=O)C(C)CC(=CC1C)C
|
|
| MCULE-5783941091 |
0.79 |
O=C(OCC1CC=CCC1)CCC1OCCC1
|
|
| MCULE-1491500449 |
0.79 |
O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
|
|
| MCULE-4559063392 |
0.79 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C
|
|
| MCULE-2386800783 |
0.79 |
O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
|
|
| MCULE-4453162060 |
0.79 |
CC(CC(OCC1C(C)CC=CC1)=O)C
|
|
| MCULE-3543018898 |
0.79 |
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-6875559589 |
0.79 |
C1(OC(C)=O)(CCC2C3C(C4CCC(CC4=CC3)C(OC)=O)CCC12)C(=O)COC(C)=O
|
|
| MCULE-7081720222 |
0.79 |
COC([C@H]1C2C=CC(CC2)[C@H]1C(O)=O)=O
|
|
| MCULE-5578038643 |
0.79 |
O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
|
|
| MCULE-4103920893 |
0.79 |
C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C
|
|
| MCULE-9600703174 |
0.79 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
|
|
| MCULE-4145707178 |
0.79 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)([H])OC(C)=O
|
|
| MCULE-1065163743 |
0.79 |
[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-8464956672 |
0.79 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-2488392484 |
0.79 |
[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]
|
|
| MCULE-1537420527 |
0.79 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MolPort-044-600-547 |
0.79 |
COC(=O)[C@H]1C2CCC(C=C2)[C@H]1C(O)=O
|
|
| MolPort-035-784-535 |
0.79 |
CCOC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-044-755-193 |
0.79 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-591-674 |
0.79 |
CCOC(=O)C1C2CC\C=C/CCC12
|
|
| MolPort-046-590-621 |
0.79 |
CCOC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-046-761-006 |
0.79 |
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-006-069-223 |
0.79 |
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-035-881-917 |
0.79 |
CCC\C=C\CC1CC(=O)OC1=O
|
|
| MolPort-046-596-271 |
0.79 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-506-965 |
0.79 |
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-001-840-675 |
0.79 |
CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
|
|
| MolPort-002-530-021 |
0.79 |
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-044-649-594 |
0.79 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-510-459 |
0.79 |
CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-509-430 |
0.79 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-520-650 |
0.79 |
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-039-052-375 |
0.78 |
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-044-649-737 |
0.78 |
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-039-338-521 |
0.78 |
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-023-278-910 |
0.78 |
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 |
0.78 |
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 |
0.78 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MCULE-9033649357 |
0.78 |
CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
|
|
| MCULE-5873294860 |
0.78 |
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-2276317128 |
0.78 |
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-9978018071 |
0.78 |
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-7286590115 |
0.78 |
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-1153848413 |
0.78 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-5177446419 |
0.78 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-2652266780 |
0.78 |
C(C=CCCCCCCCC(=O)OCCCC)[C@H](O)CCCCCC
|
|
| MCULE-8024539765 |
0.78 |
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 |
0.78 |
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-6004210718 |
0.78 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-9512042267 |
0.78 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
|
|
| MCULE-7379708485 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
| MCULE-4605464077 |
0.78 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
|
|
| MCULE-3880817234 |
0.78 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-1074800625 |
0.78 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
|
|
| MCULE-7903674091 |
0.78 |
CC(COC1C(C)(C)C(OC(C2CC=CCC2)=O)C1)C
|
|
| MCULE-9728792876 |
0.78 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-8712822346 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-6118345848 |
0.78 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-8183627372 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-7993538244 |
0.78 |
[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-1739744430 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-9491535728 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-2803933654 |
0.78 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-9035451811 |
0.78 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-4910370058 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
|
|
| MCULE-4068140047 |
0.78 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-9028214804 |
0.78 |
[C@@H]1(OC(C)=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC=2
|
|
| MCULE-9076166215 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-3093682807 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-4121090747 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-5701442831 |
0.78 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-9533823250 |
0.78 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-7088876584 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-9337389884 |
0.78 |
C(C)(=O)OC1CC2(CC=C3C(=CCC4(C)C(C(C)CCC(OC)=O)CCC43)C2(C)CC1)[H]
|
|
| MCULE-9886067523 |
0.78 |
[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-2274449987 |
0.78 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-7914276135 |
0.78 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
|
|
| MCULE-8218822760 |
0.78 |
C12CC(C3CC=CC13)CC2OC(C)=O
|
|
| MCULE-5173677772 |
0.78 |
[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H]
|
|
| MCULE-2306367523 |
0.78 |
C12CC(CC1OC(CC)=O)C1C=CCC21
|
|
| MCULE-9005119173 |
0.78 |
C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1
|
|
| MCULE-3968820569 |
0.78 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
|
|
| MCULE-7646524137 |
0.78 |
O(C1C2C3C4C5C6C7C(C5C(=O)C41)C=CC7C(C36)C2=O)C(C)=O
|
|
| MolPort-046-596-311 |
0.78 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-000-700-004 |
0.78 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-515-746 |
0.78 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(=O)CC)OC(C)=O
|
|
| MolPort-002-529-651 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(O)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-506-933 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-524-141 |
0.78 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-730-176 |
0.78 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-506-956 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-001-785-924 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-046-765-468 |
0.78 |
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
|
|
| MolPort-002-510-678 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-023-221-501 |
0.78 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-524-244 |
0.78 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-507-126 |
0.78 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-044-755-262 |
0.78 |
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-691-653 |
0.78 |
CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-027-708-013 |
0.78 |
CC(C)COC1CC(OC(=O)C2CCC=CC2)C1(C)C
|
|
| MolPort-002-510-452 |
0.78 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-526-754 |
0.78 |
CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-798-252 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-810-910 |
0.78 |
CCC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-002-810-909 |
0.78 |
CC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-810-764 |
0.78 |
CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-691-651 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-527-697 |
0.78 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-000-835-607 |
0.78 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-000-738-028 |
0.78 |
C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-528-770 |
0.78 |
CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-046-763-326 |
0.78 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-158-100 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-046-596-384 |
0.78 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-838-146 |
0.78 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-042-646-618 |
0.78 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-000-744-261 |
0.78 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-001-535-946 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
|
|
| MolPort-046-597-310 |
0.78 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-042-646-617 |
0.78 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-507-454 |
0.78 |
C[C@@H]1CC2[C@@H]3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-686-234 |
0.78 |
C[C@@H]1CC2C3CC=C4CCCC(OC(C)=O)C4(C)C3CCC2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-762-520 |
0.78 |
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-002-525-874 |
0.78 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-529-126 |
0.78 |
CCC(=O)OC1C[C@@H]2C[C@H]1C1CC=CC21
|
|
| MolPort-002-507-829 |
0.78 |
CCC(=O)OC1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21
|
|
| MolPort-006-122-262 |
0.78 |
CCC(=O)OC1CC2CC1C1CC=CC21
|
|
| MolPort-002-886-211 |
0.78 |
CC(=O)OC1CC2CC1C1C=CCC21
|
|
| MolPort-003-987-059 |
0.78 |
CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
|
|
| MolPort-044-755-257 |
0.78 |
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-044-649-744 |
0.77 |
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
|
|
| MolPort-035-706-205 |
0.77 |
CC(C)[C@H]1[C@H]2C=C(C)[C@H](C[C@H]2[C@H](C)CC1=O)OC(C)=O
|
|
| MolPort-046-765-479 |
0.77 |
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 |
0.77 |
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-002-145-709 |
0.77 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-001-994-226 |
0.77 |
COC(=O)C1CC(C)=CC(C)C1C(O)=O
|
|
| MolPort-000-824-500 |
0.77 |
CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-485 |
0.77 |
CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-558 |
0.77 |
CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-514-937 |
0.77 |
CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-525-983 |
0.77 |
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-001-781-534 |
0.77 |
CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCC
|
|
| MolPort-002-529-465 |
0.77 |
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 |
0.77 |
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-023-223-808 |
0.77 |
CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCC
|
|
| MolPort-044-649-589 |
0.77 |
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(F)=O
|
|
| MolPort-044-649-701 |
0.77 |
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(F)=O)C1(C)C
|
|
| MCULE-9966949324 |
0.77 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-7813982811 |
0.77 |
C1(CC2CC1C=C2)C(OCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-8822838184 |
0.77 |
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-2496032129 |
0.77 |
OC(C1(CC=CC1)CC1CCOCC1)=O
|
|
| MCULE-1104455109 |
0.77 |
C1(C)(C(C)CCC2(C)C(=CCCC21)C)CC1CC(CCC1OC(C)=O)OC(C)=O
|
|
| MCULE-4098552700 |
0.77 |
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-2555920424 |
0.77 |
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-3334544373 |
0.77 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-7666040130 |
0.77 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-5621761126 |
0.77 |
[C@H]1(CC=CC[C@H]1C(OCC)=O)C(OCC)=O
|
|
| MCULE-6914138383 |
0.77 |
[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
|
|
| MCULE-5701533038 |
0.77 |
C1(CC(C)=CC(C)C1C(O)=O)C(OC)=O
|
|
| MCULE-1705600426 |
0.77 |
C12C(CCC(=O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-7226046270 |
0.77 |
C12C(CCC(O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-9509535864 |
0.77 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-1836906318 |
0.77 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-9207728452 |
0.77 |
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-2234048518 |
0.77 |
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-8234847813 |
0.77 |
[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-3358579622 |
0.77 |
O=C(OCC1CCCO1)C1CC2CC1C=C2
|
|
| MCULE-8015641642 |
0.77 |
C1CC2(C)C3CCC4C5C(C(C)=C)CCC5(C(=O)O)CCC4(COC(=O)C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-8789756191 |
0.77 |
C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
|
|
| MCULE-6886775784 |
0.77 |
[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(C)=O)C2(C)C)C(OC)=O
|
|
| MCULE-4176831119 |
0.77 |
C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
|
|
| MCULE-2726581544 |
0.77 |
C(OCC1CC=CCC1C)(C)=O
|
|
| MCULE-6773378809 |
0.77 |
C1=CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-1733908720 |
0.77 |
CCCCCCCCCCCCOC(CCCCCCCC=CCC=CCCCCC)=O
|
|
| MCULE-4633610104 |
0.77 |
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-4683482437 |
0.77 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
|
|
| MCULE-5475024726 |
0.77 |
[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-5476020058 |
0.77 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-9767686096 |
0.77 |
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-4487426289 |
0.77 |
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-3429789050 |
0.77 |
[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-6654749941 |
0.77 |
[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-7277178316 |
0.77 |
[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-8977795489 |
0.77 |
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-4593875674 |
0.77 |
[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-1588785943 |
0.77 |
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-8572432727 |
0.77 |
[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-1587965499 |
0.77 |
[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-6594306024 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1361205448 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-2808257085 |
0.77 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-2887956476 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(C)=O
|
|
| MCULE-3569475442 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1675088199 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8461996452 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3568637165 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3557825189 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8794665540 |
0.77 |
[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-1849472820 |
0.77 |
C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-2831209997 |
0.77 |
[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-4894890520 |
0.77 |
C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
|
|
| MCULE-9783163200 |
0.77 |
[Na+].C1CC2(C)C3CCC4(C)C(C([O-])=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-7520151391 |
0.77 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-5520472136 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(O)C(C)=O
|
|
| MCULE-7551134886 |
0.77 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-1992456011 |
0.77 |
[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-3263354032 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9987906336 |
0.77 |
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-8816644358 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-9599193894 |
0.77 |
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-7699673107 |
0.77 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-9543309945 |
0.77 |
C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
|
|
| MCULE-1286036245 |
0.77 |
[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-1091492885 |
0.77 |
[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-8608886418 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-9783531925 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-6581533408 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-1955355747 |
0.77 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-1526124264 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-7000169771 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-8057071681 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-2983937435 |
0.77 |
[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-8252955604 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-4016604549 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-9956647861 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-2895344878 |
0.77 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
|
|
| MCULE-6943417160 |
0.77 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-6785867509 |
0.77 |
[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-4139907319 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-2730494737 |
0.77 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-4311810496 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-7560687727 |
0.77 |
[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-6883610361 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MCULE-7271710617 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-3268211483 |
0.77 |
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-7572819806 |
0.77 |
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-6929994718 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-7313126879 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-7973895970 |
0.77 |
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-5265419450 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-9770266464 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5268900721 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-1257490890 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-1900297968 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-5451000624 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-8036810785 |
0.77 |
[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-1928835025 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1292912968 |
0.77 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-3582226231 |
0.77 |
[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-7300055150 |
0.77 |
[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-3632686303 |
0.77 |
[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-9107883806 |
0.77 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
|
|
| MCULE-3951215552 |
0.77 |
[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-4759733755 |
0.77 |
[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-3362097880 |
0.77 |
[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-4138416849 |
0.77 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)=O
|
|
| MolPort-002-508-476 |
0.77 |
CC1CCC2(C)C(C)=CCCC2(C)C1OC=O
|
|
| MolPort-038-386-613 |
0.77 |
CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
|
|
| MolPort-002-801-253 |
0.77 |
COC(=O)C12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-007-980-881 |
0.77 |
CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-001-757-202 |
0.77 |
COC(=O)C1CCC=CC1
|
|
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O)OC(C)=O
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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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CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
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CCC\C=C/CCCCCCCOC(C)=O
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OC(=O)C1CC2CCC1C=C2
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CC\C=C\CCCCCCCCOC(C)=O
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CC(=O)OC1(C)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C
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| MCULE-3959902732 |
0.76 |
OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-3596150007 |
0.76 |
C(CCCCOC(=O)C)CCCCCC=CCCCC
|
|
| MCULE-9123998949 |
0.76 |
C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
|
|
| MCULE-7933091917 |
0.76 |
C(C)(OCCCCCCCCC=CCCCCCCCC)=O
|
|
| MCULE-4045769000 |
0.76 |
C(CCCOC(=O)C)CCC=CCCCC
|
|
| MCULE-1256663608 |
0.76 |
C1(=O)CC2(C)C(CCC(C)CCOC(=O)C)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-6334133550 |
0.76 |
C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
|
|
| MCULE-9935430898 |
0.76 |
C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
|
|
| MCULE-5624348400 |
0.76 |
C1(C(=O)O)CC2C=CC1CC2
|
|
| MCULE-6236769106 |
0.76 |
C/C(/C)=C/C1C(C)(C)C1C(OCCCCCO)=O
|
|
| MCULE-7665525246 |
0.76 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-5753734207 |
0.76 |
C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
|
|
| MCULE-2969710957 |
0.76 |
C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-5482566460 |
0.76 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-2507451013 |
0.76 |
[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-9149239842 |
0.76 |
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-7818588594 |
0.76 |
CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
|
|
| MCULE-9358355806 |
0.76 |
C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
|
|
| MCULE-9340600776 |
0.76 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-3280168913 |
0.76 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-3172312748 |
0.76 |
C1C2(CCC2(CC=C1)C(OC)=O)C(OC)=O
|
|
| MCULE-1853994027 |
0.76 |
CC1(C(C2C=CCCC2)(C=O)CCO1)C
|
|
| MCULE-7135107425 |
0.76 |
[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-2804316805 |
0.76 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-8726234628 |
0.76 |
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-1665605717 |
0.76 |
[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 |
0.76 |
[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
|
|
| MolPort-003-959-446 |
0.76 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-002-523-178 |
0.76 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CCC=C4CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-006-106-573 |
0.76 |
[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-005-933-646 |
0.76 |
[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-046-761-598 |
0.76 |
[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-002-522-118 |
0.76 |
COC(=O)[C@@]1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2C1
|
|
| MolPort-000-736-610 |
0.75 |
CCOC(=O)C1C(C=C(C)C)C1(C)C
|
|
| MolPort-002-855-142 |
0.75 |
COC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)OC
|
|
| MolPort-044-649-852 |
0.75 |
CCOC(=O)C1(CC=C(C)C)CCCC1=O
|
|
| MolPort-006-130-828 |
0.75 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-855-106 |
0.75 |
COC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)OC
|
|
| MolPort-046-761-515 |
0.75 |
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-003-847-034 |
0.75 |
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 |
0.75 |
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-002-911-147 |
0.75 |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-001-740-745 |
0.75 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-046-689-666 |
0.75 |
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-046-765-549 |
0.75 |
[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]
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|
| MolPort-002-893-940 |
0.75 |
CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-529-366 |
0.75 |
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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|
| MolPort-035-706-407 |
0.75 |
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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|
| MolPort-002-526-756 |
0.75 |
CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@@]4(CC[C@@]32C)C=O)C(C)=C)C1(C)C
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| MolPort-002-511-669 |
0.75 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
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|
| MolPort-007-980-880 |
0.75 |
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
|
|
| MolPort-002-510-721 |
0.75 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCC
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|
| MolPort-002-501-678 |
0.75 |
CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-016-580-595 |
0.75 |
C\C=C\CC1CC(=O)OC1=O
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|
| MolPort-021-804-634 |
0.75 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C
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|
| MolPort-028-951-340 |
0.75 |
CCOC(=O)C(C1CCCC=C1)C(=O)OCC
|
|
| MolPort-002-524-287 |
0.75 |
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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|
| MolPort-044-811-198 |
0.75 |
CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
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|
| MolPort-001-739-561 |
0.75 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C(CCC12C=O)OC(C)=O
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|
| MolPort-046-688-689 |
0.75 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-588-137 |
0.75 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCC
|
|
| MolPort-003-855-522 |
0.75 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)CC
|
|
| MolPort-003-855-529 |
0.75 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCC
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|
| MolPort-042-644-764 |
0.75 |
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-044-755-199 |
0.75 |
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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|
| MCULE-1684690626 |
0.75 |
C1(C)(C)C(C1/C=C(/C)\C)C(OCC)=O
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|
| MCULE-2260551226 |
0.75 |
C1(C(OC)=O)CC(C)=C(CC1C(OC)=O)C
|
|
| MCULE-7768798034 |
0.75 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
|
|
| MCULE-3445538277 |
0.75 |
C1(CCCC1=O)(C/C=C(\C)/C)C(OCC)=O
|
|
| MCULE-4899690160 |
0.75 |
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-3583239018 |
0.75 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
|
|
| MCULE-9210235948 |
0.75 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
|
|
| MCULE-7236722260 |
0.75 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-7602245034 |
0.75 |
C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-1085736388 |
0.75 |
C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
|
|
| MCULE-5598436575 |
0.75 |
C(C)(=O)OC1CC2(CC=C3C(=CC(C4(C)C(C(C)CCC(OC)=O)CCC43)=O)C2(C)CC1)[H]
|
|
| MCULE-9975535341 |
0.75 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-5446385915 |
0.75 |
C(C)(=O)OC1CC2C(C=C3C4CC=C(C4(C)CC(C3C2(C)CC1)=O)C(C)=O)=O
|
|
| MCULE-2994624081 |
0.75 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-5145383615 |
0.75 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-3995180038 |
0.75 |
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-2565904577 |
0.75 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-3046367928 |
0.75 |
C1=CC2C3C4C5C(C(OC)=O)(C2(C(OC)=O)C4C=C5)C13
|
|
| MCULE-2780089397 |
0.75 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-6837878494 |
0.75 |
C12C(C(=C)C)CCC1(COC(=O)C)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)=O
|
|
| MCULE-2999920945 |
0.75 |
C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
|
|
| MCULE-7247024759 |
0.75 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-2352400825 |
0.75 |
C12C(C(=O)OC)C(C(=O)OC)C(C(C(OC)=O)C1C(OC)=O)C=C2
|
|
| MCULE-2458465887 |
0.75 |
O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
|
|
| MCULE-1105300545 |
0.75 |
[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-6563972685 |
0.75 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-6215028771 |
0.75 |
[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-6652384834 |
0.75 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-5332478343 |
0.75 |
C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
|
|
| MCULE-7503740182 |
0.75 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-9395429387 |
0.75 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-2665777576 |
0.75 |
CC1C(C2C=CCCC2)C(=O)CO1
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|
| MCULE-6136215019 |
0.75 |
C1=CC2CC1C(C(=O)OC)C2C(=O)OC
|
|
| MCULE-8245989851 |
0.75 |
C12CC(C=C1)C(C(OC)=O)C2C(O)=O
|
|
| MCULE-2975110457 |
0.75 |
C(CC(=O)OCC)CCCCC/C=C/C/C=C/C/C=C/CC
|
|
| MCULE-4945759027 |
0.75 |
OC(C1(CC=CC1)CC1COCC1)=O
|
|
| MCULE-7694957039 |
0.75 |
O=C1CCC(OCC2CC=CCC2)CC1
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|
| MCULE-8236621147 |
0.75 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-7177256815 |
0.75 |
C(CCC(=O)OCC)CCC=CCC=CCC=CCC=CCC=CCC
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|
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0.75 |
C1([H])(C(OC)=O)C2C3C4C1C=CC4C([H])(C(OC)=O)C3C=C2
|
|
| MCULE-1984890609 |
0.75 |
C(/CCCCCCCC(OCC)=O)=C/C/C=C\C/C=C\CC
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| MCULE-5773937031 |
0.75 |
C12C3C=CC1C(C(OC)=O)(C)C1C=CC(C3(C(OC)=O)C)C12
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|
| MCULE-4255982344 |
0.75 |
C(CCCCCCCC=CCC=CCC=CCC)(OCC)=O
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0.75 |
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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0.75 |
C(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C
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|
| MCULE-4304799829 |
0.75 |
C(CCCCCCCC=CCC=CCCCCC)(OCC)=O
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|
| MCULE-2024187649 |
0.75 |
[C@]12(C)CCC[C@](C)(C(O)=O)C1CCC(=C)[C@@H]2CCC(C)CCOC(C)=O
|
|
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0.75 |
C(OCC)(=O)C1CCC(CC1)=C
|
|
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0.75 |
CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
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0.75 |
CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
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0.75 |
CC1=CC2C(CC1)C(=O)OC2=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[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
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CCCCC\C=C\C\C=C/CCCCCCCCCC(=O)OCC
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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)(C)OC(=O)C1(CCC=CC1)C(O)=O
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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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0.75 |
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
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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)[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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0.75 |
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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0.75 |
COC(=O)C1C2CC(C=C2)C1C(=O)OC
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0.75 |
CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
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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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0.75 |
COC(=O)C1C2CC(C=C2)C1C(O)=O
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC
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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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COC(=O)[C@@H]1C2CC(C=C2)[C@H]1C(O)=O
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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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CCOC(=O)C1CCC(=C)CC1
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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
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0.75 |
CC(CCC1C(=C)CCC2C(C)(COC(C)=O)CCCC12C)CC(O)=O
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0.75 |
CC(CCOC(C)=O)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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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
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CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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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
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CCC(=O)OCC(=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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|
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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
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CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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| MolPort-000-700-526 |
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CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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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
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0.74 |
CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.74 |
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
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0.74 |
CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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0.74 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.74 |
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
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0.74 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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|
| MolPort-035-946-557 |
0.74 |
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
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|
| MolPort-002-510-060 |
0.74 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
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| MolPort-000-730-791 |
0.74 |
CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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|
| MolPort-044-755-237 |
0.74 |
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
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|
| MolPort-039-338-520 |
0.74 |
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
|
|
| MCULE-5653473871 |
0.74 |
[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-1465573856 |
0.74 |
[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]
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|
| MCULE-1094526426 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
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|
| MCULE-3623108676 |
0.74 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
|
|
| MCULE-7919639616 |
0.74 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-1555066285 |
0.74 |
[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-6632709049 |
0.74 |
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-5613497776 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-7519944367 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-7225794462 |
0.74 |
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-5907023439 |
0.74 |
[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-7091792733 |
0.74 |
[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-8304268118 |
0.74 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-1255015250 |
0.74 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
|
|
| MCULE-8140512979 |
0.74 |
[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-2112245744 |
0.74 |
CCCCCC[C@](CC=CCCCCCCCC(OC)=O)(OC(C)=O)[H]
|
|
| MCULE-4622236046 |
0.74 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-2644108928 |
0.74 |
C(CCC(=CCCC(C)=C)C)(OCC)=O
|
|
| MCULE-8296033831 |
0.74 |
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-4242284738 |
0.74 |
C12(CCC(C3C(=O)OC(=O)C13)C=C2)C(=O)O
|
|
| MCULE-5501928946 |
0.74 |
C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
|
|
| MCULE-9031983714 |
0.74 |
C1=CC2C3C(C)=C(C)C3C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-4207554768 |
0.74 |
C12C=CC(C(C(OC)=O)C1C(OC)=O)C1C=CC21
|
|
| MCULE-8186617947 |
0.74 |
C1=CC2C3C=C(C)C3C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-6834807417 |
0.74 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.74 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-2445591436 |
0.74 |
C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
|
|
| MCULE-1993565165 |
0.74 |
C1(/CCC(C/1)C(OC)=O)=C(/C)\C
|
|
| MolPort-044-650-183 |
0.74 |
OC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-000-692-442 |
0.74 |
COC(=O)C1C2C=CC(C3C=CC23)C1C(=O)OC
|
|
| MolPort-002-510-983 |
0.74 |
COC(=O)CC1(C)OC2CCCCC2C2C=CCCC12
|
|
| MolPort-001-917-870 |
0.74 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-067-613 |
0.74 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| 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
|
|
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0.74 |
CC(CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C)OC(C)=O
|
|
| MolPort-035-706-391 |
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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]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
|
|
| MolPort-035-683-181 |
0.74 |
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
|
|
| MolPort-006-112-402 |
0.73 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-027-849-841 |
0.73 |
CC(C)CCCC(C)C1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-039-338-640 |
0.73 |
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-002-510-591 |
0.73 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-039-338-642 |
0.73 |
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
|
|
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0.73 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C=CC4=O)[C@@H]3CC=C2C1
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|
| MolPort-002-528-225 |
0.73 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC
|
|
| MolPort-003-855-482 |
0.73 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC
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|
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0.73 |
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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0.73 |
CCOC(=O)C1(CCC=CC1)C(=O)OCC
|
|
| MolPort-004-964-035 |
0.73 |
CCOC(=O)C1C(C)CC=CC1=O
|
|
| MolPort-001-928-668 |
0.73 |
CCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-046-765-240 |
0.73 |
CCCCCCCC\C=C\CCCCCCCC(=O)OCCO
|
|
| MolPort-035-706-216 |
0.73 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-019-905-584 |
0.73 |
O=C1OC(=O)C2C=CCCC12
|
|
| MolPort-035-706-307 |
0.73 |
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
|
|
| MCULE-8390750975 |
0.73 |
[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]
|
|
| MCULE-8269410469 |
0.73 |
[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-2247897001 |
0.73 |
COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
|
|
| MCULE-6950544067 |
0.73 |
[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-2479536906 |
0.73 |
[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-3525602825 |
0.73 |
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-3998827933 |
0.73 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-6534469638 |
0.73 |
C(CCCCC=CCCCC)CCC(=O)OC
|
|
| MCULE-5111117747 |
0.73 |
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-8140747078 |
0.73 |
C(CCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-6601751883 |
0.73 |
C1(C)CC(CCC=1C)C(O)=O
|
|
| MCULE-4995415924 |
0.73 |
C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
|
|
| MCULE-9335086572 |
0.73 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-3212175174 |
0.73 |
C1(C)(CCC(=C(C)C1)C)C(O)=O
|
|
| MCULE-8045386580 |
0.73 |
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-6367656540 |
0.73 |
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-3143886740 |
0.73 |
C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-4832560741 |
0.73 |
C(C)=CCCCCCCCCOC(=O)C
|
|
| MCULE-6217200752 |
0.73 |
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-1308336736 |
0.73 |
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-9474095410 |
0.73 |
[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-7088367969 |
0.73 |
[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-6888052424 |
0.73 |
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-5533097898 |
0.73 |
C(CCCC(=O)OC)CCCC=CCCCCCC
|
|
| MCULE-1052417281 |
0.73 |
C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-2350131012 |
0.73 |
C(CCCCCCCCC=CCCCCCC)(OC)=O
|
|
| MCULE-9625022025 |
0.73 |
CC1CCC(C(=O)O)(C)CC=1
|
|
| MCULE-8493572612 |
0.73 |
C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
|
|
| MCULE-3684696083 |
0.73 |
CCCCCC/C=C/CCCCCCCC(OC)=O
|
|
| MCULE-5064546197 |
0.73 |
[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-6247777566 |
0.73 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-2983690182 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-5472477242 |
0.73 |
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-8770472130 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-4024956051 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-9929087674 |
0.73 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-9280847330 |
0.73 |
[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-7783153626 |
0.73 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-6762964573 |
0.73 |
C(CC(C)C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-4823161367 |
0.73 |
[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-2391054675 |
0.73 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9677472724 |
0.73 |
C(OCCOC(C1CCC=CC1)=O)(C1CCC=CC1)=O
|
|
| MCULE-8950218547 |
0.73 |
C1(C(C)CC=CC1=O)C(OCC)=O
|
|
| MCULE-3490442378 |
0.73 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-3633249572 |
0.73 |
C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
|
|
| MCULE-6016945740 |
0.73 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
|
|
| MCULE-8879177648 |
0.73 |
OC(C1(CC=CCC1)CC1CC=CC1)=O
|
|
| MCULE-7460548556 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CC)CCC4C3CCC2(C1)[H]
|
|
| MCULE-1496776491 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
|
|
| MCULE-1802725599 |
0.73 |
C/C(/C)=C/C1C(C)(C)C1C(OC1C(C#N)CCCC1)=O
|
|
| MCULE-9979696719 |
0.73 |
CC1C(C)C2C(C)(CCC3(C)C4(C)CCC5C(C(O)=O)(C)C(OC(C)=O)CCC5(C)C4C(=O)C=C32)CC1
|
|
| MCULE-7414624056 |
0.73 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
|
|
| MCULE-5886720027 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)=O
|
|
| MCULE-3011305929 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H]
|
|
| MCULE-5533130729 |
0.73 |
C1C[C@@]2(C3C(=O)C=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@@]3(CCC2[C@]([C@@H]1OC(C)=O)(C(=O)O)C)C)(C)CC[C@@H](C)[C@@H]5C)C
|
|
| MCULE-7465845608 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
|
|
| MCULE-6800370955 |
0.73 |
C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-9824449913 |
0.73 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
|
|
| MCULE-9074787128 |
0.73 |
[C@]12([H])C(=O)C=C3[C@]4([H])[C@@H](C)[C@@H](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]21C)OC(=O)C)C)C
|
|
| MCULE-9952649566 |
0.73 |
CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
|
|
| MCULE-6309054443 |
0.73 |
C1=CC2C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-2555944797 |
0.73 |
CC1C(C2C=CCCCCC2)C(=O)CO1
|
|
| MCULE-8723675857 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-1684395189 |
0.73 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
|
|
| MCULE-7586213775 |
0.73 |
C12([H])CC(O)C3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8275410960 |
0.73 |
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
|
|
| MCULE-7240141445 |
0.73 |
[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-7406575942 |
0.73 |
C12(C)CC(=O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3552862554 |
0.73 |
C12CC(C(C(O)=O)C1C(OCC#C)=O)C=C2
|
|
| MCULE-2875423098 |
0.73 |
C12(C)C[C@H](C3C4(C)C=CC(=O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)COC(=O)C)O
|
|
| MCULE-3185796840 |
0.73 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8805854090 |
0.73 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-1716653767 |
0.73 |
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
|
|
| MolPort-035-836-438 |
0.73 |
CC(C)=CC1C(C(=O)OC2CCCCC2C#N)C1(C)C
|
|
| MolPort-009-015-246 |
0.73 |
COC(=O)CC[C@]1(C)[C@H]2CCC[C@H]3COC[C@@]23C(=O)C=C1C
|
|
| MolPort-003-892-390 |
0.73 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-506-971 |
0.73 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-507-401 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-945-214 |
0.73 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-002-510-540 |
0.73 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-044-755-247 |
0.73 |
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-046-596-237 |
0.73 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-525-134 |
0.73 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-044-649-740 |
0.73 |
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-044-724-662 |
0.73 |
CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
| MolPort-000-725-088 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-020-005-785 |
0.73 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-046-596-360 |
0.73 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-001-932-115 |
0.73 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-528-163 |
0.73 |
CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-046-690-258 |
0.73 |
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-046-598-125 |
0.73 |
CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-116-802 |
0.73 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-524-164 |
0.73 |
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-035-705-937 |
0.73 |
CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)=C1
|
|
| MolPort-046-596-253 |
0.73 |
CC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-002-519-875 |
0.73 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-039-052-437 |
0.73 |
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-046-697-238 |
0.73 |
CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
|
|
| MolPort-002-521-223 |
0.73 |
COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-832-304 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C
|
|
| MolPort-046-687-677 |
0.73 |
COC(=O)C1(CCC=CC1)C=O
|
|
| MolPort-046-596-392 |
0.73 |
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-002-507-122 |
0.73 |
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-003-666-150 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-002-527-626 |
0.73 |
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-002-528-836 |
0.73 |
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-002-506-876 |
0.73 |
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-001-510-492 |
0.73 |
OC(=O)C1C2CC(C=C2)C1C(=O)OCC#C
|
|
| MolPort-035-394-235 |
0.73 |
CC(=O)OCC(=O)C1(O)CCC2C1CC(O)C1C2CCC2=CC(=O)CCC12
|
|
| MolPort-000-823-748 |
0.73 |
COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-940-344 |
0.73 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC
|
|
| MolPort-002-506-884 |
0.73 |
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-005-933-841 |
0.73 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-002-511-796 |
0.73 |
COC(=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-757-138 |
0.73 |
OC(=O)C1[C@H]2C[C@H](C=C2)C1C(=O)OCC#C
|
|
| MolPort-001-740-055 |
0.73 |
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-000-207-694 |
0.73 |
COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-401 |
0.73 |
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-002-550-337 |
0.73 |
OC(=O)C1C2CC(C=C2)[C@@H]1C(=O)OCC#C
|
|
| MolPort-046-689-739 |
0.73 |
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
|
|
| MolPort-039-139-179 |
0.73 |
CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
|
|
| MolPort-002-911-110 |
0.73 |
C[C@@H]1CC2C3CCC4CC(=O)C=CC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(=O)COC(C)=O
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|
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0.73 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-003-927-107 |
0.73 |
CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-002-525-147 |
0.73 |
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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0.73 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
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| MolPort-022-366-438 |
0.73 |
CC1=CCC(CC1)C(O)=O
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|
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0.73 |
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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|
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0.73 |
CCCCCC\C=C/CCCCCCCCCC(=O)OC
|
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0.73 |
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-009-019-018 |
0.73 |
CCCCCCCC\C=C/CCCCCC(=O)OC
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| MolPort-003-933-240 |
0.73 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC
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|
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0.73 |
CC1=C(C)CC(CC1)C(O)=O
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|
| MolPort-001-741-050 |
0.73 |
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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0.73 |
CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
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|
| MolPort-003-916-055 |
0.73 |
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
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0.73 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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|
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0.73 |
CCCCCC\C=C\CCCCCCCC(=O)OC
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|
| MolPort-003-938-663 |
0.73 |
CCCC\C=C/CCCCCCCC(=O)OC
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0.73 |
CC1=CCC(C)(CC1)C(O)=O
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0.73 |
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-003-959-122 |
0.73 |
CCCCC\C=C/CCCCCCCCCCC(=O)OC
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0.73 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
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0.73 |
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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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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0.73 |
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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CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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CCCCCC\C=C\CCCCCCCCCC(=O)OC
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0.73 |
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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CCCCCCCCCCC\C=C/CCCCC(=O)OC
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CCCCCC\C=C/CCCCCCCC(=O)OC
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0.73 |
CC1=C(C)CC(C)(CC1)C(O)=O
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CCCCCCCC\C=C/CCCCCCCC(=O)OC
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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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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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CCCCCC\C=C/CCCCCCCCC(=O)OC
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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)OC[C@](C)(C=O)[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)CCC(=O)C(C)(C)[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)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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CCCCCCCCCCCCCC\C=C\CCCC(=O)OC
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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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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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CCCCCCCCC=CCCCCCCCC(=O)OC
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COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
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CC(=O)OC1CCC2C(=CCC3[C@@]2(C)CC[C@@]2(C)C4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C
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CCOC(=O)C1(CC(C)=C(C)CC1C(=O)OC(C)(C)C)C(=O)OCC
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CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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CC(=O)OC1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
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CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
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CC(=O)O[C@]1(C(C)=O)C(=C)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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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
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CC(=O)OC1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@]12C
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CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
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CCOC(=O)C1(CC(C)=C(C)CC1C(O)=O)C(=O)OCC
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CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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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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CC\C=C\CC1C(CC(=O)OC)CCC1=O
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OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
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CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O
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CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
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OC(=O)C1C2CCC(C=C2)C1C(O)=O
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CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
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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[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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CC(C)(C)C1CCC(CC1)OC(=O)C1CC=CCC1C(=O)OCC1CCCO1
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C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
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0.72 |
OC(C1(CC=CC1)CC1OCCC1)=O
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C1(C)(C)C(C)=CCC1CC(O)CC(=O)C(C)C(=O)OCC
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CC1OC(CC2(C(O)=O)CC=CC2)CC1
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0.72 |
OC(C1(CC=CC1)CC1OCCCC1)=O
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O=C1C=C(CCC2OCCCC2)CCC1
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C(=O)(OC(C)(C)C#C)C1CC(C)=CCC1C(O)=O
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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]
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CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C
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0.72 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
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0.72 |
C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C
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0.72 |
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
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C1(C(OCC)=O)(C(OCC)=O)CC(C)=C(CC1C(O)=O)C
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[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
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0.72 |
O=CC1(CCOCC1)CC1CC=CCC1
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C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
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O=C(CC1CCC(=O)C1CC=CCC)OC
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C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
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[C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
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C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
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0.72 |
C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
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|
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0.72 |
C12C(CCC(F)C=1)CC(C(OC)=O)C2
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0.72 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
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0.72 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21
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|
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0.72 |
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
|
|
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0.72 |
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-9439093573 |
0.72 |
[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
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|
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0.72 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
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|
| MCULE-5794443172 |
0.72 |
C(=O)(OC1CCC(CC1)C(C)(C)C)C1CC=CCC1C(=O)OCC1CCCO1
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C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
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0.72 |
C1C(C)C(C(O)=O)(C)C(C(OC)=O)CC=1
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|
| MCULE-7110389607 |
0.72 |
O=C1C=CC2(CCOCC2)CC1
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| MCULE-3889682039 |
0.72 |
C12(CC(OC1=O)=O)CCC(=C)C2(C)C
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|
| MCULE-4937005028 |
0.72 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
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|
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0.72 |
[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-7783529046 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-9803186551 |
0.72 |
[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-5585134478 |
0.72 |
[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-9558386116 |
0.72 |
[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-2339507429 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-6809618026 |
0.72 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
|
|
| MCULE-9006451734 |
0.72 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-1857694923 |
0.72 |
[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
|
|
| MCULE-7626806338 |
0.72 |
C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-1591807077 |
0.72 |
C1CC(OC(=O)C)CCC=C1
|
|
| MCULE-5677861178 |
0.72 |
[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
|
|
| MCULE-5757363366 |
0.72 |
C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
|
|
| MCULE-2570487264 |
0.72 |
OC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-3023348221 |
0.72 |
C1(C)(CC2CC1C=C2)C(O)=O
|
|
| MCULE-8698149631 |
0.72 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)OC(CC)=O
|
|
| MCULE-2241145060 |
0.72 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-4281057656 |
0.72 |
C1=C(C)CC(C(COC(CCl)=O)C1C)C
|
|
| MCULE-1853650577 |
0.72 |
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-8277570953 |
0.72 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-3755877935 |
0.72 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4480469003 |
0.72 |
[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-3171114249 |
0.72 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3C(=CC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-5099122669 |
0.72 |
[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-1459395786 |
0.72 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-2356589109 |
0.72 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| 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-002-527-896 |
0.72 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
|
|
| MolPort-023-198-070 |
0.72 |
O=C1CCC2(CCOCC2)C=C1
|
|
| 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-002-515-580 |
0.72 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
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|
| MolPort-039-052-567 |
0.72 |
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-003-958-686 |
0.72 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO
|
|
| MolPort-002-507-153 |
0.72 |
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-046-596-240 |
0.72 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CO
|
|
| MolPort-046-426-236 |
0.72 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-044-727-765 |
0.72 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-000-826-425 |
0.72 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-690-071 |
0.72 |
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
|
|
| MolPort-006-114-478 |
0.72 |
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-046-762-479 |
0.72 |
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
|
|
| MolPort-001-827-091 |
0.72 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-426-235 |
0.72 |
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-007-980-861 |
0.72 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
|
|
| MolPort-002-529-504 |
0.72 |
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-006-112-040 |
0.72 |
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-003-892-477 |
0.72 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-765-474 |
0.72 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-551-593 |
0.72 |
CC1CC(C)=CC(C)C1COC(=O)CCl
|
|
| MolPort-000-653-714 |
0.72 |
OC(=O)C1CC2CC1C=C2
|
|
| MolPort-002-481-549 |
0.72 |
CC1(C[C@@H]2C[C@H]1C=C2)C(O)=O
|
|
| MolPort-003-855-481 |
0.72 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC
|
|
| MolPort-003-987-065 |
0.72 |
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-002-510-337 |
0.72 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-000-145-710 |
0.72 |
CC1(CC2CC1C=C2)C(O)=O
|
|
| MolPort-035-706-383 |
0.72 |
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
|
|
| MolPort-046-627-162 |
0.72 |
CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
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|
| MolPort-002-510-720 |
0.72 |
CCC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-046-761-019 |
0.72 |
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
|
|
| MolPort-002-826-614 |
0.72 |
CC(C)CCCC(C)C1CC[C@@H]2C3CC=C4C[C@@H](CCC4(C)[C@@H]3CCC12C)OC(=O)C(C)C
|
|
| MolPort-028-745-366 |
0.72 |
CC(C)=CCCC1=CCC(CC1)C(O)=O
|
|
| MolPort-001-794-998 |
0.72 |
OC(=O)[C@H]1C[C@H]2C[C@@H]1C=C2
|
|
| MolPort-001-792-423 |
0.72 |
OC(=O)C1C[C@H]2C[C@@H]1C=C2
|
|
| MolPort-000-295-000 |
0.72 |
CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-039-333-691 |
0.72 |
OC(=O)[C@H]1C[C@@H]2C[C@H]1C=C2
|
|
| MolPort-001-794-999 |
0.72 |
OC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
| MolPort-006-121-818 |
0.72 |
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 |
0.72 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
|
|
| MolPort-019-936-929 |
0.72 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
|
|
| MolPort-019-937-189 |
0.72 |
CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-002-799-473 |
0.72 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MolPort-002-529-150 |
0.72 |
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 |
0.72 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
|
|
| MolPort-039-338-947 |
0.71 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-023-221-722 |
0.71 |
COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-683-773 |
0.71 |
FC1(F)CC(C2CC22C3C=CC2C2C3C(=O)OC2=O)C1(F)F
|
|
| MolPort-044-811-193 |
0.71 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(CO)C=C4C=O
|
|
| MolPort-009-019-637 |
0.71 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-001-762-096 |
0.71 |
CC(C)(C)CC(=C)CC1CC(=O)OC1=O
|
|
| MolPort-000-207-693 |
0.71 |
COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-027-853-593 |
0.71 |
CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-002-514-753 |
0.71 |
COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-682-815 |
0.71 |
C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
|
|
| MolPort-001-538-068 |
0.71 |
OC(=O)C1C2CC(C=C2)C1C(=O)OCC1CCCO1
|
|
| MolPort-002-513-028 |
0.71 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC
|
|
| MolPort-027-640-876 |
0.71 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-002-841-870 |
0.71 |
CC(=O)OC1CCC2C3CC=C4C[C@](C)(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-501-633 |
0.71 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-044-723-187 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-000-830-370 |
0.71 |
CC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-295-003 |
0.71 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-525-850 |
0.71 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-003-891-594 |
0.71 |
CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
|
|
| MolPort-002-520-667 |
0.71 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-506-890 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-006-116-362 |
0.71 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-000-722-953 |
0.71 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
|
|
| MolPort-023-314-383 |
0.71 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](OC(C)=O)C4(C)C)[C@]3(C)CC[C@@]21C
|
|
| MolPort-039-338-173 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-003-803-623 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)CCCC4C3CC=C2C1
|
|
| MolPort-046-766-245 |
0.71 |
CC(CO)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-003-855-523 |
0.71 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-044-723-188 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-002-509-518 |
0.71 |
CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-002-525-741 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@@H](O)CCC4[C@@H]3CC=C2C1
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|
| MolPort-002-911-161 |
0.71 |
CC(=O)OC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-001-740-719 |
0.71 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-006-668-365 |
0.71 |
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-000-827-350 |
0.71 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
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0.71 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-889-412 |
0.71 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-044-755-192 |
0.71 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-001-742-409 |
0.71 |
COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4
|
|
| MolPort-002-527-905 |
0.71 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-530-229 |
0.71 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-035-706-389 |
0.71 |
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-044-649-711 |
0.71 |
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-019-937-217 |
0.71 |
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-035-706-388 |
0.71 |
CC1(C)CC[C@@]2(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)C(O)=O
|
|
| MolPort-044-183-134 |
0.71 |
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)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-019-937-078 |
0.71 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-035-706-386 |
0.71 |
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-001-798-161 |
0.71 |
CC(CCOC(=O)C(C)C)CCC=C(C)C
|
|
| MolPort-042-675-461 |
0.71 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-001-740-467 |
0.71 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
|
|
| MolPort-029-996-102 |
0.71 |
COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-039-338-353 |
0.71 |
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)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-028-599-905 |
0.71 |
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)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-021-783-255 |
0.71 |
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)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-006-111-348 |
0.71 |
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-046-201-849 |
0.71 |
COC(=O)C1CCC=CCC1
|
|
| MolPort-002-524-878 |
0.71 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC(O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-762-885 |
0.71 |
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-020-005-953 |
0.71 |
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)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-029-996-101 |
0.71 |
COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MCULE-3687395332 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCC(=O)OC3CCC4(C(=CCC5C4CCC4(C5CCC4C(C)CCCC(C)C)C)C3)C)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7356333105 |
0.71 |
C([C@H]1CCC(=O)[C@@H]1CCCCCCC(OC)=O)=C[C@H](CCCCC)O
|
|
| MCULE-6763677636 |
0.71 |
C12(CC1C1CC(C1(F)F)(F)F)C1C=CC2C2C1C(=O)OC2=O
|
|
| MCULE-8871081540 |
0.71 |
O=C1CC(CC(=C)CC(C)(C)C)C(=O)O1
|
|
| MCULE-6711156232 |
0.71 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-3213917419 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)(CC1C3(C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC23)O1)[H]
|
|
| MCULE-5275306349 |
0.71 |
C12CC(C(C(=O)OCC3CCCO3)C1C(O)=O)C=C2
|
|
| MCULE-5380264709 |
0.71 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
|
|
| MCULE-5828095144 |
0.71 |
[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-1316729655 |
0.71 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-5587193921 |
0.71 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-9241147162 |
0.71 |
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-6330480709 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-3027567956 |
0.71 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-9703213540 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C=CCC4C3CC=C2C1
|
|
| MCULE-7757466005 |
0.71 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@@H]2[C@H](C)C=C[C@@H](CC)C(C)C
|
|
| MCULE-2328694476 |
0.71 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MCULE-8641360664 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(O)CCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-5953628396 |
0.71 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C)=O
|
|
| MCULE-3331989617 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-4320332467 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(C)C(C)C)CCC4C3CC=C2C1
|
|
| MCULE-7413623623 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4346215084 |
0.71 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C)=O
|
|
| MCULE-1546940698 |
0.71 |
C12CCC3(C)C(CCC3C1CC=C1CC(CCC21C)OC(=O)C)OC(=O)C
|
|
| MCULE-2754730792 |
0.71 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)=O
|
|
| MCULE-7858992757 |
0.71 |
[C@@]12(C)CCC[C@@](C)(COC(CCC(OC)=O)=O)C1CCC13C[C@](C=C1)(C)CCC32
|
|
| MCULE-3496812213 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(CC)C(C)C
|
|
| MCULE-7842753172 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)O
|
|
| MCULE-5473746623 |
0.71 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)OC(C)=O
|
|
| MCULE-2659782471 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-3117776619 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)=CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-2069877830 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
|
|
| MCULE-3254382141 |
0.71 |
C12(C)CCC(OC(C)=O)CC1=CCC1C2CCC2(C)C1CCC2=CC
|
|
| MCULE-2048707819 |
0.71 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C
|
|
| MCULE-7999402217 |
0.71 |
[C@]12(C)CC[C@](CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)(C)OC(C)=O
|
|
| MCULE-1825345202 |
0.71 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3=CCC(C(C)C=CC(C)C(C)C)C3(C)CCC=12)[H]
|
|
| MCULE-1780641937 |
0.71 |
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-2299251979 |
0.71 |
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-2675118265 |
0.71 |
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-1602610126 |
0.71 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
|
|
| MCULE-6436563816 |
0.71 |
C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
|
|
| MCULE-9211922250 |
0.71 |
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-7633761938 |
0.71 |
C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
|
|
| MCULE-9460712409 |
0.71 |
C(OCCC(C)CC/C=C(\C)/C)(CC)=O
|
|
| MCULE-1067283755 |
0.71 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-3171016035 |
0.71 |
C1CCC2C(C(O)=O)C2C=CC1
|
|
| MCULE-9876206397 |
0.71 |
O=C(OCCC(C)CC/C=C(\C)/C)C(C)C
|
|
| MCULE-8621711737 |
0.71 |
C12([H])CCC=CCCC1(C2C(OC)=O)[H]
|
|
| MCULE-3614931522 |
0.71 |
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-3800481886 |
0.71 |
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-7087584399 |
0.71 |
C(OCCCCCCC)(CCCCCCCCC=C)=O
|
|
| MCULE-6409888378 |
0.71 |
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-8297229450 |
0.71 |
C12C[C@H]3[C@@H](C[C@H](C)[C@]1([H])CC(=O)C=2C)OC(=O)C3=C
|
|
| MCULE-9560204706 |
0.71 |
C12(C)CCC3C(CC=C4CCC(OC(=O)CCCl)CC34C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3559486806 |
0.71 |
C(C1CCC=CC1)(=O)OC(CCl)CCl
|
|
| MCULE-4461233711 |
0.71 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC=C2C(C)=O
|
|
| MCULE-4552395900 |
0.71 |
C(=O)(OC(CCl)CCl)C1(C)CCC=CC1
|
|
| MCULE-4967331616 |
0.71 |
OC(C1(C2CCOCC2)CC=CC1)=O
|
|
| MCULE-2016404995 |
0.71 |
C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
|
|
| MCULE-7768501355 |
0.71 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7818387200 |
0.71 |
C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O
|
|
| MCULE-5823109002 |
0.71 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-1344501658 |
0.71 |
C1=CC2C3C=C(C#N)C3C1C1C(=O)OC(=O)C21
|
|
| MCULE-6120787334 |
0.71 |
C12CC34CCCCC3(C=C1)C4C(=O)O2
|
|
| MCULE-6534243824 |
0.71 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-9186876350 |
0.71 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-5176587980 |
0.71 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-5018857376 |
0.71 |
[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-2871410677 |
0.71 |
C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O)OC(C)=O
|
|
| MCULE-8553893906 |
0.71 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
|
|
| MCULE-6651693585 |
0.71 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-5067610229 |
0.71 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-9656320194 |
0.71 |
C1(CC=CCC1C(OCCCCCl)=O)C(OCCCCCl)=O
|
|
| MCULE-7796031571 |
0.71 |
C1(CCCCC1C1CCCCC=1)OC(C)=O
|
|
| MCULE-2519092915 |
0.71 |
C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
|
|
| MCULE-8374344586 |
0.71 |
O=C1C(CCC2CCCCC=2)COC1
|
|
| MCULE-7060204243 |
0.71 |
CC1C(CCC2CCCCC=2)C(=O)CO1
|
|
| MCULE-1642216097 |
0.71 |
C([H])(CCCCOC(C)=O)=C(CCCC)[H]
|
|
| MCULE-2538735041 |
0.71 |
C(OCCC(C)CC/C=C(\C)/C)(C)=O
|
|
| MCULE-8469102313 |
0.71 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-8359993163 |
0.71 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-9925372485 |
0.71 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-1917377062 |
0.71 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C)C(OC)=O)C4(C)CC=3)=CCC2(O)C1
|
|
| MCULE-1835452878 |
0.71 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-4246019761 |
0.71 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-5307843642 |
0.71 |
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
|
|
| MCULE-4484538949 |
0.71 |
C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
|
|
| MCULE-4329306127 |
0.71 |
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-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-5966997792 |
0.71 |
[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-3402569698 |
0.71 |
C1C2COC(=O)C2C(C(O)=O)C(C)C=1
|
|
| MolPort-027-720-870 |
0.71 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
|
|
| MolPort-010-969-350 |
0.71 |
CC1CCC[C@]2(C)CC3OC(=O)C(=C)C3C=C12
|
|
| MolPort-001-942-709 |
0.71 |
CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12
|
|
| MolPort-001-742-421 |
0.71 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
|
|
| MolPort-020-005-696 |
0.71 |
C[C@@H]1CCC[C@@]2(C)C[C@@H]3OC(=O)C(=C)[C@@H]3C=C12
|
|
| MolPort-002-511-342 |
0.71 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-002-522-872 |
0.71 |
CCOC(=O)[C@@]1(C)CC2C3=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
|
|
| MolPort-030-082-247 |
0.71 |
CC(C)CCCC(C)C1CCC2C3CC=C4CCC(CC4(C)C3CCC12C)OC(=O)CCCl
|
|
| MolPort-002-514-801 |
0.71 |
CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-046-790-501 |
0.71 |
CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1)C(O)=O
|
|
| MolPort-000-727-845 |
0.71 |
CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-006-126-540 |
0.71 |
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 |
0.71 |
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-046-793-021 |
0.71 |
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-002-507-127 |
0.71 |
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
|
|
| MolPort-042-644-560 |
0.71 |
CC(=O)O[C@@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-509-571 |
0.71 |
CC(=O)O[C@@]1(CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-030-042-307 |
0.71 |
CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-029-999-375 |
0.71 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-007-568-898 |
0.71 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-511-603 |
0.71 |
C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
|
|
| MolPort-044-545-969 |
0.71 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
|
|
| MolPort-002-800-509 |
0.71 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-006-110-824 |
0.71 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
|
|
| MolPort-001-921-995 |
0.71 |
CC(=O)OC1CCCCC1C1=CCCCC1
|
|
| MolPort-006-111-530 |
0.71 |
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-006-118-258 |
0.71 |
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-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-006-127-789 |
0.71 |
CCCC\C=C\CCCCOC(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-002-527-825 |
0.71 |
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-007-980-860 |
0.71 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(C)=O
|
|
| MolPort-046-596-386 |
0.71 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-001-815-959 |
0.71 |
CC(CCOC(C)=O)CCC=C(C)C
|
|
| MolPort-046-596-362 |
0.71 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-035-706-373 |
0.71 |
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
|
|
| MolPort-039-338-615 |
0.70 |
C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-000-832-360 |
0.70 |
CC1(C)CCCC2=C1CC(C(C2)C(O)=O)C(O)=O
|
|
| MolPort-002-159-548 |
0.70 |
CCCCC1(CC(C)=C(C)CC1C(O)=O)C(O)=O
|
|
| MolPort-002-017-775 |
0.70 |
OC(=O)C1CC2C=CC1C21CC1
|
|
| MolPort-002-130-596 |
0.70 |
CC1=CC(C)(C)C(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-039-052-574 |
0.70 |
CC(C)=CCCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
|
|
| MolPort-027-853-644 |
0.70 |
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
|
|
| MolPort-002-114-330 |
0.70 |
CC1C=C(C)CC(C1C(O)=O)C(O)=O
|
|
| MolPort-005-945-029 |
0.70 |
CCC=CCC1=C(CCCCC(CCC(O)=O)OC(C)=O)CCC1=O
|
|
| MolPort-020-394-333 |
0.70 |
CCOC(=O)C1CCC(Br)=CC1
|
|
| MolPort-006-668-331 |
0.70 |
CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-035-705-809 |
0.70 |
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C
|
|
| MolPort-002-537-072 |
0.70 |
COC(=O)C1CC=CCC1C(O)=O
|
|
| MolPort-003-666-830 |
0.70 |
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
|
|
| MolPort-023-279-066 |
0.70 |
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-039-138-844 |
0.70 |
CCCCC(C)(O)C\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
|
|
| MolPort-009-019-195 |
0.70 |
CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)OCC
|
|
| MolPort-003-849-235 |
0.70 |
CCCC[C@](C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
|
|
| MolPort-009-018-343 |
0.70 |
CCCCC(C)(O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(=O)OC
|
|
| MolPort-039-013-287 |
0.70 |
COC(=O)[C@@H]1CC=CC[C@H]1C(O)=O
|
|
| MolPort-009-018-236 |
0.70 |
CCCCC(C)(O)C\C=C\[C@H]1C(O)CC(=O)[C@H]1CCCCCCC(=O)OC
|
|
| MolPort-046-763-157 |
0.70 |
CCCCC(C)(O)C\C=C\[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC
|
|
| MolPort-001-781-536 |
0.70 |
COC(=O)[C@H]1CC=CC[C@H]1C(=O)OC
|
|
| MolPort-019-993-145 |
0.70 |
COC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC
|
|
| MolPort-003-931-071 |
0.70 |
COC(=O)[C@H]1CC=CC[C@H]1C(O)=O
|
|
| MolPort-044-183-181 |
0.70 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-005-940-683 |
0.70 |
C[C@]12C[C@@H](O)C3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-027-836-480 |
0.70 |
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-035-394-990 |
0.70 |
CC12CC(O)C3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-006-119-000 |
0.70 |
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-004-831-232 |
0.70 |
CC1=CCC(COC(=O)CCl)CC1
|
|
| MolPort-027-720-550 |
0.70 |
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-046-687-432 |
0.70 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-046-762-590 |
0.70 |
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 |
0.70 |
C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC=C2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-039-052-678 |
0.70 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-002-509-471 |
0.70 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-001-742-429 |
0.70 |
C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-038-386-730 |
0.70 |
C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MCULE-2890104276 |
0.70 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)(C#C)OC(C)=O
|
|
| MCULE-4551637584 |
0.70 |
C1CC2(C)C3C(OC)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1OC(=O)C
|
|
| MCULE-4891300242 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(OC(C)=O)C#C)[H]
|
|
| 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-9767919428 |
0.70 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(OC(C)=O)C#C)[H]
|
|
| MCULE-9416273604 |
0.70 |
CC1(CC[C@@]2(C(=O)O)[C@H](C3=C(CC2)[C@@]2(CC[C@H]4[C@@](C(=O)O)(C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]2CC3)C)C1)C
|
|
| MCULE-7614468328 |
0.70 |
O1C(=O)C(CC(C)=C)CC1=O
|
|
| MCULE-1049317957 |
0.70 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)C(=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-1401500807 |
0.70 |
O=C1C(CC2CC=CCC2)COCC1
|
|
| MCULE-8209146843 |
0.70 |
[C@@H]1(O)C[C@]2(C)C[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-9966885116 |
0.70 |
[C@@H]1(O)CC2(C3CC=C4C5C(C)C(=C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)[C@H]1O)C
|
|
| MCULE-7221302841 |
0.70 |
CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
|
|
| MCULE-1052258564 |
0.70 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
|
|
| MCULE-4613990318 |
0.70 |
O=C1CCC2(C)C3C(CC4(C)C(O)(CCC4C3CCC2=C1)C(COC(C)=O)([H])OC(C)=O)=O
|
|
| MCULE-2307310731 |
0.70 |
[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-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-3859706810 |
0.70 |
[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-3492234187 |
0.70 |
O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
|
|
| MCULE-8283490875 |
0.70 |
CCOC(C1([C@@H]2C=C[C@@H](C2)C1)N)=O
|
|
| MCULE-5041290339 |
0.70 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
|
|
| MCULE-7057727038 |
0.70 |
C1(CC(C)=CC(C)C1C(OCC[NH+](C)C)=O)C(=O)[O-]
|
|
| MCULE-2779175760 |
0.70 |
C12C(C)(C)CCCC=1CC(C(O)=O)C(C(OCCN(C)C)=O)C2
|
|
| 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-7639346141 |
0.70 |
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
|
|
| MCULE-4300685547 |
0.70 |
C1(C)C(C)C(CC(=O)CC(=O)OCC)C(=O)C=1
|
|
| MCULE-6862787283 |
0.70 |
O=C(C(C1CCC=C1)C(OCC)=O)OCC
|
|
| MCULE-1938313770 |
0.70 |
O=C1C2C3CC(C4C3O4)C2C(C2C3CC(C=C3)C21)=O
|
|
| MCULE-4280394560 |
0.70 |
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-4272187140 |
0.70 |
C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-4874634113 |
0.70 |
C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-4609643145 |
0.70 |
C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
|
|
| MCULE-8052468805 |
0.70 |
C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
|
|
| MCULE-9137191737 |
0.70 |
C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
|
|
| MCULE-5031139336 |
0.70 |
C12(C3C=CC1C(C3)C(O)=O)CC2
|
|
| MCULE-2593667564 |
0.70 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-9560150043 |
0.70 |
C1=CCC2(C(C1)(C(OC)=O)CCCC2)C#N
|
|
| MCULE-6902134774 |
0.70 |
BrC1CCC(C(OCC)=O)CC=1
|
|
| MCULE-8652873501 |
0.70 |
C1C(CCCCC(CCC(=O)O)OC(=O)C)=C(C(C1)=O)CC=CCC
|
|
| MCULE-9715251524 |
0.70 |
C1(CC2CCC1(OC)C=C2)C(OC)=O
|
|
| MCULE-1524945873 |
0.70 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
|
|
| MCULE-4264397804 |
0.70 |
COC([C@@]1(CC=CC[C@]1(C(OC)=O)[H])[H])=O
|
|
| MCULE-4860470388 |
0.70 |
O(C)C([C@@H]1CC=CC[C@H]1C(=O)O)=O
|
|
| MCULE-1774826218 |
0.70 |
C1CC(C)(C(O)=O)C(C(OC)=O)([H])CC=1
|
|
| MCULE-7179291516 |
0.70 |
[C@@H]1(CC=CC[C@H]1C(=O)O)C(=O)OC
|
|
| MCULE-6283271359 |
0.70 |
[C@H]1(CCCCCCC(=O)OC)C(=O)C[C@@H](O)[C@@H]1C=CC[C@@](C)(O)CCCC
|
|
| MCULE-8220415981 |
0.70 |
[C@@H]1(CC=CC[C@H]1C(=O)OC)C(=O)OC
|
|
| MCULE-8590044340 |
0.70 |
C1(CC=CCC1C(OC)=O)C(O)=O
|
|
| MCULE-4660002495 |
0.70 |
COC([C@@]1(CC=CC[C@]1(C(O)=O)[H])[H])=O
|
|
| MCULE-5302779679 |
0.70 |
CC1OCC(C(CC2CC=CCC2)=O)C1
|
|
| MCULE-2841725041 |
0.70 |
O=C(C1C2C1COC2)CC1CC=CCC1
|
|
| MCULE-9320911552 |
0.70 |
CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
|
|
| MCULE-7688397006 |
0.70 |
O(C)C([C@@H]1CC=CC[C@H]1C(=O)OC)=O
|
|
| MCULE-7840184850 |
0.70 |
CC1C(C(CC2CC=CCC2)=O)CCO1
|
|
| MCULE-4219960237 |
0.70 |
[C@@H]1(C(OC)=O)CC=CC[C@H]1C(O)=O
|
|
| MCULE-7378412710 |
0.70 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CC(OCCC(O)=O)=O
|
|
| MCULE-4444238402 |
0.70 |
C12C3C(C)(CCC(C)(C(OCCCN(C)C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-8380731028 |
0.70 |
C12[C@@H](C)C[C@@H](C[C@]1(C)C[C@@H]1[C@H](C=2)C(=C)C(O1)=O)O
|
|
| MCULE-4749657700 |
0.70 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)(O)C=C)OC(=O)C
|
|
| MCULE-4935129848 |
0.70 |
C12=CC[C@]3(C(CC[C@]3(O)C(=O)COC(C)=O)C1CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-6360105150 |
0.70 |
O=C1C(CC2CCCC=2)COC1
|
|
| MCULE-2633316845 |
0.70 |
C(CCl)(OCC1CCC(=CC1)C)=O
|
|
| MCULE-4238406785 |
0.70 |
CC1C(CC2CCCC=2)C(=O)CO1
|
|
| MCULE-2156810295 |
0.70 |
[C@]12(C)CCC(C=C1[C@@H](C)CC1C3[C@@](C)([C@@](CC3)(O)C(=O)COC(C)=O)CC=C21)=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-8954390569 |
0.70 |
C=C1C(=O)OC[C@]2(CCC[C@@]3(C[C@@H](O)[C@@H]1C=C23)C)[H]
|
|
| MCULE-1327799211 |
0.70 |
C12C3C=CC4C(=O)OC3C1C=CC24
|
|
| MCULE-2074166404 |
0.70 |
C12C3C1C=CC1C(=O)OC2C1C=C3
|
|
| 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-6089943254 |
0.70 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
|
|
| MCULE-7361055399 |
0.70 |
CC12C3C(O)CC4(C)C5(OC(=O)CC5)CCC4C3C=CC1=CC(=O)CC2
|
|
| MCULE-4800012179 |
0.70 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| 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-5086433803 |
0.70 |
CC1[C@@H]2CC([C@@]3([C@@H]([C@@]2(C)[C@H](O)C(=O)C=1)[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@H]1C)C)=O
|
|
| MCULE-4325006445 |
0.70 |
[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-8187072901 |
0.70 |
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-6263626972 |
0.70 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@@]2([H])C(C)=C1
|
|
| MCULE-7919520627 |
0.70 |
[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-7490760496 |
0.70 |
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-6317272202 |
0.70 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-4023009546 |
0.70 |
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-8509022096 |
0.70 |
[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-8715136205 |
0.70 |
C(=O)(OC(C)(C)C)C1CCC(=C)C1
|
|
| MCULE-7057445911 |
0.70 |
C12C(C=CC1)C2C(O)=O
|
|
| MCULE-7400247321 |
0.70 |
C12C=CC(C)C1C2C(O)=O
|
|
| MCULE-2374686913 |
0.70 |
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
|
|
| MCULE-8156048097 |
0.70 |
[C@]12(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OC(C)=O)C#C
|
|
| 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-6219663141 |
0.70 |
C#C[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1)OC(=O)C
|
|
| MCULE-7772391429 |
0.70 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-6655080690 |
0.70 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@@]2(OC(C)=O)C#N)C)=O
|
|
| 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-9952768892 |
0.70 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| 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-9685471149 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-3922449822 |
0.70 |
O=C1C2CC(C=CC2)O1
|
|
| 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-5798924533 |
0.70 |
[C@]12(C)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C#C)OC(=O)C
|
|
| 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
|
|
| MolPort-039-052-556 |
0.70 |
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-046-765-459 |
0.70 |
C[C@]12C[C@H]3O[C@]33C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](CC1=CC(=O)CC[C@@]31C)C(O)=O
|
|
| MolPort-039-338-915 |
0.70 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)C2CC1=O
|
|
| MolPort-019-937-059 |
0.70 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2CC1=O
|
|
| MolPort-035-706-335 |
0.70 |
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-035-705-935 |
0.70 |
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-006-111-539 |
0.70 |
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-046-703-304 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-035-706-502 |
0.70 |
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
|
|
| MolPort-039-338-358 |
0.70 |
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
|
|
| MolPort-046-594-086 |
0.70 |
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-006-112-162 |
0.70 |
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
|
|
| MolPort-035-706-326 |
0.70 |
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
|
|
| MolPort-019-937-248 |
0.70 |
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-006-120-069 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
|
|
| MolPort-027-640-913 |
0.70 |
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-046-762-004 |
0.70 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
|
|
| MolPort-039-052-607 |
0.70 |
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-044-562-012 |
0.70 |
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-006-129-942 |
0.70 |
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-039-338-094 |
0.70 |
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
|
|
| MolPort-039-052-646 |
0.70 |
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
|
|
| 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-003-901-032 |
0.70 |
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
|
|
| MolPort-000-714-663 |
0.70 |
CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CCC12C)C#C
|
|
| MolPort-005-936-166 |
0.70 |
O=C1OC2CC1CC=C2
|
|
| MolPort-002-507-141 |
0.70 |
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
|
|
| MolPort-002-510-343 |
0.70 |
CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C#N
|
|
| MolPort-030-042-309 |
0.70 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C#C
|
|
| MolPort-001-742-676 |
0.70 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| 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-044-637-543 |
0.70 |
COC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C12
|
|
| MolPort-002-509-456 |
0.70 |
CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@]12C)C#C
|
|
| 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-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-027-847-574 |
0.70 |
CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C#C
|
|
| MolPort-046-596-294 |
0.70 |
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| 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-002-525-199 |
0.70 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MolPort-044-567-562 |
0.70 |
CCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
|
|
| MolPort-046-596-416 |
0.70 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-420 |
0.70 |
CCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-706-562 |
0.70 |
C[C@H]1[C@H]2C[C@H]3C(=C)C[C@H](O)C[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-028-610-006 |
0.70 |
CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O
|
|
| MolPort-046-508-487 |
0.70 |
COCC1(CCC=CC1)C(O)=O
|
|
| MolPort-039-338-865 |
0.70 |
CC1(C)CC[C@@]2(CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-594-247 |
0.70 |
CC1(C)CCC2(CCC3=C(CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O
|
|
| MolPort-001-801-286 |
0.70 |
CC(=C)CC1CC(=O)OC1=O
|
|
| MolPort-035-706-461 |
0.70 |
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O
|
|
| MolPort-002-508-543 |
0.70 |
C[NH+](C)CCOC(=O)C1CC2=C(CCCC2(C)C)CC1C([O-])=O
|
|
| MolPort-002-509-481 |
0.70 |
CN(C)CCOC(=O)C1CC2=C(CC1C(O)=O)C(C)(C)CCC2
|
|
| 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-044-721-951 |
0.70 |
CC1C=C(C)CC(C1C(=O)OCCN(C)C)C(O)=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-001-898-318 |
0.70 |
CN(C)CCOC(=O)C1CC2=C(CCCC2(C)C)CC1C(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-002-610-831 |
0.70 |
CC1C=C(C)CC(C1C(=O)OCC[NH+](C)C)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-046-689-953 |
0.70 |
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-035-706-200 |
0.70 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C
|
|
| MolPort-044-755-250 |
0.70 |
CC(=O)OCC(OC(C)=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-003-941-574 |
0.70 |
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-044-649-750 |
0.69 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@](C)(COC(C)=O)C=C5COC(C)=O)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-044-811-203 |
0.69 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4C#N
|
|
| MolPort-002-911-119 |
0.69 |
CC(C)CCCC(C)C1CCC2C3CC(OC(C)=O)C4(C)CC(O)CCC4=C3CCC12C
|
|
| MolPort-002-911-120 |
0.69 |
CC(=O)OC1CCC2=C3CCC4(C)CCCC4C3CC(OC(C)=O)C2(C)C1
|
|
| MolPort-007-980-916 |
0.69 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-002-514-284 |
0.69 |
CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
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|
| MolPort-005-944-946 |
0.69 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
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|
| MolPort-046-684-155 |
0.69 |
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
|
|
| MolPort-005-945-167 |
0.69 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
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|
| MolPort-035-706-215 |
0.69 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-046-594-420 |
0.69 |
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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| MolPort-039-052-352 |
0.69 |
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
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| MolPort-044-649-748 |
0.69 |
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
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|
| MolPort-002-507-180 |
0.69 |
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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|
| MolPort-020-005-946 |
0.69 |
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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| MolPort-002-524-375 |
0.69 |
C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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|
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0.69 |
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
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|
| MolPort-001-633-124 |
0.69 |
CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
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| MolPort-044-559-975 |
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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
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| MolPort-001-741-220 |
0.69 |
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
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| MolPort-039-339-172 |
0.69 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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0.69 |
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
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| MolPort-044-193-687 |
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
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|
| MolPort-006-393-913 |
0.69 |
CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
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| MolPort-001-741-330 |
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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)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
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|
| MolPort-044-649-596 |
0.69 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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| MolPort-039-052-476 |
0.69 |
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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0.69 |
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
|
|
| MCULE-3449163128 |
0.69 |
C(CC)(C(=O)OCC)(C(=O)OCC)CCCCCCCCC=CCCCCCCCC
|
|
| MCULE-3130717641 |
0.69 |
CC(C1(C(=O)OCC1)CC1CC=CC1)=O
|
|
| MCULE-6499205732 |
0.69 |
O=C1C=C(CCC2OCCCC2)CC1
|
|
| MCULE-8386752633 |
0.69 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-9352894910 |
0.69 |
C12CC(C3(C)CC(CCC3=C1CCC1(C)C(CCC21)C(C)CCCC(C)C)O)OC(=O)C
|
|
| MCULE-3323781979 |
0.69 |
C12CC(C3(C)CC(CCC3=C1CCC1(C)CCCC21)OC(=O)C)OC(=O)C
|
|
| MCULE-7708235386 |
0.69 |
OC(C1(CC=CC1)CC1CC=CCC1)=O
|
|
| MCULE-4464120365 |
0.69 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-2451101251 |
0.69 |
C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
|
|
| MCULE-1939531919 |
0.69 |
CC1CC(C(O)=O)(C2C=CCCC2)C1
|
|
| MCULE-8750855908 |
0.69 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-1028193763 |
0.69 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-3616070284 |
0.69 |
C1(=O)OC2CCCCC=2CC1
|
|
| MCULE-8753646114 |
0.69 |
[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-9530980879 |
0.69 |
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-8302542414 |
0.69 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H]
|
|
| MCULE-3521793580 |
0.69 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-8218872905 |
0.69 |
[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-3370825749 |
0.69 |
[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
|
|
| MCULE-3716742475 |
0.69 |
[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-9439877737 |
0.69 |
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-8058775334 |
0.69 |
C12(C)CCC(C=C1C=CC1([H])C3(C(C)(C4(CC3)CCC(=O)O4)CCC12[H])[H])=O
|
|
| MCULE-3491107929 |
0.69 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(OC(C)=O)C1OC1(C)C
|
|
| MCULE-4522488137 |
0.69 |
[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-6952042862 |
0.69 |
C(CCCCC)=CCC=CCC=CCC=CCCCCOC(C)=O
|
|
| MCULE-6286274264 |
0.69 |
C(OCC)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
|
|
| MCULE-3885425015 |
0.69 |
[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-1245334026 |
0.69 |
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-1291038880 |
0.69 |
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-9485946749 |
0.69 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-6218547779 |
0.69 |
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-2106875127 |
0.69 |
O=C(C1C2C=CC(C2)C1)OCC1=CC=CC=C1
|
|
| MCULE-1906795397 |
0.69 |
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-2014104728 |
0.69 |
[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-3066550157 |
0.69 |
[C@@]12(C)CC[C@@]3(C([C@H](C(C)=C)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(CCC(O)=O)=O)C2(C)C)C(O)=O
|
|
| MCULE-1292561691 |
0.69 |
CC1C(C(CC2CC=CCC2)=O)OCC1
|
|
| MCULE-5486393555 |
0.69 |
C(OC)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-6077958460 |
0.69 |
C(OC)(CC1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-8373483440 |
0.69 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C(=O)O)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1OC(=O)CC(C)(C(=O)O)C)C
|
|
| MCULE-9817931097 |
0.69 |
O1C(=O)C2CC(=C)CC2C1=O
|
|
| MCULE-2591985853 |
0.69 |
CC1(C(CC2CC=CCC2)=O)OCCC1
|
|
| MCULE-2321781017 |
0.69 |
CC1OC(C(CC2CC=CCC2)=O)CC1
|
|
| MCULE-2664519273 |
0.69 |
O=C1C(CC2C3C=CC(CC3)C2)COC1
|
|
| MCULE-1897292950 |
0.69 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)[C@H](O)[C@@]2([H])C(C)=C1
|
|
| MCULE-1444566715 |
0.69 |
C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)C1)=O
|
|
| MCULE-4777670330 |
0.69 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-2319475587 |
0.69 |
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 |
0.69 |
[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-6443674630 |
0.69 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7854744392 |
0.69 |
[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-9846233643 |
0.69 |
C(CCCCC/C=C\CCCCCCCC)CC(OCC(CO)O)=O
|
|
| MCULE-8232106197 |
0.69 |
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O
|
|
| MCULE-9843298388 |
0.69 |
C(CCCCCCCC=CCCCCCCCC)(OCC(CO)O)=O
|
|
| MCULE-7758976267 |
0.69 |
OC[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
|
|
| MCULE-3891334939 |
0.69 |
C1C2CC3([H])C4CC5CCC(=O)C=5C4C([H])(C(=O)OC)C([H])(C(=O)OC)C3([H])C=2C(=O)C1
|
|
| MCULE-3364249229 |
0.69 |
C(CC(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C(C)CCCC(C)C)C1(C)CC3)(C)=O
|
|
| MCULE-1095043105 |
0.69 |
C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
|
|
| MCULE-8117348974 |
0.69 |
C/C(/C)=C/C1C(C)(C)C1C(OC1C(C)(C)C2C1CCO2)=O
|
|
| MCULE-7760391261 |
0.69 |
O=C1O[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)C=C2)CC3)[H])([H])CC1
|
|
| MCULE-6499922066 |
0.69 |
C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
|
|
| MCULE-6085619223 |
0.69 |
[C@]12(C)C=CC(C=C1CC[C@@]1([H])C3[C@@](C)(OC(CC3)=O)CCC21)=O
|
|
| MCULE-6977514439 |
0.69 |
O=C(OCC)C1CC(=O)/C(=C(\O)/C2CC2)/C(=O)C1
|
|
| MCULE-7142425021 |
0.69 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC(Cl)C2C(C)=O
|
|
| MCULE-6078616811 |
0.69 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(Cl)C2C(C)=O
|
|
| MCULE-6390957697 |
0.69 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-4793681995 |
0.69 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(=O)COC(C)=O
|
|
| 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-1819290201 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-5897713249 |
0.69 |
C(CBr)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-1159937489 |
0.69 |
C(CCl)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-1720134200 |
0.69 |
C(CI)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-3696298012 |
0.69 |
O=C(C(F)(F)F)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
|
|
| MCULE-7448178395 |
0.69 |
[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
|
|
| MCULE-8587814356 |
0.69 |
[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-1488736836 |
0.69 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C(C#N)C#N)C2C(C)=O
|
|
| MCULE-2971649214 |
0.69 |
CC(OC1CC2C(C3C(CC=2)C2CC4C(C(=O)C)(C2(C)CC3)O4)(C)CC1)=O
|
|
| MCULE-5400534993 |
0.69 |
C12(C)CCC(C(Cl)=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-4827454681 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
|
|
| MCULE-6067558194 |
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(CCC(O)=O)=O)[H]
|
|
| MCULE-9817372120 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
|
|
| MCULE-3715918496 |
0.69 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=C(Cl)C(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-4565271647 |
0.69 |
C12CCC(C(=O)COC(=O)CCC(=O)O)C1(C)CCC1C3(C)CCC(=O)C=C3CCC21
|
|
| MCULE-7508700654 |
0.69 |
[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-2095449953 |
0.69 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)C1O2
|
|
| MCULE-1172054424 |
0.69 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)[C@@H]1O2
|
|
| MCULE-9652400026 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(O)(C(COC(C)=O)OC(C)=O)CCC4C3CCC2=C1
|
|
| MCULE-3183629646 |
0.69 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| MCULE-6786480650 |
0.69 |
O=C1C2CC=C3CC4(CCC3(C)C2C(O)CC1)OCCO4
|
|
| MCULE-1216188840 |
0.69 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| 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-9341616847 |
0.69 |
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-4504483614 |
0.69 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
|
| MCULE-4909005807 |
0.69 |
C=C(C)CCCCCCC(=O)OCC
|
|
| MCULE-8886396978 |
0.69 |
C=C(CCCCCC(=O)OCC)C
|
|
| MCULE-7155352281 |
0.69 |
C=C(CCCCC(=O)OCC)C
|
|
| MCULE-3664047551 |
0.69 |
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-5327458615 |
0.69 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
|
|
| MCULE-7335721966 |
0.69 |
C=CCCCCCCCCC(=O)OC(C)(C)C
|
|
| MCULE-5025931577 |
0.69 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
|
|
| MCULE-1144217583 |
0.69 |
C1(C=O)CCC(CCCC(O)(C)C)=CC1
|
|
| MCULE-5113003290 |
0.69 |
OC(C1CC2CC(CC=C2)C1)=O
|
|
| MCULE-8269913859 |
0.69 |
CCOC(CCCC(=C)C)=O
|
|
| MCULE-7147126046 |
0.69 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
|
|
| MCULE-1868424196 |
0.69 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MCULE-7276862551 |
0.69 |
[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-1389326170 |
0.69 |
[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-5213682431 |
0.69 |
C1(C(O)=O)CC(C(C)C)=CCC1C(O)=O
|
|
| MCULE-5897136444 |
0.69 |
[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
|
|
| MCULE-6147550234 |
0.69 |
[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-1918074338 |
0.69 |
C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-5183068201 |
0.69 |
C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
|
|
| MCULE-1218384038 |
0.69 |
[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-7925068743 |
0.69 |
[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-4431659207 |
0.69 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
|
|
| MCULE-2506870963 |
0.69 |
C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
|
|
| MCULE-5074709635 |
0.69 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
|
|
| MCULE-5774214368 |
0.69 |
[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-5436553655 |
0.69 |
[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-3724391729 |
0.69 |
C1(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-5686534690 |
0.69 |
C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
|
|
| MCULE-2253127357 |
0.69 |
C1(CC(C)=CCC1C(O)=O)C(O)=O
|
|
| MCULE-9693195749 |
0.69 |
[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-1974040943 |
0.69 |
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]
|
|
| MolPort-002-529-914 |
0.69 |
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
|
|
| MolPort-004-007-514 |
0.69 |
O=C(OCC1=CC=CC=C1)C1CC2CC1C=C2
|
|
| MolPort-021-804-540 |
0.69 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-002-525-398 |
0.69 |
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
|
|
| MolPort-046-596-372 |
0.69 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-006-170-151 |
0.69 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-000-803-190 |
0.69 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-009-018-337 |
0.69 |
CCCC1(CCC1)C(O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(=O)OC
|
|
| MolPort-044-183-242 |
0.69 |
CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1C(O)CC(=O)[C@@H]1CCCCCCC(=O)OC
|
|
| MolPort-006-167-612 |
0.69 |
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-042-683-898 |
0.69 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-006-393-950 |
0.69 |
[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-003-986-216 |
0.69 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-035-394-839 |
0.69 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-019-937-339 |
0.69 |
CC1CC(=O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C12
|
|
| MolPort-019-937-058 |
0.69 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2[C@@H](O)C1=O
|
|
| MolPort-027-640-928 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-046-682-738 |
0.69 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](O)CO
|
|
| MolPort-027-640-927 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-003-849-693 |
0.69 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)CO
|
|
| MolPort-003-931-378 |
0.69 |
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1
|
|
| MolPort-035-838-850 |
0.69 |
CC(C)=CC1C(C(=O)OC2C3CCOC3C2(C)C)C1(C)C
|
|
| MolPort-001-762-287 |
0.69 |
O=C1C2OC2C(=O)C2C3CC(C=C3)C12
|
|
| MolPort-003-009-842 |
0.69 |
CC12OC1C(=O)C1C3CC(C=C3)C1C2=O
|
|
| MolPort-010-969-193 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C(C)=O)C3CC=C2C1
|
|
| MolPort-007-980-828 |
0.69 |
CC(=O)OC1CCC2(C)C3CCC4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-002-911-155 |
0.69 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-006-112-498 |
0.69 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-509-437 |
0.69 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(Cl)C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-509-181 |
0.69 |
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-023-331-412 |
0.69 |
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-000-835-526 |
0.69 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-526-047 |
0.69 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OO)C(C)=O)OC(C)=O
|
|
| MolPort-044-830-352 |
0.69 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-046-761-440 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CCC(C(=O)COC(C)=O)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| 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-002-528-954 |
0.69 |
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 |
0.69 |
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-029-999-415 |
0.69 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MolPort-030-000-106 |
0.69 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-509-690 |
0.69 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CCC2=C1
|
|
| MolPort-008-322-983 |
0.69 |
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-507-430 |
0.69 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-509-853 |
0.69 |
CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| 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-046-596-317 |
0.69 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OO)C(C)=O)OC(C)=O
|
|
| MolPort-046-596-337 |
0.69 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| 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-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-001-756-612 |
0.69 |
CCOC(=O)CCCC(C)=C
|
|
| MolPort-038-941-702 |
0.69 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
|
|
| MolPort-001-756-605 |
0.69 |
CCOC(=O)CCCCCC=C
|
|
| MolPort-001-756-614 |
0.69 |
CCOC(=O)CCCCCC(C)=C
|
|
| MolPort-001-756-613 |
0.69 |
CCOC(=O)CCCCC(C)=C
|
|
| MolPort-016-633-333 |
0.69 |
CC1(C)C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-001-756-615 |
0.69 |
CCOC(=O)CCCCCCC(C)=C
|
|
| MolPort-046-141-505 |
0.69 |
OC(=O)C1CC2CC=CC(C2)C1
|
|
| MolPort-001-756-616 |
0.69 |
CCOC(=O)CCCCCCC=C
|
|
| MolPort-028-754-126 |
0.69 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-006-126-388 |
0.69 |
CC(C)(O)CCCC1=CCC(CC1)C=O
|
|
| MolPort-039-338-325 |
0.69 |
C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
|
|
| MolPort-028-746-649 |
0.69 |
CC(C)(C)OC(=O)CCCCCCCCC=C
|
|
| MolPort-016-633-342 |
0.69 |
C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-022-366-437 |
0.69 |
OC(=O)CC1CCCC=C1
|
|
| MolPort-046-594-431 |
0.69 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
|
|
| MolPort-046-689-952 |
0.69 |
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-046-418-969 |
0.69 |
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 |
0.69 |
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-006-137-767 |
0.69 |
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-044-811-204 |
0.69 |
CCCC(=O)OC[C@]1(C)C=C(C#N)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
|
|
| MolPort-044-562-375 |
0.69 |
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
|
|
| MolPort-001-740-301 |
0.69 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(O)(CO)C3)C(O)=O
|
|
| MolPort-000-689-320 |
0.69 |
CC1=C(C)CC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-001-741-005 |
0.69 |
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
|
|
| MolPort-003-959-458 |
0.69 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-035-706-443 |
0.69 |
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
|
|
| MolPort-035-706-442 |
0.69 |
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
|
|
| MolPort-035-706-441 |
0.69 |
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
|
|
| MolPort-002-507-603 |
0.69 |
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
|
|
| MolPort-046-790-494 |
0.69 |
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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|
| MolPort-009-649-413 |
0.69 |
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
|
|
| MolPort-046-761-837 |
0.69 |
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
|
|
| MolPort-028-754-124 |
0.69 |
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
|
|
| MolPort-035-706-314 |
0.69 |
CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
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|
| MolPort-001-741-429 |
0.69 |
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
|
|
| MolPort-039-052-434 |
0.69 |
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
|
|
| MolPort-003-936-393 |
0.69 |
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
|
|
| MolPort-039-052-491 |
0.69 |
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
|
|
| MolPort-005-938-499 |
0.69 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O
|
|
| MolPort-020-006-013 |
0.69 |
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
|
|
| MolPort-039-101-205 |
0.69 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
|
|
| MolPort-005-944-681 |
0.69 |
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
|
|
| MolPort-002-134-098 |
0.69 |
CC1=CCC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-002-130-595 |
0.69 |
CC(C)C1=CCC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-001-970-998 |
0.68 |
OC(=O)C1C2C=CC(C3CC23)C1C(O)=O
|
|
| MolPort-019-936-806 |
0.68 |
C[C@@H]1[C@H]2C3=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O
|
|
| MolPort-005-273-812 |
0.68 |
OC(=O)C1C2C=CC(C1C(O)=O)C(C2C(O)=O)C(O)=O
|
|
| MolPort-001-740-925 |
0.68 |
CC(=O)O[C@H]1C(=C)C2C[C@@]11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
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|
| MolPort-039-338-255 |
0.68 |
C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]31C)C(=C)C2
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|
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0.68 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
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|
| MolPort-002-511-686 |
0.68 |
CC(=O)OCCCCC1OC2CCCC[C@H]2C2=CCCCC12
|
|
| MolPort-005-945-241 |
0.68 |
COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
|
|
| MolPort-046-673-167 |
0.68 |
CC(C)(C)OC(=O)[C@@H]1CCC=CCC[C@@H]1N
|
|
| MolPort-002-131-951 |
0.68 |
CCC(=O)OC1CC(=C)C2CCC(C)=C2CC1(C)C
|
|
| MolPort-002-509-857 |
0.68 |
CCC(=O)O[C@@H]1CC(=C)[C@@H]2CCC(C)=C2CC1(C)C
|
|
| MolPort-042-682-241 |
0.68 |
CC(C)CC(C)CC(C)\C=C(/C)C1CC(=O)OC1=O
|
|
| MolPort-002-521-219 |
0.68 |
C[C@]12CCC3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-005-938-522 |
0.68 |
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1
|
|
| MolPort-006-394-861 |
0.68 |
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-046-690-478 |
0.68 |
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-003-666-225 |
0.68 |
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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0.68 |
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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|
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0.68 |
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
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|
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0.68 |
[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
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|
| MolPort-005-971-778 |
0.68 |
CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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|
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0.68 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
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0.68 |
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
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|
| MolPort-006-391-771 |
0.68 |
COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
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|
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0.68 |
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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|
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0.68 |
CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
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|
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0.68 |
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
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|
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0.68 |
CC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@H]2CC=C2C[C@H](CC[C@]32C)OC(C)=O)[C@]1(C)C(C)=O
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|
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0.68 |
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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|
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0.68 |
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
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| MolPort-030-042-316 |
0.68 |
CC(=O)OC1(CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-000-835-138 |
0.68 |
CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
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0.68 |
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
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0.68 |
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
|
|
| MCULE-2187659696 |
0.68 |
O=CC1(COCC1)CC1CC=CCC1
|
|
| MCULE-3213163274 |
0.68 |
COC1C(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-3728655247 |
0.68 |
O=CC1(COCCC1)CC1CC=CCC1
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|
| MCULE-6492075764 |
0.68 |
C1CC2(C(CC=1)(C(O)=O)CCCC2)CCC#N
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|
| MCULE-8721985369 |
0.68 |
OC(C1C2C(C(O)=O)C(C(O)=O)C(C=C2)C1C(O)=O)=O
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|
| MCULE-9499600420 |
0.68 |
C12CC1C1C(C(O)=O)C(C(O)=O)C2C=C1
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| MCULE-7030538659 |
0.68 |
C12(C(=O)O)C3C4C5C1C=CC5C2(C(=O)O)C4C=C3
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|
| MCULE-8553860527 |
0.68 |
C12(C3C4C5C(C1OC1C5C3CC1)C1C3CC=CC3C2C14)C=O
|
|
| MCULE-3754883080 |
0.68 |
C(OCC)(C(CC)C1=CCCCC1)=O
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|
| MCULE-3699550787 |
0.68 |
C12=CCCCC1([H])C(CCCCOC(C)=O)OC1CCCC[C@@]21[H]
|
|
| MCULE-2525034164 |
0.68 |
C1CCC(C(C)(C(OCC)=O)C)=CCCC1
|
|
| MCULE-5417858498 |
0.68 |
C1C2OC(CC2C=C1)=O
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|
| MCULE-1961244385 |
0.68 |
C12=C(C)CCC1C(=C)CC(OC(CC)=O)C(C)(C)C2
|
|
| MCULE-6824565850 |
0.68 |
[C@@]12([H])[C@@]([H])(C=CC1)CC(=O)O2
|
|
| MCULE-7087268888 |
0.68 |
C12=C(C)CC[C@@]1([H])C(=C)C[C@@H](OC(CC)=O)C(C)(C)C2
|
|
| MCULE-5581720234 |
0.68 |
C12CCC(=O)C=1C1C3C4C5C(C(OC)=O)(C1(C(OC)=O)C4C1C(=O)CCC5=1)C23
|
|
| MCULE-9705119087 |
0.68 |
[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
|
|
| MCULE-8399347131 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(C)CCC(=O)C2)C1COC(=O)C=1
|
|
| MCULE-2143241951 |
0.68 |
C12C(=O)CCC=1C1C3C4C5C(C(OC)=O)(C1(C(OC)=O)C4C1C(=O)CCC5=1)C23
|
|
| MCULE-9101975825 |
0.68 |
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-5039022522 |
0.68 |
C12(C)CCC3C(C=CC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(C)=O
|
|
| MCULE-4824360118 |
0.68 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MCULE-6632797081 |
0.68 |
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-5182543895 |
0.68 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-7583895634 |
0.68 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)=O
|
|
| MCULE-8861434212 |
0.68 |
[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-9350418837 |
0.68 |
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-4763981533 |
0.68 |
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-4618069967 |
0.68 |
C1(C(C2C=CC1C(C2C(=O)OCCN(C)C)C(=O)O)C(=O)O)C(=O)OCCN(C)C
|
|
| MCULE-7783857639 |
0.68 |
C1(C(C)C(C(=O)OC2CC(C)CCC2C(C)C)C(C)=CC1=O)C(=O)OC1CC(C)CCC1C(C)C
|
|
| MCULE-3731139584 |
0.68 |
[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-4801332089 |
0.68 |
C12(CCC(C(=C)C1(C)C)C2)C(OC)=O
|
|
| MCULE-8918435387 |
0.68 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(O)=O)=O
|
|
| MCULE-1585586063 |
0.68 |
C12C(CCC(=O)C=1)CC(C(O)=O)C2
|
|
| MCULE-8057091309 |
0.68 |
[C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
|
|
| MCULE-1536126723 |
0.68 |
C(O)(C1C(C2C3(CCCC3)C1C=C2)C(O)=O)=O
|
|
| MCULE-9798718462 |
0.68 |
[C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(O)=O)C=C2
|
|
| MCULE-8919412541 |
0.68 |
C12CC(C(C(O)=O)C1C(O)=O)C=C2
|
|
| MCULE-8179123738 |
0.68 |
[C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
|
|
| MCULE-4588681059 |
0.68 |
OC(C1(C2COCC2)CC=CC1)=O
|
|
| MCULE-5549887798 |
0.68 |
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-1695863761 |
0.68 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-1991391695 |
0.68 |
C12C(CCOC(C)=O)=CCC(C1(C)C)C2
|
|
| MCULE-3393292584 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC(=O)C
|
|
| MCULE-1964134852 |
0.68 |
C12=C(C)CC[C@@]1([H])C(=C)C[C@@H](OC(C)=O)C(C)(C)C2
|
|
| MCULE-4054169015 |
0.68 |
C12=C(C)CCC1C(=C)CC(OC(C)=O)C(C)(C)C2
|
|
| MCULE-6807348478 |
0.68 |
CC1C(COC(COC2CCCCC2)=O)CC=CC1
|
|
| MCULE-8345937454 |
0.68 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-2597929771 |
0.68 |
O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)C(C)=O
|
|
| MCULE-5546761279 |
0.68 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)(OC)=O
|
|
| MCULE-5079538770 |
0.68 |
C1CC2(C)C3([H])CCC4(C)C([H])(C(CCCC(C)C)C)CCC4([H])C3([H])CC=C2CC1OC(CCC(=O)OCC)=O
|
|
| MCULE-8064344923 |
0.68 |
[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-6635928611 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC(OC)=O)(CCC4C3CC=C2C1)OC(C)=O
|
|
| MCULE-3780935712 |
0.68 |
C#C[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1)OC(=O)CCCCCC
|
|
| MCULE-8148008657 |
0.68 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C)=CC2=O)C1)C
|
|
| MCULE-4160347351 |
0.68 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-2738564503 |
0.68 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
|
|
| MCULE-7326161622 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
|
|
| MCULE-3337401849 |
0.68 |
[C@@]1(C#C)(OC(=O)CCCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-3333716840 |
0.68 |
C1CC(CC=C1)(F)C(=O)OCCCC
|
|
| MCULE-3087856332 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C=O)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-2601858375 |
0.68 |
C12CC(C(C(OCCN(C)C)=O)C1C(O)=O)C=C2
|
|
| MCULE-9566808009 |
0.68 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C
|
|
| MCULE-5854292644 |
0.68 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1
|
|
| MCULE-3797371394 |
0.68 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(O)C2=C1)C(COC(C)=O)=O
|
|
| MolPort-002-116-843 |
0.68 |
CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
|
|
| MolPort-005-944-881 |
0.68 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5C(O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-028-960-858 |
0.68 |
OC(=O)C1[C@H]2C[C@H](C=C2)C1C(O)=O
|
|
| MolPort-027-947-880 |
0.68 |
OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@H]1C(O)=O
|
|
| 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-001-783-149 |
0.68 |
OC(=O)[C@H]1C2CC(C=C2)[C@H]1C(O)=O
|
|
| MolPort-035-706-445 |
0.68 |
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]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-035-706-444 |
0.68 |
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]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-000-142-104 |
0.68 |
OC(=O)C1C2CC(C=C2)C1C(O)=O
|
|
| MolPort-006-066-916 |
0.68 |
OC(=O)C1[C@H]2C[C@@H](C=C2)[C@H]1C(O)=O
|
|
| MolPort-002-508-355 |
0.68 |
CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-003-801-798 |
0.68 |
C[C@]1(C2CC(C=C2)[C@@H]1C(O)=O)C(O)=O
|
|
| MolPort-042-623-418 |
0.68 |
COC(=O)C1CC=CC(=O)C1
|
|
| MolPort-002-568-054 |
0.68 |
CC(=O)OCCC1=CCC2CC1C2(C)C
|
|
| MolPort-002-509-604 |
0.68 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-001-569-826 |
0.68 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-042-621-289 |
0.68 |
COC(=O)[C@@H]1CC=C[C@H](O)C1
|
|
| MolPort-046-654-332 |
0.68 |
CC(C)(C)OC(=O)C(N)CC1CCC=CC1
|
|
| MolPort-044-721-499 |
0.68 |
CC(=O)OC1CC(=C)C2CCC(C)=C2CC1(C)C
|
|
| MolPort-002-524-438 |
0.68 |
CC(=O)O[C@@H]1CC(=C)[C@@H]2CCC(C)=C2CC1(C)C
|
|
| MolPort-046-762-539 |
0.68 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](O)CC=C4[C@@H]3CC=C2C1
|
|
| MolPort-035-834-864 |
0.68 |
CC1CC=CCC1COC(=O)COC1CCCCC1
|
|
| MolPort-039-052-421 |
0.68 |
CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)=C
|
|
| MolPort-003-892-829 |
0.68 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(O)=O
|
|
| MolPort-046-673-914 |
0.68 |
CC(C)(C)OC(=O)[C@@H]1CC=CC[C@@H]1N
|
|
| MolPort-006-113-345 |
0.68 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-002-510-241 |
0.68 |
CC(=O)OCC(=O)[C@]1(CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-002-527-393 |
0.68 |
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-023-220-305 |
0.68 |
CCCCCCC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-002-512-707 |
0.68 |
C[C@]12CCC3C(C=CC4=CC(O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-158-398 |
0.68 |
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-035-705-803 |
0.68 |
CC(=O)O[C@@H]1CCC(C)(C)[C@H]2C[C@@H](O)C3=C[C@@H](CCC(=O)[C@]12C)C(=C)C3=O
|
|
| MolPort-046-153-753 |
0.68 |
C\C=C(\C)C(=O)OC1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-005-945-281 |
0.68 |
CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-007-549-411 |
0.68 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-046-597-650 |
0.68 |
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-005-945-288 |
0.68 |
CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
|
|
| MolPort-002-529-145 |
0.68 |
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-009-018-990 |
0.67 |
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
|
|
| MolPort-002-525-136 |
0.67 |
CC(=C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-002-513-739 |
0.67 |
CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]12
|
|
| MolPort-002-510-541 |
0.67 |
CC(C)CC(=O)OCCC\C=C(/C)CCC=C(C)C
|
|
| MolPort-046-769-931 |
0.67 |
CC(CCOC(C)=O)CC\C=C(/C)C=O
|
|
| MolPort-007-980-813 |
0.67 |
CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-007-980-814 |
0.67 |
CC(=C)C1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-002-512-174 |
0.67 |
CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-002-526-135 |
0.67 |
CC(=O)OC[C@]12CC[C@H]([C@H]1[C@H]1CCC3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-000-709-403 |
0.67 |
CC(=O)OCC12CCC(C1C1CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
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| MolPort-002-526-374 |
0.67 |
CC(=C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-023-220-752 |
0.67 |
CC1(C)CC[C@@]2([C@H](O)C[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]2C1)C(O)=O
|
|
| MolPort-001-785-547 |
0.67 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-046-153-799 |
0.67 |
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-003-927-109 |
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CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC
|
|
| MolPort-044-637-537 |
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CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
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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
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CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
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|
| MolPort-003-927-110 |
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CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-044-637-536 |
0.67 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
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|
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0.67 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC
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| MolPort-003-937-816 |
0.67 |
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC
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|
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0.67 |
CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
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|
| MolPort-003-941-067 |
0.67 |
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
|
|
| MolPort-006-114-411 |
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CCCCCC=CCC=CCCCCCCCC(=O)OC
|
|
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0.67 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
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CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
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CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
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| MolPort-003-941-189 |
0.67 |
CC\C=C\C\C=C\C\C=C\CCCCCCCCCC(=O)OC
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|
| MolPort-003-941-323 |
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CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)OC
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CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
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CC1(C)CC[C@@]2([C@H](O)C[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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| MolPort-044-183-401 |
0.67 |
CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)OC
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CC(=O)OC[C@]12CC[C@H]([C@@H]1[C@H]1CC[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)C(C)=C
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CC1(C)CC[C@@]2([C@H](O)C[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([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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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
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CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
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CC(=C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
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C[C@@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C
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CC(C)(O)C1OCC(CC1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
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COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
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0.67 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC(CO)CO
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CC(=O)OC1C[C@@H]2C[C@H]1C=C2
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CCC(C)CC(=O)OC1CC(CC2C(=C)CCCC12C)C(=C)C(O)=O
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CC(=O)OC1CC2CC1C=C2
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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
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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC\C(=N/O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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CC1CC(O)=CC(=O)C1C(=O)OC(C)(C)C
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Cl.CCOC(=O)[C@@H]1CC\C=C/CC[C@@H]1N
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Cl.CCOC(=O)[C@@H]1CCC=CCC[C@@H]1N
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CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
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CC(=O)C1CCC2C3CC=C4OC(=O)CCC4(C)C3CCC12C
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CC(=O)C1CCC2C3CC=C4OC(=O)CC[C@]4(C)C3CC[C@]12C
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C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)[C@@H](O)C[C@@H](C)C2=CC1=O
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CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1OC(C)=O
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CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C)OC(C)=O
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C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@]2(C)C(CC1=O)C(C)=CC2=O
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CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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[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
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C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(C)=CC(=O)[C@@H](O)[C@]4(C)C([C@H](O)[C@@H]1O)[C@]23C
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CCCC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@H]2CC=C2C[C@H](CC[C@]32C)OC(C)=O)[C@]1(C)C(C)=O
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CC(=O)OC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
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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
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C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)OC(C)=O
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C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC(O)=O)=O)[H]
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[Na+].[Na+].C1C2CC(C(C([O-])=O)C2C([O-])=O)C=1
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| MCULE-8936750032 |
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C12CC(C(C(O)=O)C1C(=O)OCC(Cl)=C)C=C2
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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
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[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
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| MCULE-6686022329 |
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C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
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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
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C1C[C@@]2([C@@]3([H])CC[C@@]4([C@@]5([C@@](C)(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)([C@H]1OC(=O)C)C)CCC(=C)[C@H]5C)[H])[H])C
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C1CC(C(O)=O)(CC=C1)[H]
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[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
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[C@H]1(C(O)=O)CCC=CC1
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[C@@H]1(C(O)=O)CCC=CC1
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| MCULE-7536268908 |
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C12(COC(CC)=O)COC(C(C(C)=CC1C)C2)C
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| MCULE-2355974075 |
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCO)CCC4C3CC=C2C1
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CC=C2C1
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| MCULE-6262725586 |
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OC(C1CC=CCC1)=O
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| MCULE-9797420475 |
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OC([C@H]1CC=CCC1)=O
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| MCULE-6013466834 |
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C1(=O)C2CCC(CC2C(=C)O1)C
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|
| MCULE-1391058013 |
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C12(CC1)C1C=CC2C(C1C(O)=O)C(O)=O
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| MCULE-7851674073 |
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C1(=C)C2CCCC1CC(C(OC)=O)C2
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| MCULE-7930269142 |
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C12C(C1/C(/C1CC21)=C(\C)/C)C(O)=O
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[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
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| MCULE-2703659948 |
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C1CC2(C)C(CCC(C)CCOC(=O)C)C(=C)CCC2C(C)(C)C1O
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| MCULE-8303728984 |
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[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]
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|
| MCULE-1597942572 |
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OC([C@@H]1CC=CCC1)=O
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C1(CI)OC(=O)CC2([H])C=CCC21[H]
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|
| MCULE-4796834258 |
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C=CCCCCC(=O)OCC
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| MCULE-2616985564 |
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[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
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[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(OC(C)=O)C2(C)C)COC(C)=O
|
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| MCULE-6190365385 |
0.67 |
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-8764003404 |
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C1(C(C)CCC(C(C)=C)C1)OC(C)=O
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| MCULE-4320729921 |
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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-2985118358 |
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C(CC(C(OCC)=O)(C)C)(=C)CC(C)(C)C
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| MCULE-7688714216 |
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O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
|
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| MCULE-3600048668 |
0.67 |
[C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
|
|
| MCULE-2524148130 |
0.67 |
C(CCCC(=O)OC)CCCCCC=CCC=CCC=CCC
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|
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[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
|
|
| MCULE-9968239395 |
0.67 |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
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|
| MCULE-4432547550 |
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C(C)(OCCC(C)CCC=C(C)C=O)=O
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|
| MCULE-4559726552 |
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O1CCCC(CC=C)C1=O
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|
| MCULE-4399438587 |
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CCCCCC=CCC=CCCCCCCCC(=O)OC
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|
| MCULE-2991720663 |
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C123C(C([H])(O)C1=O)(CC=CC2)CC=CC3
|
|
| MCULE-4552799664 |
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C(OCCCC=C(C)CC/C=C(\C)/C)(CC(C)C)=O
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|
| MCULE-1089286417 |
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C(/CCCCCCCC(OC)=O)=C/C/C=C\CCCCC
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|
| MCULE-8698326526 |
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C(CCCCCCCCCC=CCC=CCCCCC)(=O)OC
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|
| MCULE-3753766880 |
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C(CCCCCCCC=CCC=CCC=CCC)(OC)=O
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|
| MCULE-3747126841 |
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C1C[C@@]23OC(=O)[C@](C)([C@]2([H])CC(=O)[C@]2([H])C[C@@](C=C)(C)CC[C@]23C)C1
|
|
| MCULE-1531956184 |
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C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
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|
| MCULE-9612148440 |
0.67 |
O=C1C(CC2CC=CCC2)COC1
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|
| MCULE-7605717253 |
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C1CC2(C)C(CC(CC2OC(CC(C)CC)=O)C(C(=O)O)=C)C(C1)=C
|
|
| MCULE-7641008425 |
0.67 |
CC1C(CC2CC=CCC2)C(=O)CO1
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|
| MCULE-4431617841 |
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C1CC2(C)C3CCC4(C)C(C5COC(C(O)(C)C)C(O)C5)CCC4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-4350826995 |
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C12C=CCC(C1(COC(=O)C)[H])C=C2
|
|
| MCULE-6967238597 |
0.67 |
C12C=CCC(C1(C(OC)=O)[H])C=C2
|
|
| MCULE-9872247716 |
0.67 |
C1(CC2CC1C=C2)OC(C)=O
|
|
| MCULE-9035965650 |
0.67 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-7452033798 |
0.67 |
C1(=O)C=C(O)CC(C)C1C(OCC)=O
|
|
| MCULE-8149583555 |
0.67 |
C1(C)C(O)CC=C(C)C(O)CC(=O)OC(C)C(C)CCC=1
|
|
| MCULE-3752800864 |
0.67 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-9556758883 |
0.67 |
C1(C(C)CC(=CC1=O)O)C(=O)OC(C)(C)C
|
|
| MCULE-6481401182 |
0.67 |
[C@]12(C)CCC3C(CC(C4=CC(=O)CC[C@@]43C)=C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-5947848535 |
0.67 |
C12(C)CCC3C(CC=C4OC(=O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-6359752884 |
0.67 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C
|
|
| MCULE-6095828735 |
0.67 |
C12C3C4C5C(C1C4C1CC(OC(C)=O)C(=O)C3=1)C1C(=O)C(OC(C)=O)CC=1C25
|
|
| MCULE-6037100028 |
0.67 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
|
|
| MCULE-7648693618 |
0.67 |
[C@]12(C)CC=C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-9912732918 |
0.67 |
C1C[C@]2(C)[C@@]3([H])C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-6607478643 |
0.67 |
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-8451955222 |
0.67 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2[C@H](C)C1
|
|
| MCULE-8740503707 |
0.67 |
O=C1C2(CC=C)C(C3CC=C4CC5(CCC4(C)C3C(C2)O1)OCCO5)=O
|
|
| MCULE-3259874247 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(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-6949149768 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(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@@](C=O)(C)[C@H]1O
|
|
| MCULE-6325385060 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MolPort-046-765-335 |
0.67 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(=O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-035-706-317 |
0.67 |
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-035-706-447 |
0.67 |
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=O)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-006-119-583 |
0.67 |
C[C@@H]1CC=CC[C@H]1C(O)=O
|
|
| MolPort-004-781-058 |
0.67 |
CCOC(=O)C1CCCC=C1
|
|
| MolPort-006-393-372 |
0.67 |
OC(=O)[C@@H]1CCC=CC1
|
|
| MolPort-002-528-237 |
0.67 |
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-002-507-007 |
0.67 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-528-277 |
0.67 |
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-002-529-268 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
|
|
| MolPort-002-549-057 |
0.67 |
OC(=O)C1C2CC(C=C2)[C@@H]1C(=O)OCC(Cl)=C
|
|
| MolPort-002-683-774 |
0.67 |
CC(C)=C1C2CC2C2C(C12)C(O)=O
|
|
| MolPort-002-512-273 |
0.67 |
COC(=O)CC1(C)OC2CCCCC2C2=CCCCC12
|
|
| MolPort-002-527-666 |
0.67 |
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-002-799-650 |
0.67 |
CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@]12C
|
|
| MolPort-002-525-852 |
0.67 |
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-002-508-864 |
0.67 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C=CC2=C3C[C@@](C)(CC(=O)[C@]3(C)CC[C@@]12C)C(=O)OCCN
|
|
| MolPort-002-513-897 |
0.67 |
CC1C[C@]2(CCC=C(C)C)CC[C@@]1(COC(C)=O)CO2
|
|
| MolPort-002-841-867 |
0.67 |
CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)(C)C
|
|
| MolPort-006-728-041 |
0.67 |
OC(=O)[C@H]1CCC=CC1
|
|
| MolPort-002-508-440 |
0.67 |
CCC(=O)OC[C@@]12COC(C)[C@@H](C1)C(C)=CC2C
|
|
| MolPort-002-994-694 |
0.67 |
OC(=O)C1C(C2C=CC1C21CC1)C(O)=O
|
|
| MolPort-000-002-498 |
0.67 |
OC(=O)C1CCC=CC1
|
|
| MolPort-030-042-294 |
0.67 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-039-338-641 |
0.67 |
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
|
|
| MolPort-046-762-702 |
0.67 |
C[C@@H]1[C@H]2CC[C@]3(C)[C@@H]([C@@H](O)C[C@@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-001-756-604 |
0.67 |
CCOC(=O)CCCCC=C
|
|
| MolPort-046-761-503 |
0.67 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H](C(=O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-046-761-005 |
0.67 |
CCCCCCCCCCCCCCCC(O)CC(=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(C)CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-038-820-390 |
0.67 |
COC(=O)C1CCC(=C)CC1
|
|
| MolPort-046-690-464 |
0.67 |
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-000-724-808 |
0.67 |
CC1CC2(CCC=C(C)C)CCC1(COC(C)=O)CO2
|
|
| MolPort-046-690-262 |
0.67 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H]([C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-039-338-084 |
0.67 |
[Na+].[Na+].[O-]C(=O)C1C2CC(C=C2)C1C([O-])=O
|
|
| MolPort-046-673-512 |
0.67 |
CCOC(=O)C1(C)CCCC=C1
|
|
| MolPort-046-596-334 |
0.67 |
C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-027-853-631 |
0.67 |
CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
|
|
| MolPort-046-596-245 |
0.67 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-915-776 |
0.67 |
CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C
|
|
| MolPort-046-153-739 |
0.67 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@H](CC[C@]34C)OC(C)=O)C(=C)CC[C@H]2C1(C)C
|
|
| MolPort-001-510-490 |
0.67 |
OC(=O)C1C2CC(C=C2)C1C(=O)OCC(Cl)=C
|
|
| MolPort-022-366-452 |
0.67 |
CC1(CCC=CC1)C(O)=O
|
|
| MolPort-046-148-441 |
0.67 |
Cl.CCOC(=O)C(N)CC1CCC=CC1
|
|
| MolPort-044-183-328 |
0.67 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC\C=C/C[C@H]12
|
|
| MolPort-020-005-943 |
0.67 |
C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
|
|
| 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-044-754-094 |
0.67 |
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
|
|
| MolPort-046-762-703 |
0.67 |
C[C@H]1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-046-689-078 |
0.67 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-035-706-454 |
0.67 |
C[C@@H]1CC[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]2[C@]1(C)O)C(O)=O
|
|
| MolPort-002-054-056 |
0.67 |
Cl.CCOC(=O)[C@@H]1CC=CC[C@H]1N
|
|
| MolPort-035-706-377 |
0.67 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)[C@@H](OC(C)=O)[C@@H]5C(O)=O)[C@@H]12)C(O)=O
|
|
| MolPort-046-765-567 |
0.67 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-046-765-407 |
0.67 |
C[C@]12CC[C@@H]3[C@H]([C@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-046-761-511 |
0.66 |
CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-001-739-397 |
0.66 |
CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-000-773-895 |
0.66 |
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
|
|
| MolPort-023-220-532 |
0.66 |
N.CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-003-850-249 |
0.66 |
[NH4+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-039-339-046 |
0.66 |
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
|
|
| MolPort-044-724-000 |
0.66 |
[NH4+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@H]([O-])CC(O)=O)[C@H]12
|
|
| MolPort-028-754-165 |
0.66 |
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=O
|
|
| MolPort-001-739-826 |
0.66 |
CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1\C=C(/CO)C(O)=O
|
|
| MolPort-046-153-148 |
0.66 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-001-739-296 |
0.66 |
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
|
|
| MolPort-046-764-829 |
0.66 |
[NH4+].[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12)C([2H])([2H])[2H]
|
|
| MolPort-002-511-260 |
0.66 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-038-934-327 |
0.66 |
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
|
|
| MolPort-044-649-597 |
0.66 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC(C#N)=C(O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-046-793-004 |
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]4C3=CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-418-946 |
0.66 |
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC
|
|
| MolPort-046-793-005 |
0.66 |
CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3=CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-042-675-260 |
0.66 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(O)C(C)(C)C3CCC21C
|
|
| MolPort-005-945-283 |
0.66 |
CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-035-706-430 |
0.66 |
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
|
|
| MolPort-039-139-037 |
0.66 |
CCCC\C=C\C=C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-039-338-852 |
0.66 |
COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C
|
|
| MolPort-044-853-336 |
0.66 |
COC(=O)C1(CC#C)CCC=CC1
|
|
| MolPort-019-931-722 |
0.66 |
CCC\C=C\C=C\C(CCC(=O)OC)C(CO)C(O)=O
|
|
| MolPort-039-338-643 |
0.66 |
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-039-337-172 |
0.66 |
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)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
|
|
| MolPort-005-944-682 |
0.66 |
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@]1(C)O)C(O)=O
|
|
| MolPort-001-816-138 |
0.66 |
OC(=O)C1CC2CC=CC(C1)C2=O
|
|
| MolPort-039-338-623 |
0.66 |
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@]1(C)O)C(O)=O
|
|
| MolPort-044-755-202 |
0.66 |
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-042-675-253 |
0.66 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@](C)(CC(O)=O)C(CC[C@@]34C)C(C)(C)C(O)=O)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-035-706-218 |
0.66 |
C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
|
|
| MolPort-028-754-128 |
0.66 |
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@]1(C)O)C(O)=O
|
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| MolPort-005-909-640 |
0.66 |
CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
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0.66 |
C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
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| MolPort-039-138-853 |
0.66 |
CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
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0.66 |
CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
|
|
| MolPort-039-338-320 |
0.66 |
C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
|
| MCULE-5045023192 |
0.66 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@@H](O)CC1=C([C@H](C)C[C@@H]([C@@]3([H])OC3(C)C)OC(=O)C)C(=O)C[C@]21C)(C)C
|
|
| MCULE-3123508789 |
0.66 |
CC(O[C@H]([C@@H]1C(C)(C)O1)CC(C1=C2C[C@@H]([C@H]3[C@]4(CCC(C(C)(C)[C@@H]4CC[C@]3(C)[C@H]2CC1=O)=O)C)O)(C)C)=O
|
|
| MCULE-5559712503 |
0.66 |
C12C3C(C)(CCC(C)(C(OCCN(CC)CC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-7531592521 |
0.66 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)=O
|
|
| MCULE-7414282746 |
0.66 |
C(=O)(C(C)CC)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12
|
|
| MCULE-3608909089 |
0.66 |
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-8583685611 |
0.66 |
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-6697936504 |
0.66 |
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-4106244241 |
0.66 |
[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-5162561663 |
0.66 |
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-5000124600 |
0.66 |
[C@@]1([H])([C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@]12[H])/C=C(\CO)/C(O)=O
|
|
| MCULE-7040093693 |
0.66 |
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-7501478721 |
0.66 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C=O)=CC2)C1)C
|
|
| MCULE-8554726611 |
0.66 |
C1CC2(C(CC=1)(C(OC)=O)CCCC2)C(N)=O
|
|
| MCULE-3370774493 |
0.66 |
C12C3C4C5C6C3(C(OC)=O)C3(C(O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-7422457609 |
0.66 |
CC1(C(C(C2CCCCC=2)=O)CCO1)C
|
|
| MCULE-9246661061 |
0.66 |
C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-5131625833 |
0.66 |
CCC/C=C/C=C/C(C(C(O)=O)CO)CCC(=O)OC
|
|
| MCULE-6087624101 |
0.66 |
C1(=C(/C)\C)\CCC(C)C\1C(OCC)=O
|
|
| MCULE-1442347162 |
0.66 |
[C@]12(C)COC(C[C@]1([H])CCC2=C)=O
|
|
| MCULE-9808053205 |
0.66 |
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-5065272092 |
0.66 |
C12(C)COC(CC1([H])CCC2=C)=O
|
|
| MCULE-4854708910 |
0.66 |
CC1(C(=O)C(CC2CC=CCC2)CO1)C
|
|
| MCULE-3556089734 |
0.66 |
C1=CC2C1C(C(O)=O)C2C(O)=O
|
|
| MCULE-6672254923 |
0.66 |
C(=O)(O)C(C)(C)C1CC[C@@]2(C(CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)[C@@]1(C)CC(=O)O)C
|
|
| MCULE-3768588065 |
0.66 |
C/C(/C)=C/CCC1C(=O)CCOC1
|
|
| MCULE-7173744939 |
0.66 |
C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
|
|
| MCULE-1352194754 |
0.66 |
C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-2458381576 |
0.66 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1
|
|
| MCULE-7243244779 |
0.66 |
C1(C)(C)C(=C)CCC1C(OC)=O
|
|
| MCULE-5967042891 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
|
|
| MCULE-8736730050 |
0.66 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C3(C)CC(=C)C21)OC(C)=O)[H]
|
|
| MCULE-7677256646 |
0.66 |
OC(C1(CC=CC1)CC1CCCC=1)=O
|
|
| MCULE-8967153832 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C=C)CCC4C3CCC2(C1)[H])OC(C)=O
|
|
| MCULE-4750287883 |
0.66 |
C1=CCC(C(O)=O)(C)C(C(C)=O)([H])C1
|
|
| MCULE-8726454334 |
0.66 |
[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-7195812349 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1=CC=C2C(C)=O)[H]
|
|
| MCULE-2294643001 |
0.66 |
C1(C(OCCN(C)C)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
|
|
| MCULE-7583261760 |
0.66 |
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-1975394311 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1=CC=C2C(C)=O
|
|
| MCULE-7706016137 |
0.66 |
[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-6277226641 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-5094181928 |
0.66 |
C(CCC1C(C2CC=C3CC4(CCC3(C)C2C(O)C1C=O)OCCO4)=O)(C)=O
|
|
| MCULE-8974355339 |
0.66 |
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-4463171772 |
0.66 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-6579743305 |
0.66 |
C1CC2(C)C(CC1OC(CC(I)C)=O)=CCC1C3C(C)(CCC21)C(C(C)CCCC(C)C)CC3
|
|
| MCULE-1631535635 |
0.66 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MCULE-7828068345 |
0.66 |
COC1C(OC(C2C(C)(C)C2/C=C(\C)/C)=O)CCC1
|
|
| MCULE-4387968961 |
0.66 |
C(CO)(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-8899661988 |
0.66 |
O=C(C12COCC1C2)CC1CC=CCC1
|
|
| MCULE-8666884940 |
0.66 |
C(=CCC=CCCCCC)CC=CCC=CCCCC(OC(CO)CO)=O
|
|
| MCULE-3941924250 |
0.66 |
C1(C(OCC)=O)CC1C=CC(O)=O
|
|
| MCULE-4133832643 |
0.66 |
CCCCC/C(/[H])=C(/[H])\C/C(/[H])=C(/[H])\C/C(/[H])=C(/[H])\C/C(/[H])=C(/[H])\CCCC(OC(CO)CO)=O
|
|
| MCULE-3124415982 |
0.66 |
C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
|
|
| MCULE-1548167049 |
0.66 |
C(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-6560423282 |
0.66 |
[C@H]1(CC(CC[C@@H]1C(O)=O)=CC/C=C(/C)\C)C(O)=O
|
|
| MCULE-2424380947 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-3865951643 |
0.66 |
C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
|
|
| MCULE-2740109652 |
0.66 |
[C@@H]1(CC(C[C@@H]1C(OCC)=O)=C)C(OCC)=O
|
|
| MCULE-1831569032 |
0.66 |
C1(CC(CCC1C(O)=O)=CC/C=C(\C)/C)C(O)=O
|
|
| MCULE-6962013531 |
0.66 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC(=O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
|
|
| MolPort-044-728-864 |
0.66 |
[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-001-898-319 |
0.66 |
CC1C(C(C(C=C(C)C)C=C1C)C(O)=O)C(=O)OCCN(C)C
|
|
| MolPort-046-761-619 |
0.66 |
[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-002-528-928 |
0.66 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-572 |
0.66 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(=CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-023-278-236 |
0.66 |
[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-003-941-625 |
0.66 |
[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-002-510-289 |
0.66 |
CN(C)CCOC(=O)C1C\C(CCC1C(O)=O)=C/CC=C(C)C
|
|
| MolPort-001-742-454 |
0.66 |
CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
|
|
| MolPort-001-742-347 |
0.66 |
C\C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C2(C)C3C(C2C(=O)C=C3C)C1(C)C
|
|
| MolPort-001-742-346 |
0.66 |
C\C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)C(\C)=C/C)C(C)(C)C2C3C(C)=CC(=O)C2[C@]13C
|
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0.66 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@@H](C(C)=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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|
| MolPort-044-830-350 |
0.66 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
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| MolPort-044-830-351 |
0.66 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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|
| MolPort-046-701-688 |
0.66 |
CC(=O)OC1(CCC2C3CC(O)C4=CC(=O)CCC4C3CCC12C)C#C
|
|
| MolPort-002-511-297 |
0.66 |
C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-596-431 |
0.66 |
CC(=O)OCC(=O)[C@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-507-458 |
0.66 |
C[C@]12CCC3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-528-481 |
0.66 |
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
|
|
| MolPort-002-731-964 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)I
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|
| MolPort-046-690-754 |
0.66 |
CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
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| MolPort-027-641-220 |
0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-006-823-624 |
0.66 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C\CCCCCCCC
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|
| MolPort-003-925-153 |
0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
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|
| MolPort-046-682-790 |
0.66 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(C)=O
|
|
| MolPort-035-837-274 |
0.66 |
COC1CCCC1OC(=O)C1C(C=C(C)C)C1(C)C
|
|
| MolPort-046-764-976 |
0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](Cl)CO
|
|
| MolPort-003-940-335 |
0.66 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO
|
|
| MolPort-035-706-212 |
0.66 |
CC12CC[C@@H]3[C@H](OC(=O)C3(C)C)C(=C)CCC1O2
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|
| MolPort-002-161-277 |
0.66 |
CC(C)=CC\C=C1/CCC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-035-706-451 |
0.66 |
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=O)[C@@H]5C(=O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-002-508-860 |
0.66 |
CC(C)=CC\C=C1/CC[C@@H]([C@@H](C1)C(O)=O)C(O)=O
|
|
| MolPort-046-596-377 |
0.66 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
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0.66 |
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CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC
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COC(=O)[C@]12CC[C@H](C1[C@H]1CCC3[C@@]4(C)CC[C@@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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COC(=O)[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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0.65 |
O=CC1(CCOCC1)CC1CC=CC1
|
|
| MCULE-5267198059 |
0.65 |
OC(C1(CC=CC1)CC1CCCCC1)=O
|
|
| MCULE-6919539940 |
0.65 |
C12(C(=O)OC)CCC(C(=C)C)C1C1CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(CC2)C
|
|
| MCULE-8500547238 |
0.65 |
CC1CC(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-4851646103 |
0.65 |
CC1CCC(C2(C(O)=O)CC=CC2)CC1
|
|
| MCULE-8513241513 |
0.65 |
C12(C)CCC3(C)CCC(C(=C)C)C3C1CCC1C3(C)CCC(OC(=O)C)C(C)(C)C3CCC21C
|
|
| MCULE-6307043891 |
0.65 |
C(CCC=C(C)CC)(OCC)=O
|
|
| MCULE-9544967893 |
0.65 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-2094560228 |
0.65 |
C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C
|
|
| MCULE-7942598042 |
0.65 |
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-5714384003 |
0.65 |
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-1564688046 |
0.65 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-1884014689 |
0.65 |
O=C1OC[C@H](O)[C@@H](C[C@H]([C@](C)(O)[C@@H]2[C@]3(C)C(C4[C@@](CC3)([H])[C@]3(C)[C@](C[C@H]([C@H](C3)O)O)([H])C(=O)C=4)(O)CC2)O)[C@@H]1C
|
|
| MCULE-7505841337 |
0.65 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MCULE-9761390717 |
0.65 |
C123C4C(OC(CC14CC=CC2)C(I)C3)=O
|
|
| MCULE-8917764627 |
0.65 |
CC1C(=O)OC(C(O)(C2C3(C)CCC4C5(C)CC(O)C(O)CC5C(=O)C=C4C3(O)CC2)C)CC1C(O)C
|
|
| MCULE-4668660484 |
0.65 |
C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C
|
|
| MCULE-9098558954 |
0.65 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@@H]5OC(=O)[C@@H](C)[C@@]([H])([C@H](O)C)C5)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-7816980935 |
0.65 |
CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O
|
|
| MCULE-4654267035 |
0.65 |
C12(C)CC(C(=C(CC/C=C(\C)/C)C(O)=O)C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-7139024966 |
0.65 |
[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-8921610933 |
0.65 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])/C(/[C@@H](OC(=O)C)C[C@]21C)=C(/C(=O)O)\CC/C=C(/C)\C)O)O
|
|
| MCULE-9744281698 |
0.65 |
[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-2860009537 |
0.65 |
C[C@@H]1C(=O)OC[C@H](O)[C@H]1C[C@H]([C@@]([C@@H]1[C@]2(C)[C@@](C3[C@@](CC2)([H])[C@]2(C)[C@](C[C@H]([C@H](C2)O)O)([H])C(=O)C=3)(O)CC1)(O)C)O
|
|
| MCULE-8546117938 |
0.65 |
[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-1659372694 |
0.65 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@H](O)C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)O)CC/C=C(/C)\C)O
|
|
| MCULE-4569544045 |
0.65 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-5515322675 |
0.65 |
C12(C(CC)=O)C3CC(C=C3)C1C(C1OC12)=O
|
|
| MCULE-7571794100 |
0.65 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2
|
|
| MCULE-1759828525 |
0.65 |
[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-6747628390 |
0.65 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4895972010 |
0.65 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4630794584 |
0.65 |
C12(C=O)CC[C@H](CC1(O)CC[C@@]1([H])CC3(C(C)(CC(C3)C3COC(=O)C=3)C[C@]21[H])O)O
|
|
| MCULE-6660850303 |
0.65 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2962714006 |
0.65 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(O)=O
|
|
| MCULE-8928558825 |
0.65 |
C12C(C)OCC(COC(C)=O)(CC=C1C)C2
|
|
| MCULE-5167148308 |
0.65 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2)CC
|
|
| MCULE-3464870838 |
0.65 |
C12(COC(C)=O)CC=C(C(C(C)OC1)C2C)C
|
|
| MCULE-5380330078 |
0.65 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-9403520396 |
0.65 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)CC
|
|
| MCULE-3656083222 |
0.65 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C
|
|
| MCULE-8750715978 |
0.65 |
C12(COCC(C(C)=CC1C)C2C)COC(C)=O
|
|
| MCULE-5925791453 |
0.65 |
[C@]12(C)C=CC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-7405954364 |
0.65 |
[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
|
|
| MCULE-2091190347 |
0.65 |
OC(C1(OCCC1)CC1CC=CCC1)=O
|
|
| MCULE-9090867563 |
0.65 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
|
|
| MCULE-4966336591 |
0.65 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
|
|
| MCULE-5591099284 |
0.65 |
[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]
|
|
| MCULE-7498482995 |
0.65 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CC(C2)OC(CC)=O)C)=O
|
|
| MCULE-6649407342 |
0.65 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-9144922088 |
0.65 |
C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
|
|
| MCULE-9464302631 |
0.65 |
C12C(O)[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-5424518807 |
0.65 |
C1=CCC2(C(C1)(CC#N)CCCC2)C(O)=O
|
|
| MCULE-8693881242 |
0.65 |
C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O
|
|
| MCULE-8671876949 |
0.65 |
C12CC(C3C(=O)C(O)C13)C=C2
|
|
| MCULE-7638135284 |
0.65 |
C1(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1=O
|
|
| MCULE-3986896794 |
0.65 |
CC1([C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1([C@@]3(C)C([C@@H]4[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC3)=CC[C@@H]12)C)C
|
|
| MCULE-3751237146 |
0.65 |
C[C@H]1[C@](O)(C)[C@@H]2[C@@](C(=O)O)(CC[C@]3([C@@]4(C)[C@@H]([C@@]5([C@@H](CC4)[C@@](CO)(C)[C@@H](O)CC5)C)CC=C32)C)CC1
|
|
| MCULE-4704690733 |
0.65 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(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-9107310489 |
0.65 |
OC(C1(CCOCC1)CC1CC=CC1)=O
|
|
| MCULE-8312923448 |
0.65 |
C12CCCC(=O)C=1CC(C(=O)O)CC2
|
|
| MCULE-5689703166 |
0.65 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(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-4887084385 |
0.65 |
C(CCCOC(=O)C)CCCC=CC=CC
|
|
| MCULE-1404184811 |
0.65 |
C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)C1O)C
|
|
| MCULE-2621799080 |
0.65 |
C1(O)CC2(C)C(CCC(C)CCOC(=O)CCC(=O)O)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-8942317491 |
0.65 |
[C@@H]1(O)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)C)(C(=O)O)CCC(C)(C)[C@H]5O)C
|
|
| MCULE-9482226349 |
0.65 |
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@@](C)(O)[C@@]21[H])C(O)=O)[H]
|
|
| 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-6036890686 |
0.65 |
O=C(OCC)C1C(=O)C=C(C)C(C(=O)OCC)C1CC
|
|
| MCULE-5455459863 |
0.65 |
[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-4640608487 |
0.65 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(CCl)=O
|
|
| MCULE-2794249583 |
0.65 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
|
|
| MCULE-3293161796 |
0.65 |
[C@@]12(C)C(=O)C=C[C@@]1([H])[C@H](C)C[C@@]1([H])OC(=O)C(=C)[C@@]1([H])[C@@H]2O
|
|
| MCULE-8334353275 |
0.65 |
O=C1CCC2(C)C3C4CC5(C(O)O4)C(CCC5C3CCC2=C1)C(COC(C)=O)=O
|
|
| MCULE-9997097977 |
0.65 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCl)=O
|
|
| MCULE-2217416730 |
0.65 |
C1C(C)C(C(O)=O)(C)C(C(O)=O)CC=1
|
|
| MCULE-3877123511 |
0.65 |
C(C)(OCCCC=C(C)CC/C=C(/C)\C)=O
|
|
| MCULE-5258251736 |
0.65 |
C(O)(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O
|
|
| MCULE-1243088880 |
0.65 |
C1=CC(C)C(C(=O)O)C(C(=O)O)C1
|
|
| MCULE-2964563648 |
0.65 |
C1(C(C)C=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-8429170945 |
0.65 |
C1C(CC(O)=O)C(C=C)CC=1
|
|
| MCULE-5286515274 |
0.65 |
C1C(C(C)(C(=O)O)C(=O)O)C=CCC1
|
|
| MCULE-2960890696 |
0.65 |
C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
|
|
| MCULE-8439103614 |
0.65 |
OC1C(C2(C(O)=O)CC=CC2)CCCC1
|
|
| MCULE-8356534035 |
0.65 |
C(C)(OC(C)CCC=C(C)CC/C=C(\C)/C)=O
|
|
| MCULE-3732438270 |
0.65 |
C(O)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-7302182157 |
0.65 |
C1(=O)C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-1920197645 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCCC)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2876588696 |
0.65 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-7472025598 |
0.65 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-5089449970 |
0.65 |
C12(C(=O)COC(C)=O)C(O1)CC1([H])C3(C([H])(CCC21C)C1(C)CCC(CC1=CC3)O)[H]
|
|
| MCULE-2614241915 |
0.65 |
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-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-1876019392 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(CCCC)Br)=O
|
|
| MCULE-1671560839 |
0.65 |
[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
|
|
| MCULE-3991113418 |
0.65 |
O1C(CCC)C(O)C(O)C=CCCC(O)C1=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-2735287875 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC(C)Br)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1202438669 |
0.65 |
C1C=CCCC(C(O)=O)CC1
|
|
| MCULE-6641232569 |
0.65 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-2569630579 |
0.65 |
C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)/C=C/C
|
|
| MCULE-9038165616 |
0.65 |
CC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-7719471412 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)CC(C)Cl
|
|
| MCULE-4778256781 |
0.65 |
C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
|
|
| MCULE-1088853738 |
0.65 |
C1(C(C)(C)C)C2C(=O)OC(=O)C2C=1C(C)(C)C
|
|
| MCULE-3590471537 |
0.65 |
C=C(CCCCCCOC(C)=O)C
|
|
| MCULE-7841141029 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1550349961 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(O)CCOC(C)=O
|
|
| MCULE-8544434261 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C=CC(C)C(C)C)CC=C4C=3CCC2(O)C1
|
|
| MCULE-4980717954 |
0.65 |
C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
|
|
| MCULE-1670830332 |
0.65 |
C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
|
|
| MCULE-2754196624 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9306456156 |
0.65 |
C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)C=CC
|
|
| MCULE-8810317888 |
0.65 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1
|
|
| MCULE-3589037568 |
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C=C(C)CCCCCOC(=O)C
|
|
| MCULE-2561625191 |
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C=CCCCCCCOC(C)=O
|
|
| MCULE-7392620730 |
0.65 |
C(CCOC(=O)C)CCCCC=C
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|
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C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C=CCC(C)C)C)C4(C)CC=3)=CCC2(O)C1
|
|
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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(CCCCl)=O
|
|
| MCULE-4587387143 |
0.65 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
|
|
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C(C)(=O)OC1CCC2(C)C3C(C4CCC(C4(C)CC=3OC(C)=O)C(C)([H])OC(C)=O)CCC2(C1)[H]
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|
| MCULE-6532690267 |
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]2C#N)C)OC(C)=O
|
|
| MCULE-4096360275 |
0.65 |
C(OC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
|
|
| MCULE-4517973880 |
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C(C(CO)O)OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O
|
|
| MCULE-3353701926 |
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O1C2C1C1CC2C2C1C(C=CC2=O)=O
|
|
| MCULE-1590232629 |
0.65 |
C(OC(=O)CCCCCCC/C=C\CCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC
|
|
| MCULE-9291478242 |
0.65 |
C(/CCCCC)=C/C/C=C\CCCCCCCC(OCC(CO)O)=O
|
|
| MCULE-1143258159 |
0.65 |
C(COC(CCCCCCC/C=C/CCCCCCCC)=O)(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(CCCCCCC/C=C/CCCCCCCC)=O
|
|
| MCULE-4665107833 |
0.65 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1(O)C3CCC(C(C)CCC(C)C(C)C)C3(C)CC=C21
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|
| MCULE-2501372635 |
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C(OC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
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|
| MCULE-4238584773 |
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2C#N)C)OC(C)=O
|
|
| MCULE-1945667981 |
0.65 |
C12[C@@](C)(CC[C@@]([H])([C@H](C)C(OC)=O)C1=O)C=CC(=O)C=2C
|
|
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OC(C1(COCC1)CC1CC=CCC1)=O
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|
| MCULE-5477551096 |
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[C@@]12(C)CC(O[C@]1([H])C[C@H](CC2=O)C(C)=C)=O
|
|
| MCULE-1822030545 |
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C(=CCC=CCCCCC)CC=CCC=CCCCC(OCCN)=O
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|
| MCULE-9468362144 |
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O=C1C=CC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
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|
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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
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C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]12C(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)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1(C)O)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)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C
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|
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C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)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)(C)C5CC[C@@]34C)[C@@H]2[C@]1(C)O)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)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)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)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)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)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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| MolPort-006-109-476 |
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CC\C=C\C=C/CCCCCCCCOC(C)=O
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC34C)C2C1(C)O)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)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1O)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)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
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CC(C)(CO)C1OC2CCCCC2C2C=CCCC12
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|
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CC1=CCCC(C1)C1OCC2CCC(=C)C1C2
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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(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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| MolPort-002-511-489 |
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CC\C=C/C=C/CCCCCCOC(C)=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)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)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)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O
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| MolPort-044-561-384 |
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C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
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[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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CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(=O)CCl
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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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CCCC1OC(=O)C(O)CC\C=C\C(O)C1O
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CC(CC\C=C(/C)CCC=C(C)C)OC(C)=O
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CC1C=CC(C)C(C1C(O)=O)C(O)=O
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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
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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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
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CC(=C)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)CCCC
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|
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C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC1=CC(=O)OC1O
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CC1C=CCC(C1C(O)=O)C(O)=O
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|
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0.65 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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|
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0.65 |
CCCCC(Br)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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|
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0.65 |
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
|
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0.65 |
CC1C=CC[C@H]([C@H]1C(O)=O)C(O)=O
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|
| MolPort-002-508-416 |
0.65 |
CC(C)=CCC\C(C)=C\CCCOC(C)=O
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|
| MolPort-002-512-074 |
0.65 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(O)=O)C3CC[C@]12C
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|
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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-021-804-810 |
0.65 |
CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
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|
| 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
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|
| MolPort-002-857-394 |
0.65 |
CCCCCCCCCCCCC\C=C\CC(CC(O)=O)C(O)=O
|
|
| MolPort-022-375-199 |
0.65 |
OC(=O)C(C1CCCC=C1)C(O)=O
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|
| MolPort-044-811-195 |
0.65 |
COC(=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#N
|
|
| MolPort-022-366-503 |
0.65 |
OC(=O)CC1CCC=CC1
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|
| MolPort-007-549-252 |
0.65 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)Cl
|
|
| MolPort-003-663-637 |
0.65 |
OC(=O)C1CCC\C=C/CC1
|
|
| MolPort-002-194-473 |
0.65 |
C\C=C\C1OC(=O)C2(CCCCC2)C(=O)C1(C)C
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|
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0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC(C)Cl
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|
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0.65 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCl
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|
| MolPort-046-596-265 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCl
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|
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0.65 |
CC(=O)OCCCCCCC=C
|
|
| MolPort-039-338-287 |
0.65 |
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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|
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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)CCCCl
|
|
| MolPort-046-508-765 |
0.65 |
OC(=O)C[C@H]1CCC=CC1
|
|
| MolPort-022-880-509 |
0.65 |
CCOC(=O)C12CCCCC1=CC(=O)CC2
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|
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
|
|
| MolPort-023-213-017 |
0.65 |
CC(=C)CCCCCOC(C)=O
|
|
| MolPort-023-213-018 |
0.65 |
CC(=C)CCCCCCOC(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)Cl
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|
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0.65 |
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
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0.65 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)Br
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|
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0.65 |
CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC
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|
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0.65 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CO1
|
|
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0.65 |
COC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1=O
|
|
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0.65 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
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0.65 |
CC1[C@@H]2COC[C@@]1(COC(C)=O)CC1C2=CCCC1(C)C
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|
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CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)C#N
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0.65 |
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
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CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC
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CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
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CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC
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CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
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CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C#N
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[2H]C([2H])(OC(=O)CCCCCCC\C=C/CCCCCCCC)C1([2H])OC1([2H])[2H]
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[2H]C([2H])(O)C([2H])(O)C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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0.65 |
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
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|
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CCCCCC\C=C\CCCCCCCCCC(=O)OCC1CO1
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|
| MolPort-003-848-393 |
0.65 |
CCCCC\C=C\C\C=C\CCCCCCCC(=O)OCC(O)CO
|
|
| MolPort-046-690-306 |
0.65 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO
|
|
| MolPort-001-739-302 |
0.65 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO
|
|
| MolPort-002-507-145 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)C#N
|
|
| MolPort-001-740-419 |
0.65 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CO
|
|
| MolPort-002-052-068 |
0.65 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCN
|
|
| MolPort-046-762-588 |
0.64 |
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-002-088-602 |
0.64 |
OC(=O)C1C2CC(C=C2)C1C(=O)OCC1=CC=CC=C1
|
|
| MolPort-046-764-683 |
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@@]3(O)[C@@H](O)C[C@]12C
|
|
| MolPort-039-338-104 |
0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-023-333-208 |
0.64 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)C2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
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|
| MolPort-000-707-568 |
0.64 |
[Na+].C[C@@H]1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
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0.64 |
CC\C=C/CC1=C(CCCCC2CCC(=O)O2)C(CC1=O)OC
|
|
| MolPort-027-853-724 |
0.64 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
|
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0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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|
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0.64 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C([O-])=O
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|
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0.64 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
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0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)C(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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|
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0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(N)=O
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|
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0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)[C@@H](O)[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O
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0.64 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
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0.64 |
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC(=O)CCC1=CC=CC=C1
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| MolPort-016-586-626 |
0.64 |
CCOC12CCC(OCC)(C=C1)C(C2C(O)=O)C(O)=O
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0.64 |
O=C1CC2(CCOCC2)C=C1
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0.64 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
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0.64 |
CCCC(Br)C(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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0.64 |
C\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
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0.64 |
C=CCC1CC(=O)OC1=O
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0.64 |
CCCC(Br)C(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
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[Co++].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CCC
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COC(=O)[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC[C@]12O)C1=CC(=O)OC1
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CCCC(Br)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O
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CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC=C23)C1
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CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC21CCCC1
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CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
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OC(=O)CC1CC2CC1C=C2
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CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)CC=C23)C1
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OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
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CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
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COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(=O)CCC(O)=O)C=C4C#N
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CC(C)CCCC(C)C1CC[C@H]2C3CC[C@H]4CC(OC(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C
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CC(CCCCCC1OC(=O)C=C1)C(C)=O
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(OC(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C
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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
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CC(=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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CCOC(=O)C1(CC=C)CCC=C1
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CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
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CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
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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
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CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
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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
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CC(C)C1CCC2=C(C1\C=C(/CO)C(O)=O)C(=O)OC2
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CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
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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)CN
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CC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CCC4=C3C=C[C@]12C
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OC(C(CC1C2C=CC(CC2)C1)=O)=O
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C1(=C)C2CCC1CC(C(OC)=O)C2
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[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC=C)(O)CCC4C3CCC2(C1)[H]
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OC(C(O)=O)CC1C2C=CC(CC2)C1
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0.64 |
C1C2C3C4C(=O)OC(C=CC23)C4C=1
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C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
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[C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
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C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(OC(C)=O)=CC3)CC2
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(OC)=O)C#C
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C(C)(=O)OC1C(C)(C2CCC3(C)C(C(C)CCCC(C)C)CCC3C2CC=1)[H]
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O=C1CCC2(C)C3CCC4(C5(OCCO5)CCC4C3CC=C2C1(C)C)C
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C(OCC)(=O)C1(CCC=C1)CC=C
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[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
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C12C3[C@](C)(CC[C@](C)(C(OC)=O)C3)CC[C@@]1(C)[C@]1(C(C(=O)C=2)[C@@]2(C)C[C@H](Br)C(C(C)(C)C2CC1)=O)C
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COC(C(CC1CCCCC=1)(N)C)=O
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C1C(=O)OC(CCCCCC(C(=O)C)C)C=1
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[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]
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C12(C(OCC)=O)C=CC(=O)C1C1CC2C=C1
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C1[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
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C[C@]12C=CC3[C@](CCC4C=3CCC(=O)C=4)([H])[C@]1([H])CC[C@@H]2OC(=O)C
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C12C=C[C@]3(C(CC[C@@H]3OC(C)=O)C1CCC1=CC(=O)CCC=21)C
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C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
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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
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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]
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C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
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C1CC2COC(C=2C(C1C(C)C)/C=C(\CO)/C(=O)O)=O
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C1(CCCCC1OC(C)=O)=CC(C)C
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O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1C3CCC(CC=3C[C@@H](C)[C@@H]21)(OC)OC
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C12CCC(CC=1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@]2(C)C(CC[C@@]12[H])=O)(OC)OC
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O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](CCC1C=CC=CC=1)O)OC(C)C
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C1[C@]2([C@@]3(C)[C@H]([C@@H]4[C@H](S)CC5[C@@](C)(CCC(=O)C=5)[C@H]4CC3)CC2)OC(=O)C1
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| MCULE-6383206380 |
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O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(COC(C)=O)=O
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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
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[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(C)=O)[H]
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C12(C(=O)COC(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
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|
| MCULE-1714041310 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(=O)COC(CBr)=O)[H]
|
|
| MCULE-8909512492 |
0.64 |
[C@]12(C)CC([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)C)=O
|
|
| MCULE-2901288503 |
0.64 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-4136441831 |
0.64 |
C12(C)CCC(=CC1=CCC1([H])C2([H])CCC2(C1([H])CCC12CCC(=O)O1)C)OC
|
|
| MCULE-7361919999 |
0.64 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-2992568144 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-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-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-5123565274 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C(CCCCC)Cl)=O
|
|
| MCULE-3659807532 |
0.64 |
C12(C([H])(C3([H])CCC4=CC(=O)C=CC4(C)C3([H])C(=O)C1)CCC2(O)C(=O)COC(C)=O)C
|
|
| MCULE-3044681837 |
0.64 |
CCOC(C1=CC2CCC1C=C2)=O
|
|
| MCULE-4543147897 |
0.64 |
CC(OC(CCCC=CC[C@@H]1[C@@H](CC[C@@H](O)CCC2C=CC=CC=2)[C@H](O)C[C@@H]1O)=O)C
|
|
| MCULE-6983791611 |
0.64 |
O[C@@H]1C[C@H](O)[C@H](C/C=C/CCCC(OC(C)C)=O)[C@H]1CC[C@@H](O)CCC1=CC=CC=C1
|
|
| MCULE-4112378800 |
0.64 |
[C@@]123CC=C(C)C1[C@@H]1[C@@H](CC[C@]2(O3)C)[C@@H](C(=O)O1)C
|
|
| MCULE-6510947957 |
0.64 |
[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-1292920293 |
0.64 |
[C@]12(C)CCC(=CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]12CCC(=O)O1)C)OC
|
|
| 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-7799029965 |
0.64 |
[C@H]1(CC[C@H](O)CCC2=CC=CC=C2)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(OC(C)C)=O
|
|
| MCULE-1226258144 |
0.64 |
C(OC)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-7380615416 |
0.64 |
O=C(CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](CCC1=CC=CC=C1)O)OC(C)C
|
|
| MCULE-6804658031 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCCCCCC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3703044544 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCCCC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-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-1544960646 |
0.64 |
[C@@]1(O)(OC(C)=O)C(Br)CC2C3C(CC[C@]12C)[C@@]1(C)CCC(C=C1CC3)=O
|
|
| MCULE-2588682863 |
0.64 |
C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
|
|
| MCULE-4894196835 |
0.64 |
CC(OC(CCCC=CCC1C(CCC(CCC2C=CC=CC=2)O)C(O)CC1O)=O)C
|
|
| MCULE-2655341532 |
0.64 |
C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C1O)(C(O)=O)C)C
|
|
| MCULE-3304274375 |
0.64 |
C12=CCC(C)C1CC1(O)C(C)(CO)C2(C)CC1=O
|
|
| MCULE-9430504051 |
0.64 |
C123CCC=CCCC1(C(C(=O)C2C(OC)=O)C(OC)=O)C(C(=O)C3C(OC)=O)C(OC)=O
|
|
| MCULE-4774026424 |
0.64 |
O=C(C1OCCCC1)CC1CC=CC1
|
|
| MCULE-2425846667 |
0.64 |
C12C(C(=C)C)CCC1(COC(=O)CCC(=O)O)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)OC(=O)CCC(=O)O
|
|
| MCULE-5715586535 |
0.64 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])COC2)[H]
|
|
| MCULE-6215568256 |
0.64 |
[C@@H]1(O)C[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@@]([C@H]1O)(CO)C)C
|
|
| MCULE-9540409196 |
0.64 |
C1C[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@H]1O)(C(O)=O)C)C
|
|
| MCULE-7803183347 |
0.64 |
O[C@@H]1[C@](CO)(C)C2[C@](C3CC=C4[C@]5([H])[C@H](O)C(C)(C)CC[C@]5(C(O)=O)CC[C@]4([C@]3(C)CC2)C)(C)C[C@H]1O
|
|
| MCULE-6752055358 |
0.64 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(O)=O)=O)C2(C)C)COC(CCC(O)=O)=O
|
|
| MCULE-1794103472 |
0.64 |
CC1(C(CC2CC=CC2)=O)OCCCC1
|
|
| MCULE-2133304297 |
0.64 |
C1(C(OC)=O)C(N)C2CC1C=C2
|
|
| MCULE-6896548973 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CC)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4310136717 |
0.64 |
C(C)C1OC(=O)C(C)C(=O)C(C)=CC(C)CC(C)C(=O)C=CC1C
|
|
| MCULE-2146538095 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C(C)C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5547837860 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C(C)C)Br)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1659038217 |
0.64 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C(C(C)C)Br)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-5893556382 |
0.64 |
C1(C(CCCC=1O)=O)C(CC(OC)=O)C1C(CCCC=1O)=O
|
|
| MCULE-7025667843 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C(C)C)Cl
|
|
| MCULE-9287144806 |
0.64 |
C1=CC2(C)C3CCC4(C)C(C(C)=O)OC(=O)CC4C3CCC2=CC1=O
|
|
| MCULE-9088951308 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C(C)C)Cl
|
|
| MCULE-4355449378 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(CC)Br)=O
|
|
| MCULE-4712498553 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C(CC)Br)=O
|
|
| MCULE-7510353884 |
0.64 |
COC(C1([C@@H]2C=C[C@@H](C2)C1)N)=O
|
|
| MCULE-8270116982 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3400915813 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C(CC)Cl)=O
|
|
| MCULE-9801536119 |
0.64 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MCULE-8983467960 |
0.64 |
C1(C(=O)OC2CC(C(CC=C)=C2C)=O)C(C1(C)C)C(C)=CC
|
|
| MCULE-6199732071 |
0.64 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-8580808454 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#N)C)OC(C)=O
|
|
| MCULE-2994774008 |
0.64 |
C(CC(OCC)=O)(CCC=C)=O
|
|
| MCULE-2487519401 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CCC4(C(CCC4C=3C(C3C=C4CC(OC(=O)C)CCC4(C)C4CCC5(C)C(C(C)C=CC(C)C(C)C)CCC5C3=4)C=C2C1)C(C)C=CC(C)C(C)C)C
|
|
| MCULE-1785744667 |
0.64 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
|
|
| MCULE-5549502379 |
0.64 |
C12C3CC(C=C3)C1C2C(O)=O
|
|
| MCULE-6487078929 |
0.64 |
C1CC2(C)CCC(OC(=O)C)C(=C)C2CC1C(O)(C)C
|
|
| MCULE-9853941800 |
0.64 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
|
|
| MCULE-9848650209 |
0.64 |
O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
|
|
| MCULE-8554570348 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2(O)C#N)C)OC(C)=O
|
|
| MCULE-4841780318 |
0.64 |
C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
|
|
| MCULE-2582517969 |
0.64 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
|
|
| MCULE-9145625609 |
0.64 |
C1(C(=O)OC)C(C)CC(O)=C(C)C1=O
|
|
| MCULE-2484673307 |
0.64 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CC[C@@]2(O)C#N)C)OC(C)=O
|
|
| MCULE-8782047011 |
0.64 |
[C@@]12(OC(=O)C)C[C@H]([C@]3(O)[C@]4([H])C=C(C)C(=O)[C@]4(CC(CO)=C[C@@]3([H])[C@]1([H])C2(C)C)O)C
|
|
| MCULE-6754625100 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)([H])OC(C)=O
|
|
| MCULE-3741444667 |
0.64 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-3930781117 |
0.64 |
O=C(C12COCC1C2)C1CCCCC=1
|
|
| MCULE-4676598997 |
0.64 |
C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
|
|
| MCULE-9549608104 |
0.64 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MCULE-4325649241 |
0.64 |
C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-5661885893 |
0.64 |
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-7087866108 |
0.64 |
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-8674366228 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-9118663748 |
0.64 |
[C@]12(C)C(=O)C=C3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CC)=O)C1CC1O[C@]3(CCC(CO3)C)[C@@H](C)C21
|
|
| MCULE-8390617062 |
0.64 |
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-7655940373 |
0.64 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-6419704114 |
0.64 |
CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
|
|
| MCULE-1891722858 |
0.64 |
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-2531588252 |
0.64 |
[C@]12(C)C(=O)C=C3[C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1O[C@]3(CC[C@@](CO3)([H])C)[C@@H](C)[C@H]21
|
|
| MCULE-4740518260 |
0.64 |
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-4484818094 |
0.64 |
O=C(OC1CC(C)=C(CC=C)C1=O)C1C(/C=C(\C)/C)C1(C)C
|
|
| MCULE-1204198061 |
0.64 |
[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-8429357063 |
0.64 |
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-6811310040 |
0.64 |
[C@]12(C)C(=O)CC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(C)=O)C1CC1OC(CCC(C)COC(C)=O)=C(C)C21
|
|
| MCULE-7012287188 |
0.64 |
C12C3OC(=O)C1CC1C=CC(C3I)C12
|
|
| MCULE-8102498607 |
0.64 |
C12CC(C(C(O)=O)C1C(=O)OCC1C=CC=CC=1)C=C2
|
|
| MCULE-1112041418 |
0.64 |
O=C1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C12)OC(C)=O)[H]
|
|
| MCULE-7150467746 |
0.64 |
O=C(C1CCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-6478033386 |
0.64 |
[C@@H]1(O)[C@H](O)[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2C([C@H]1O)(C)C)C
|
|
| MCULE-8676134264 |
0.64 |
O=C(C1C2OC(CC2)C1)CC1CC=CC1
|
|
| MCULE-9277035146 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCBr)CCC4C3CCC2C1
|
|
| MCULE-8381855401 |
0.64 |
O[C@@H]1C[C@H]2/C(/[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]3[C@H](C)[C@H](O)CC[C@]3(C)[C@H]12)OC(C)=O)=C(/C([O-])=O)\CC/C=C(/C)\C.[Na+]
|
|
| MCULE-9055590032 |
0.64 |
[Na+].[C@]12(C)C[C@@H](C(=C(CC/C=C(/C)\C)C(=O)[O-])[C@]1([H])C[C@H]([C@]1([H])[C@]2(C)CC[C@@]2([C@]1(C)CC[C@@H](O)[C@H]2C)[H])O)OC(C)=O
|
|
| MCULE-6831179748 |
0.64 |
[Na+].[C@]12(C)CC[C@@]3([H])[C@H](C)[C@H](O)CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)[O-])CC/C=C(/C)\C)O
|
|
| MCULE-1278081687 |
0.64 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O
|
|
| MCULE-3605740875 |
0.64 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C21)=O)OC(C)=O
|
|
| MCULE-9599862192 |
0.64 |
[Na+].C12(C)CC(C(=C(CC/C=C(/C)\C)C(=O)[O-])C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-5137269050 |
0.64 |
C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
|
|
| MCULE-1838275290 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(CCC)Cl)=O
|
|
| MCULE-4091243013 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCC)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5595198949 |
0.64 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(OC)=O
|
|
| MCULE-5801016152 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(CCC)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4827912965 |
0.64 |
CC/C(=C/C(=O)O[C@H]1C(=C)[C@@]2(CC(=O)/C(=C\C)/[C@@]2([H])[C@H](C(C)C)C1)[H])/C
|
|
| MCULE-6793463685 |
0.64 |
O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
|
|
| MCULE-5765265358 |
0.64 |
CC1C(C(CC2CC=CC2)=O)CCOC1
|
|
| MCULE-9514417628 |
0.64 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C
|
|
| MCULE-2646733803 |
0.64 |
C123C=CC1(CC1OC1C2)CCCC3
|
|
| MCULE-8715328675 |
0.64 |
[C@]12(C)CC=C3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CC)=O)C1CC1C2[C@H](C)[C@]2(O1)CCC(CO2)C
|
|
| MCULE-8149296543 |
0.64 |
C(C1OCC(O)C1O)(COC(CCCCCCCC=CCCCCCCCC)=O)(O)[H]
|
|
| MCULE-3632084054 |
0.64 |
C123CCC(=O)C1C1C(=O)CCC1(O2)C=C3
|
|
| MCULE-4975286883 |
0.64 |
C1CC(CC2CCCO2)CCC=1C
|
|
| MolPort-000-707-521 |
0.64 |
CC(C)\C=C1/CCCCC1OC(C)=O
|
|
| MolPort-020-007-852 |
0.64 |
COC1(CCC2=C(C[C@@H](C)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)OC
|
|
| MolPort-046-687-439 |
0.64 |
CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-044-559-903 |
0.64 |
CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-761-499 |
0.64 |
[2H]C([2H])([2H])C(=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
|
|
| MolPort-046-589-825 |
0.64 |
CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CCC1=CC=CC=C1
|
|
| MolPort-044-559-835 |
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
|
|
| MolPort-002-510-911 |
0.64 |
COC1=CC2=CC[C@H]3C4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CC1
|
|
| MolPort-007-549-257 |
0.64 |
CCCCCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-046-765-477 |
0.64 |
C[C@]12CC[C@H]3C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](S)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-002-511-839 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-927-178 |
0.64 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
|
|
| MolPort-005-937-971 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC12C
|
|
| MolPort-000-713-776 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-524-245 |
0.64 |
C[C@H]1[C@@H]2CC[C@@]3(C)O[C@]33CC=C(C)C3[C@H]2OC1=O
|
|
| MolPort-005-943-417 |
0.64 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-007-549-258 |
0.64 |
CCCCCCCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-509-796 |
0.64 |
CC(=O)O[C@@]1(O)C(Br)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-595-944 |
0.64 |
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
|
|
| MolPort-006-395-143 |
0.64 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-002-527-664 |
0.64 |
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
|
|
| MolPort-046-196-089 |
0.64 |
CC(C)OC(=O)CCCC=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1
|
|
| MolPort-000-713-964 |
0.64 |
COC1=CC2=CCC3C4CC[C@@]5(CCC(=O)O5)C4(C)CCC3C2(C)CC1
|
|
| MolPort-046-689-047 |
0.64 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-019-937-355 |
0.64 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
|
|
| MolPort-046-596-424 |
0.64 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-030-042-306 |
0.64 |
CC(=O)OCC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-046-764-836 |
0.64 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-005-935-069 |
0.64 |
CC(C)OC(=O)CCC\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1
|
|
| MolPort-007-980-855 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
|
|
| MolPort-019-931-744 |
0.64 |
CCCC(O)CC1CC(O)\C=C\C(O)C(O)C(C)(C)C(=O)O1
|
|
| MolPort-002-528-604 |
0.64 |
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
|
|
| MolPort-046-761-616 |
0.64 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C2=C[C@H](O)[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-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]
|
|
| MolPort-005-934-801 |
0.64 |
CC1CC2C3CCC(O)(C(=O)COC(C)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-002-530-131 |
0.64 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(Cl)CCCCC
|
|
| MolPort-020-005-824 |
0.64 |
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CCC1=CC=CC=C1
|
|
| MolPort-042-646-605 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CCCCC
|
|
| MolPort-002-507-154 |
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
|
|
| MolPort-003-942-862 |
0.64 |
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1
|
|
| MolPort-039-139-007 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O2
|
|
| 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
|
|
| MolPort-044-183-054 |
0.64 |
[2H]C([2H])(CC(=O)OC(C)C)C([2H])([2H])\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCC1=CC=CC=C1
|
|
| MolPort-002-507-473 |
0.64 |
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
|
|
| MolPort-003-892-488 |
0.64 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC12C
|
|
| MolPort-027-640-917 |
0.64 |
CCCCC[C@@H]1OC(=O)CCC\C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2\C=C\1
|
|
| MolPort-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
|
|
| MolPort-002-507-221 |
0.64 |
COC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
|
|
| MolPort-046-598-103 |
0.64 |
CC(=C)C1CCC2(COC(=O)CCC([O-])=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC([O-])=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-007-549-253 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Br)C(C)C
|
|
| MolPort-002-509-617 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)CC
|
|
| MolPort-046-509-005 |
0.64 |
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]2[C@@H]1O)C(O)=O
|
|
| MolPort-000-756-644 |
0.64 |
CC(=C)[C@@H]1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-046-691-203 |
0.64 |
CCCCCCCCCC(=O)O[C@H]1CCC(=C)\C(C1)=C\C=C1/CCC[C@]2(C)[C@H](CCC12)[C@H](C)CCCC(C)C
|
|
| MolPort-001-741-316 |
0.64 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@@]34C)C2[C@@H]1O)C(O)=O
|
|
| MolPort-007-549-251 |
0.64 |
CCC(Cl)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-000-755-831 |
0.64 |
CC(=O)OC[C@@]1(C)CC(OC(C)=O)[C@]2(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2C1
|
|
| MolPort-001-741-276 |
0.64 |
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)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-046-597-639 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Br)C(C)C
|
|
| MolPort-006-668-670 |
0.64 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O
|
|
| MolPort-005-945-460 |
0.64 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-282 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Cl)C(C)C
|
|
| MolPort-038-386-633 |
0.64 |
CC(=O)C1OC(=O)CC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C
|
|
| MolPort-046-158-545 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-000-757-203 |
0.64 |
CC(=C)[C@@H]1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-002-801-701 |
0.64 |
COC(=O)C1C(=O)C(C(=O)OC)C23CC\C=C/CCC12C(C(=O)OC)C(=O)C3C(=O)OC
|
|
| MolPort-007-549-279 |
0.64 |
CCC(Br)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-527-681 |
0.64 |
CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-000-767-904 |
0.64 |
COC(=O)CCC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@@H](CCC4(COC(C)=O)CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-046-158-410 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-035-836-356 |
0.64 |
COC1CCCCC1OC(=O)CC1=CCCCC1
|
|
| MolPort-046-596-304 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(Cl)CC
|
|
| MolPort-000-762-143 |
0.64 |
CC(=C)C1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-007-980-815 |
0.64 |
CC(=C)C1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-002-529-595 |
0.64 |
CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-002-529-653 |
0.64 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(Cl)CC
|
|
| MolPort-000-775-094 |
0.64 |
COC(=O)CCC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(=O)CCC(=O)OC)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-000-766-463 |
0.64 |
CC(=C)[C@@H]1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-046-594-619 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(Cl)C(C)C
|
|
| MolPort-001-741-354 |
0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@]1(C)O)C(O)=O
|
|
| MolPort-000-765-560 |
0.64 |
COC(=O)CCC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-005-944-635 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-044-637-508 |
0.64 |
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CC1(C2[C@@H]1C1OC2C=C1)C(=O)OCC=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)[C@@H]2[C@@H]1O)C(O)=O
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CC1CC=C2C1CC1(O)C(=O)CC2(C)C1(C)CO
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CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#N)[C@@H]3CC=C2C1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C#N)C3CC=C2C1
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C\C=C(/C)C1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
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CCCCCCCC\C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C\C\C=C\CCCCC
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]4(O)C#N)C3CC=C2C1
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CC(=O)OC1CCC2(C)CCC(CC2C1=C)C(C)(C)O
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CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
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CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC[C@@]4(O)C#N)C3CC=C2C1
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CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
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COC(=O)CC1C(=CC2CC(C)(C)CC12C(=O)CO)C(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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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C#N)C3CC=C2C1
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
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CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
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CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
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CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
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CC1OC1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(CC2[C@]1(C)O)=C(C)C
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Cl
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0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCl
|
|
| MolPort-002-508-698 |
0.63 |
CCOC(=O)C1C(CC)CC(=O)C=C1C
|
|
| MolPort-002-508-666 |
0.63 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC(F)(F)F
|
|
| MolPort-002-530-177 |
0.63 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(C)(C)Br
|
|
| MolPort-002-510-917 |
0.63 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCl
|
|
| MolPort-001-793-303 |
0.63 |
CCOC(=O)C1CCC(=O)C=C1C
|
|
| MolPort-042-646-606 |
0.63 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)(C)Br
|
|
| MolPort-003-719-575 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(F)(F)F
|
|
| MolPort-009-649-072 |
0.63 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Br
|
|
| MolPort-000-697-674 |
0.63 |
CCOC(=O)C1C(CC(=O)C=C1C)C(C)C
|
|
| MolPort-007-549-248 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)Br
|
|
| MolPort-002-798-662 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCBr
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0.63 |
CCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
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|
| MolPort-019-937-374 |
0.63 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)C(O)C(O)C(O)CO
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|
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0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)(C)Br
|
|
| MolPort-046-597-623 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(C)Br
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| MolPort-007-549-249 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(C)I
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0.63 |
CCOC(=O)C1C(CC(C)C)CC(=O)C=C1C
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| MolPort-046-510-442 |
0.63 |
O=C1OC(=O)C2=C1CCCCCC2
|
|
| MolPort-000-741-514 |
0.63 |
CCCCC(CC)C1CC(=O)C=C(C)C1C(=O)OCC
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| MolPort-000-740-119 |
0.63 |
CCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-002-580-099 |
0.63 |
CCN(CC)CC(=O)OCC1C(C)CC(C)=CC1C
|
|
| MolPort-010-699-798 |
0.63 |
C[C@@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@H]2OC1=O
|
|
| MolPort-003-351-312 |
0.63 |
CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O
|
|
| MolPort-002-644-155 |
0.63 |
CC1CC(=C)CC(O1)C1CC=C(C)CC1C
|
|
| MolPort-009-019-193 |
0.63 |
CCCCC\C=C/C\C=C/CC\C=C/CCCC(=O)OC
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|
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0.63 |
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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-911-131 |
0.63 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C)C(C)=O
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|
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0.63 |
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@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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|
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0.63 |
COC(=O)C1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
|
|
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0.63 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(C)=O
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|
| MolPort-002-136-051 |
0.63 |
COC(=O)C1C2CCCCC2=C2CCCCC2C1C(=O)C1=CC=CC=C1
|
|
| MolPort-000-700-683 |
0.63 |
C[C@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
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0.63 |
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
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|
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0.63 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)C(O)=O
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0.63 |
[2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(=O)OCC(O)CO
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|
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0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC21OCCO1
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|
| MolPort-046-774-207 |
0.63 |
Cl.COC(=O)C(C)(N)CC1=CCCCC1
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|
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0.63 |
CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@H]13)C(=O)C2=C
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0.63 |
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
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0.63 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
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0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)CCC(O)=O)C#C
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CC([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C1CC=C(C)C(=O)O1
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CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
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COC(=O)C1C[C@@]2(C)C(CC=C2C(=O)COC(C)=O)C2CCC3=CC(=O)C=C[C@]3(C)C12
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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](OC(C)=O)C(C)(C)C5CC[C@@]34C)C2=C1
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0.63 |
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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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(OC(=O)CCC(O)=O)C#C
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0.63 |
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
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0.63 |
CC(C)OC(=O)CCC\C=C/C[C@H]1[C@@H](O)C[C@@H](O)C1CC[C@@H](CCC1=CC=CC=C1)OC=O
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|
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0.63 |
CC(=O)OCC1=CCC2C(C)(C)CCCC2(C)C11CCC(C)(CC(O)=O)O1
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|
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0.63 |
CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(=O)OCC(O)CO)C(O)CC1=O
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|
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0.63 |
CCCCCC(O)\C=C\[C@H]1C(O)CC(=O)C1C\C=C/CCCC(=O)OCC(O)CO
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0.63 |
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
|
|
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0.63 |
[C@H]1(/C=C/[C@](O)(C)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
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|
| MCULE-1170362647 |
0.63 |
O=C(OCC1C(C)CC=CC1)C(OCC1CC=CCC1C)=O
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|
| MCULE-1652773504 |
0.63 |
C1(/CCC(C/1)C(O)=O)=C(\C)/C
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|
| MCULE-4786049023 |
0.63 |
CC(=O)OC(C)CC/C=C(/C)\C
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|
| MCULE-7136534003 |
0.63 |
CC=CCC1(C(O)=O)CC2(CCC2)C1
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|
| MCULE-2546809155 |
0.63 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
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|
| MCULE-1190191150 |
0.63 |
OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
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|
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0.63 |
C=CCCC[C@@H]1[C@@H](OC(C)=O)C1
|
|
| MCULE-3490312737 |
0.63 |
C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
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|
| MCULE-5225374056 |
0.63 |
CC(C(CC1C2C=CC(CC2)C1)=O)O
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|
| MCULE-7503427022 |
0.63 |
C1(CC=CCC1C(=O)OCC1OC1)C(=O)OCC1OC1
|
|
| MCULE-8616766762 |
0.63 |
C1C(C)(C)C(C(=O)C(=O)OCC)C(=O)C(OC)=C1
|
|
| MCULE-9460650239 |
0.63 |
C(CC)(=O)OC1C2C3(C)CCC4(CC3=CCC2C(O)C(CO)(CC=C)C1)OCCO4
|
|
| MCULE-4966801610 |
0.63 |
C1C[C@]2(C)CC(/C(/CC2[C@@]([C@@H]1OC(C1(OC1C)C)=O)(O)C)=C(\C)/C)=O
|
|
| MCULE-8030446235 |
0.63 |
[C@@H]1(O)C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)[C@H]1O
|
|
| MCULE-9646499830 |
0.63 |
OC(C1(CC=CCC1)CC1C(F)(F)C1)=O
|
|
| MCULE-2434156493 |
0.63 |
OC(C1(CC=CCC1)CC1(C#N)CC1)=O
|
|
| MCULE-8877073560 |
0.63 |
C1C[C@]2(C)C3CC[C@]4([H])C5[C@H](C(C)=C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-9679346580 |
0.63 |
C(O)(C1C2C(=C(C)C)C(C=C2)C1C(O)=O)=O
|
|
| MCULE-3117365017 |
0.63 |
CC1[C@@H]2[C@H]3OC(=O)[C@]4([C@@]5(C)[C@H]6[C@@H]7OC(=O)C(=C)[C@@H]7CC[C@](O)(C)[C@@]6(C=C5)C4)[C@@H]3[C@@H](OC(C)=O)C[C@](O)(C)[C@@H]2CC=1
|
|
| MCULE-1873003390 |
0.63 |
C12(CC34C(C5C(CCC3(C)O)C(C(=O)O5)=C)C1(C)C=C4)C(=O)OC1C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21
|
|
| MCULE-6774088355 |
0.63 |
O=C(C1=CC=CC=C1)COC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-7051647001 |
0.63 |
O=C1CC(CC)C(C(=O)OCC)C(C)=C1
|
|
| MCULE-5053602152 |
0.63 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(C(C)Br)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-7553498370 |
0.63 |
C1(C)=CC(=O)CC(CCCCCCC)C1C(OCC)=O
|
|
| MCULE-3008910536 |
0.63 |
C1(C)=CC(=O)CC(C(CCCC)CC)C1C(OCC)=O
|
|
| MCULE-1260945499 |
0.63 |
C1(C)=CC(=O)CC(CC(C)C)C1C(OCC)=O
|
|
| MCULE-2910628288 |
0.63 |
C1(C)C(CCC(=O)C=1CC)C(OCC)=O
|
|
| MCULE-7048891368 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CC(F)(F)F)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3351915633 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)(C)Br)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6395225361 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CCCl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7763137283 |
0.63 |
C1=C(C)CC(C(COC(CN(CC)CC)=O)C1C)C
|
|
| MCULE-9020843608 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(C(C)Cl)=O
|
|
| MCULE-5409598406 |
0.63 |
C1(C)=CC(=O)CC(CCCCCC)C1C(OCC)=O
|
|
| MCULE-4513472403 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)CCCl
|
|
| MCULE-9523048589 |
0.63 |
C(OCC)(C1C(C)CC(C=C1C)=O)=O
|
|
| MCULE-3268382934 |
0.63 |
C1=C(C)CC(C(COC(=O)C[N+](C)(CC)CC)C1C)C
|
|
| MCULE-1931440399 |
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(=O)C(C)(C)Br
|
|
| MCULE-3038975638 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(C)Cl)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9012319989 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(C)I)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6349353177 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C(C)Br)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7968591564 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)CC(F)(F)F
|
|
| MCULE-1015687242 |
0.63 |
C1(C)=CC(=O)CC(C(C)C)C1C(OCC)=O
|
|
| MCULE-8879489618 |
0.63 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1
|
|
| MCULE-5487707656 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)CCBr)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7543238538 |
0.63 |
C(O)(=O)CCC1C(=O)CCCC=1
|
|
| MCULE-5817726049 |
0.63 |
[C@]12(C)C[C@@H]([C@]3(F)[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C(=O)C)OC(=O)C)O
|
|
| MCULE-6829909415 |
0.63 |
C(C(=O)O)C[C@]1(C)C2CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C=2CC[C@@]1([H])C(=C)C
|
|
| MCULE-2255903955 |
0.63 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O
|
|
| MCULE-4974199679 |
0.63 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-9539048522 |
0.63 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)OC)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
|
|
| MCULE-4393660534 |
0.63 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)OC)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1
|
|
| MCULE-2698249472 |
0.63 |
C1(O)CC2(C)C3CC=C4C5CC(C(=O)OC)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1OC1C(O)C(O)C(O)CO1
|
|
| MCULE-2744861965 |
0.63 |
O=C1C(CC2CC=CC2)COCC1
|
|
| MCULE-2362280572 |
0.63 |
C1(C(C2C=CC=CC=2)=O)C2CCCCC2=C2C(CCCC2)C1C(OC)=O
|
|
| MCULE-7515529172 |
0.63 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
|
|
| MCULE-3223183548 |
0.63 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-8968174107 |
0.63 |
C12(C)CC(C3(F)C4(C)CCC(=O)C=C4CCC3C1CC[C@@]2(C(=O)C)OC(=O)C)O
|
|
| MCULE-3735322024 |
0.63 |
C(O[C@@]1(C(=O)C)[C@]2(C)[C@H]([C@H]3[C@](F)([C@@H](O)C2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
|
|
| MCULE-8011378409 |
0.63 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)CC[C@]2([H])[C@@](CO)(C)C1)=O)=C)C
|
|
| MCULE-1797332425 |
0.63 |
Cl.COC(C(CC1CCCCC=1)(N)C)=O
|
|
| MCULE-7138852957 |
0.63 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-6974616654 |
0.63 |
[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-3919802292 |
0.63 |
[C@]12(C)CC(C(OC)=O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-1984082206 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(CCC(O)=O)=O)C#C)[H]
|
|
| MCULE-6211596290 |
0.63 |
[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-2088102696 |
0.63 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-7062667000 |
0.63 |
[C@@H]1(CC=CC[C@H]1C(O)=O)C(O)=O
|
|
| MCULE-9013163041 |
0.63 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2235884727 |
0.63 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-8120111177 |
0.63 |
C1CC(C)(C(=O)O)C([H])(C(=O)O)CC=1
|
|
| MCULE-9571611941 |
0.63 |
OC(C1(CC=CC1)CC1CC2C(C2)C1)=O
|
|
| MCULE-5494151913 |
0.63 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-8208403883 |
0.63 |
C1(CC=CCC1C(O)=O)C(O)=O
|
|
| MCULE-9169992682 |
0.63 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-5277132939 |
0.63 |
C1[C@@H](C(O)=O)[C@H](C(O)=O)CC=C1
|
|
| MCULE-5448913970 |
0.63 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2277162868 |
0.63 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-1298920669 |
0.63 |
C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-7304039848 |
0.63 |
C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-1204106358 |
0.63 |
COC(=O)CCCCCCC/C=C\CC(C(O)/C=C\C(O)CC)O
|
|
| MCULE-9193800742 |
0.63 |
C1CC(OC(C)=O)C=CCCC1
|
|
| MCULE-1081447415 |
0.63 |
O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
|
|
| MCULE-8316292329 |
0.63 |
C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-8878336671 |
0.63 |
C12([H])CC(=O)C3([H])C(OC4OCCCC4)CC([H])(C=C1)C23[H]
|
|
| MCULE-2147966582 |
0.63 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-1874239104 |
0.63 |
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-5183147951 |
0.63 |
Cl.C1(C(OC)=O)C(N)C2CC1C=C2
|
|
| MCULE-1707075308 |
0.63 |
[C@H]12C[C@@H]([C@@H](C(N)=O)[C@@H]1C(OC)=O)C=C2
|
|
| MCULE-3861744236 |
0.63 |
C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O
|
|
| MCULE-1120014260 |
0.63 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C([C@@H](OC(=O)C)CC(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-5303288459 |
0.63 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| MCULE-3787960701 |
0.63 |
C(=O)(OC1CCC(CC1)C(C)(C)C)C1CC=CCC1C(=O)OC/C(/Cl)=C(/Cl)\Cl
|
|
| MCULE-1937134104 |
0.63 |
C1CC2(C(CCC(C2CCC(CC(O)=O)C)=C)C(C1)(C(=O)OC)C)C
|
|
| MCULE-7198359038 |
0.63 |
C=CCCCCCOC(=O)C
|
|
| MCULE-2860533435 |
0.63 |
C(OCCC(C)CC/C=C(\C)/C)=O
|
|
| MCULE-3359428604 |
0.63 |
C/C(/C)=C/CCC1C(=O)C(C)(C)OC1
|
|
| MCULE-1107229357 |
0.63 |
O=CC1(C2OC(CC2)C1)CC1CC=CC1
|
|
| MCULE-9075563464 |
0.63 |
O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
|
|
| MCULE-4562315733 |
0.63 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(=O)[O-])=O)C2(C)C)COC(CCC(=O)[O-])=O.[Na+].[Na+]
|
|
| MCULE-7563615671 |
0.63 |
CC1OC(C(CC2CC=CC2)=O)CC1
|
|
| MCULE-6357156788 |
0.63 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(CCl)=O)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
|
|
| MCULE-3927730358 |
0.63 |
C(CCl)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-5939300673 |
0.63 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-3172804570 |
0.63 |
C12C(OC(=O)C)CC3(C)C(=CCC3C1CC[C@@]1(C)CC(CCC21C)OC(=O)C)OC(=O)C
|
|
| MCULE-6313611389 |
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(CCl)=O
|
|
| MCULE-5244359815 |
0.63 |
C(CBr)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-2699479252 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(CCl)=O)[C@]1([H])CC[C@]2([H])[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-1871622668 |
0.63 |
CC(=C)C(=O)OC1CC2CC1C=C2
|
|
| MCULE-5004121327 |
0.63 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-7163756961 |
0.63 |
O=C(C(F)(F)F)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-4699905911 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCl)=O
|
|
| MCULE-7068002290 |
0.63 |
C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O
|
|
| MCULE-9530340790 |
0.63 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C
|
|
| MCULE-6921575032 |
0.63 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O
|
|
| MCULE-3423268424 |
0.63 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-8845052705 |
0.63 |
C12C(=O)OC(=O)C1C1C=CC2(C)O1
|
|
| MCULE-2709086584 |
0.63 |
C12C3C(O)C(C)C(O)C3C=C(C)C1CC1C3(C)CCC4OC(=O)C(C12)C(O)(C4C)O3
|
|
| MCULE-7604220648 |
0.63 |
O1C23C4(C5(C6(CCC15C=C2)C=CC4(CC3)O6)C(OC)=O)C(OC)=O
|
|
| MolPort-046-764-698 |
0.63 |
CC12C3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-003-931-014 |
0.63 |
C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-039-338-531 |
0.63 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CCC5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-006-147-884 |
0.63 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5
|
|
| MolPort-002-799-474 |
0.63 |
C[C@@]1(CC=C)[C@H]2CCC[C@H]3COC[C@@]23CCC1=O
|
|
| MolPort-035-706-406 |
0.63 |
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
|
|
| MolPort-002-507-417 |
0.63 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-035-706-347 |
0.63 |
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(C)=O)C4(C)C
|
|
| MolPort-046-764-697 |
0.63 |
CC12C3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-046-690-030 |
0.63 |
COC(=O)C1C(O)C2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-001-789-840 |
0.63 |
OC(=O)[C@@H]1CC=CC[C@H]1C(O)=O
|
|
| MolPort-000-860-879 |
0.63 |
OC(=O)C1CC=CCC1C(O)=O
|
|
| MolPort-021-804-605 |
0.63 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-002-984-651 |
0.63 |
CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O
|
|
| MolPort-001-783-148 |
0.63 |
OC(=O)[C@H]1CC=CC[C@H]1C(O)=O
|
|
| MolPort-046-673-938 |
0.63 |
COC(=O)[C@@H]1CCC=CCC[C@@H]1N
|
|
| MolPort-002-512-334 |
0.63 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-021-804-477 |
0.63 |
CCCCCCCCCCCC(=O)OC12CC(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C1C2(C)C
|
|
| MolPort-046-793-051 |
0.63 |
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-046-033-722 |
0.63 |
COC(=O)[C@@H]1[C@@H]2C[C@H](C=C2)[C@H]1C(N)=O
|
|
| MolPort-002-135-119 |
0.63 |
CC(C)(C)C1CCC(CC1)OC(=O)C1CC=CCC1C(=O)OCC(Cl)=C(Cl)Cl
|
|
| MolPort-021-804-669 |
0.63 |
CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1C2(C)C
|
|
| MolPort-039-052-501 |
0.63 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1[C@H](CC(C)=O)OC(C)=O
|
|
| MolPort-046-790-379 |
0.63 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-002-525-135 |
0.63 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-028-956-564 |
0.63 |
Cl.COC(=O)C1C(N)C2CC1C=C2
|
|
| MolPort-002-513-611 |
0.63 |
CC1=CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-001-756-603 |
0.63 |
CCOC(=O)CCCC=C
|
|
| MolPort-038-948-537 |
0.63 |
CCCCC=C1CCC(CC(O)=O)CC1
|
|
| MolPort-003-912-435 |
0.63 |
CC(CCOC=O)CCC=C(C)C
|
|
| MolPort-001-740-912 |
0.63 |
COC(=O)C1(C)CCCC2(C)C(CCC(C)CC(O)=O)C(=C)CCC12
|
|
| MolPort-023-213-011 |
0.63 |
CC(=O)OCCCCCC=C
|
|
| MolPort-038-948-469 |
0.63 |
CCC=CC1CCC(CC1)C(O)=O
|
|
| MolPort-046-596-339 |
0.63 |
C[C@H]1C2C(CC3C4CC[C@H]5CC(CC[C@]5(C)C4=CC[C@]23C)OC(C)=O)O[C@]11CCC(C)CO1
|
|
| MolPort-035-706-340 |
0.63 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-002-529-404 |
0.63 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl
|
|
| MolPort-044-755-223 |
0.63 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O)OC(C)=O
|
|
| MolPort-002-511-923 |
0.63 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl
|
|
| MolPort-004-947-162 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCl
|
|
| MolPort-046-594-618 |
0.63 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCl
|
|
| MolPort-002-911-077 |
0.63 |
CC(=O)OC1CCC2(C)C3C(CC4(C)C(CC=C4OC(C)=O)C3CC[C@@]2(C)C1)OC(C)=O
|
|
| MolPort-042-923-465 |
0.63 |
CC(=C)C(=O)OC1CC2CC1C=C2
|
|
| MolPort-002-800-183 |
0.63 |
CCOC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-000-762-008 |
0.63 |
[Na+].[Na+].CC(=C)C1CCC2(COC(=O)CCC([O-])=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC([O-])=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-002-525-269 |
0.63 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)C4=CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-002-507-136 |
0.63 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCl
|
|
| MolPort-035-706-337 |
0.63 |
COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O
|
|
| MolPort-029-939-533 |
0.63 |
CC12OC(C)(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-046-764-838 |
0.63 |
[Na+].CCC(C)(C)C(=O)O[C@H]1CC(CO)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-044-830-353 |
0.63 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-044-183-474 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-021-804-724 |
0.63 |
C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
|
|
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0.63 |
CC12OC(C=C1)C1C2C(=O)OC1=O
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CC1C(O)C2C=C(C)C3CC4C(C3C2C1O)C1C(=O)OC2CCC4(C)OC1(O)C2C
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12
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C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
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C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
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C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CCC12
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CCCCC\C=C/C\C=C/C\C=C/CCCC\C=C/CCC(=O)OC
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COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12
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CC([NH3+])(CO)CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
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CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
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CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
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C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O
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CC(CCC1OC1(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
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[NH3+]CCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
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C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]21CCO1
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CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
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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
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C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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O=C1OC(=O)C2=C1CCCCC2
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C=C1CC2(CCCCC2)OC1=O
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C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
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CCOC(=O)C12CCCC1=CC(=O)CC2
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CC(OC(C)=O)C(CC=C(C)C)CC=C(C)C
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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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CCOC(=O)C1CC=CC1
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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](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
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CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
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C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
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CCC1(OC(=O)C2C1C1CCCCC1=C1CCCCC21)C1=CC=CC=C1
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CC1(OC(=O)C2C1C1CCCCC1=C1CCCCC21)C1=CC=CC=C1
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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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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
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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
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1=CC=CC=C1
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CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@H]45)[C@@H]3CC=C2C1
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1=CC=CC=C1
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CCCCCCCC1OC(=O)CCC(O)\C=C\C(O)C1O
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C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1C[C@H]1OC(=O)C(O)[C@@H]21
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CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC6(CC[C@@H](C)CO6)C(C)C45)C3CC=C2C1
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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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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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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC(C=O)=C4Cl)[C@@H]3CC=C2C1
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C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)OC(C)=O
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC1=CC=CC=C1
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CCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
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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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CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC12C)OC(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C=O)=C4Cl)C3CC=C2C1
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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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CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(=O)C[C@]12C
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CCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC6(CC[C@@H](C)CO6)[C@@H](C)C45)C3CC=C2C1
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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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CC1C(O)C2C(CC(C)=C1CCCOC(C)=O)OC(=O)C2=C
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CCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC6(CCC(C)CO6)C(C)C45)C3CC=C2C1
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CCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5O[C@]6(CCC(C)CO6)[C@@H](C)C45)C3CC=C2C1
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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
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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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CCOC(=O)CCCCCCC\C=C/C=C/C(O)C\C=C/CC
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CCCCCCC\C=C\C1CC(=O)OC1=O
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| MolPort-028-854-624 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-596-961 |
0.62 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC[C@]2(C)[C@@H](CCC32O)C2=CC(=O)OC2)C1
|
|
| MolPort-046-693-184 |
0.62 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-002-510-621 |
0.62 |
CCC1(C)CC2(CCO1)CCC(O)C=C2
|
|
| MolPort-002-513-837 |
0.62 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
|
|
| MolPort-021-804-700 |
0.62 |
CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)[C@H](O)[C@@]4(CO)O[C@H]4[C@H]3[C@@H]1C2(C)C
|
|
| MolPort-029-942-993 |
0.62 |
CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C
|
|
| MolPort-006-668-351 |
0.62 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-039-338-790 |
0.62 |
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
|
|
| MolPort-004-015-492 |
0.62 |
O=C(OCC1=CC=C(C=C1)C#N)C1CC2CC1C=C2
|
|
| MolPort-039-338-978 |
0.62 |
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
|
|
| MCULE-8091940383 |
0.62 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-8222265685 |
0.62 |
C1(CC23CC(OC2CCC1(O)C3)=O)/C(/C)=C\C(=O)/C=C(\C)/C
|
|
| MCULE-1509278335 |
0.62 |
[C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
|
|
| MCULE-4994703608 |
0.62 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
|
|
| MCULE-3473010637 |
0.62 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
|
|
| MCULE-6054871485 |
0.62 |
C12C(C(C1Br)Br)C1C=CC2C(C1C(OC)=O)C(OC)=O
|
|
| MCULE-1441261356 |
0.62 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-9787588778 |
0.62 |
C([C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@]4(CC[C@H](OC(=O)C)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2)C)(=O)OCC(N)(CO)CO
|
|
| MCULE-2705141143 |
0.62 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
|
|
| MCULE-6957829896 |
0.62 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
|
|
| MCULE-8015988212 |
0.62 |
C12C(C)(C)C(CC=C1OC(=O)C)C2
|
|
| MCULE-7003052133 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-9301632354 |
0.62 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-2411412323 |
0.62 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
|
|
| MCULE-1310747899 |
0.62 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1
|
|
| MCULE-3733595575 |
0.62 |
C(/C)(\C)=C/C1C(C)(C)C1C(=O)OC1CC(=O)C(CC=C)=C1C
|
|
| MCULE-9492209912 |
0.62 |
[I-].C1=C(C)CC(C(COC(=O)C[N+](C)(CC)CC)C1C)C
|
|
| MCULE-3193343372 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-9616259526 |
0.62 |
C12CCCCCC=1C(=O)OC2=O
|
|
| MCULE-7272779592 |
0.62 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-3605854604 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2503470402 |
0.62 |
C1C[C@]2([H])C[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-7112192425 |
0.62 |
COC(C(CC1CC=CCC1)N)=O
|
|
| MCULE-6066053107 |
0.62 |
COC1C(C(C2CCCCC=2)=O)C1
|
|
| MCULE-1910819843 |
0.62 |
COC1C(C(C2CCCCCCC=2)=O)C1
|
|
| MCULE-7541730655 |
0.62 |
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-8972335438 |
0.62 |
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-8056155072 |
0.62 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
|
|
| MCULE-6215916748 |
0.62 |
OC(C1(CC=CC1)CC1CC1)=O
|
|
| MCULE-8629297693 |
0.62 |
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-5820761773 |
0.62 |
OC(C1(C2CCCCCC2)CC=CC1)=O
|
|
| MCULE-6569795323 |
0.62 |
COCC(=O)CC/C(/C)=C(\C)/C
|
|
| MCULE-6540776662 |
0.62 |
CC1(CCC1)CC1(C(O)=O)CC=CC1
|
|
| MCULE-5384515579 |
0.62 |
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-2795374734 |
0.62 |
OC(C1(C2CCCC2)CC=CC1)=O
|
|
| MCULE-4248274366 |
0.62 |
OC(C1(CC=CC1)CC1CCCC1)=O
|
|
| MCULE-6699414453 |
0.62 |
CC1(CCCC1)CC1(C(O)=O)CC=CC1
|
|
| MCULE-3699449483 |
0.62 |
OC(C1(C2CCC2)CC=CC1)=O
|
|
| MCULE-1283574747 |
0.62 |
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-5699942525 |
0.62 |
O(C(C)C(C/C=C(/C)\C)C/C=C(\C)/C)C(C)=O
|
|
| MCULE-5702475533 |
0.62 |
C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
|
|
| MCULE-6852628228 |
0.62 |
OC(C1(CC=CC1)CC1CCC1)=O
|
|
| MCULE-4960112087 |
0.62 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@@H](C1)[C@@H](O)C[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-9856889345 |
0.62 |
C1(CC)(C2=CC=CC=C2)OC(C2C3C(CCCC3)=C3CCCCC3C12)=O
|
|
| MCULE-5300363462 |
0.62 |
C1(C)(C2C=CC=CC=2)OC(C2C3C(CCCC3)=C3CCCCC3C12)=O
|
|
| MCULE-5611461738 |
0.62 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H].C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-6852340934 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(CCCCC)=O)[C@]1([H])C[C@H]1[C@@H]2[C@H](C)[C@]2(O1)CC[C@H](CO2)C)[H]
|
|
| MCULE-1637424025 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCC)=O)C1CC1C2C(C)C2(O1)CCC(CO2)C
|
|
| MCULE-5379315675 |
0.62 |
C[C@@]12[C@@H](OC(CCC3C=CC=CC=3)=O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-4781798555 |
0.62 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)(C(=CC3)C(=O)COC(C)=O)C[C@H](O)C21)C)=O
|
|
| MCULE-4387351983 |
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])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-6074025811 |
0.62 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-9628114351 |
0.62 |
[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-6932223026 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C(C#N)C(N)=O)C2C(C)=O
|
|
| MCULE-4620731410 |
0.62 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC1C=CC=CC=1)=O)C)=O
|
|
| MCULE-3584333382 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C=O)=C2Cl)[H]
|
|
| MCULE-9844998074 |
0.62 |
C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-6328864567 |
0.62 |
[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-8329941805 |
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](C)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3192041589 |
0.62 |
[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]
|
|
| MCULE-5462754937 |
0.62 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(CC)=O
|
|
| MCULE-5122697862 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2OC(CCC1C=CC=CC=1)=O
|
|
| MCULE-8015339526 |
0.62 |
[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-4824233854 |
0.62 |
C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
|
|
| MCULE-7118099436 |
0.62 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C=O
|
|
| MCULE-4900002928 |
0.62 |
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-1096386206 |
0.62 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(C)[C@@H](OC(CCC5C=CC=CC=5)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-5111011872 |
0.62 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC1C=CC=CC=1)=O)C)=O
|
|
| MCULE-4494500718 |
0.62 |
[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-3481914833 |
0.62 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
|
|
| MCULE-4877956227 |
0.62 |
[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-3712584936 |
0.62 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
|
|
| MCULE-2014190393 |
0.62 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C(O)=O
|
|
| MCULE-1014190195 |
0.62 |
C1(OCC(=C1C)CCCCC(=O)O)=O
|
|
| MCULE-6704649592 |
0.62 |
C1(=O)C=C(O)CC(C)C1C(OC)=O
|
|
| MCULE-6340794511 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)OC(C)=O)[H])C1COC(=O)C=1
|
|
| MCULE-7555892876 |
0.62 |
O=C1OCC([C@@H]2[C@]3(C)[C@]([C@]4([C@@](CC3)([H])[C@]3(C)[C@](C[C@H](CC3)O)([H])CC4)[H])(O)CC2)=C1
|
|
| MCULE-5690818300 |
0.62 |
OC12CCC(C3=CC(=O)OC3)C1(CCC1([H])C3(CCCCC3([H])CCC21[H])C)C
|
|
| MCULE-7391544076 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-4474407886 |
0.62 |
O=C1CC(C=CCCCCCCCCCCCC)C(=O)O1
|
|
| MCULE-2541512222 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-9857504924 |
0.62 |
O=C1CC(C=CCCCCCCCCCCCCCCCCCCCC)C(=O)O1
|
|
| MCULE-1542720935 |
0.62 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(O)C2)C1COC(=O)C=1
|
|
| MCULE-6233963999 |
0.62 |
O1C(=O)CC(C=CCCCCCCCCCC)C1=O
|
|
| MCULE-5066919092 |
0.62 |
CC1(C(C(CC2CC=CC2)=O)CCO1)C
|
|
| MCULE-4087973137 |
0.62 |
O=C(C1COCC1)CC1CC=CC1
|
|
| MCULE-4868794833 |
0.62 |
O=CC1(COCCC1)CC1CC=CC1
|
|
| MCULE-6636867897 |
0.62 |
C(OCC)(=O)CCC(=CC#N)C
|
|
| MCULE-9462321600 |
0.62 |
CC1OCC(C(CC2CC=CC2)=O)C1
|
|
| MCULE-8887971464 |
0.62 |
CC1(C(C=O)(CC2CC=CC2)CCO1)C
|
|
| MCULE-5040101309 |
0.62 |
CC1C(C(CC2CC=CC2)=O)CCO1
|
|
| MCULE-7810067739 |
0.62 |
O=CC1(COCC1)CC1CC=CC1
|
|
| MCULE-5157212193 |
0.62 |
C1=CC(O)CCC21CCOC(C)(CC)C2
|
|
| MCULE-9189273119 |
0.62 |
C(OCC)(CC(O)C(C)=CC)=O
|
|
| MCULE-9572199976 |
0.62 |
O=C(C1COCCC1)CC1CC=CC1
|
|
| MCULE-3416493799 |
0.62 |
CC1C(CC/C=C(\C)/C)C(=O)CO1
|
|
| MCULE-8416626381 |
0.62 |
C/C(/C)=C/CCC1C(=O)COC1
|
|
| MCULE-4871716191 |
0.62 |
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-1423169810 |
0.62 |
C12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@]1(O[C@H]1[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O)CO
|
|
| MCULE-1935435552 |
0.62 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
|
|
| MCULE-4664859512 |
0.62 |
O=C(C1C2C=CC(C2)C1)OCC1=CC=C(C#N)C=C1
|
|
| MCULE-2712089938 |
0.62 |
C(=O)(OC1CCN(CC1)C)C1C(C(=O)O)C2CC1C=C2
|
|
| MCULE-1756564730 |
0.62 |
O=C1C(C(C(CC)=C1O)=O)C(C(OCC)=O)=O
|
|
| MCULE-2677105428 |
0.62 |
C(OC(=O)C1CC=CCC1C(OCC=C)=O)(C(F)(F)F)C(F)(F)F
|
|
| MCULE-1691349217 |
0.62 |
O=C1CC2CCC1(OC)C=C2
|
|
| MCULE-9208347604 |
0.62 |
C1(OC(=O)C)=CCCCCCCCCCC1
|
|
| MCULE-3238309101 |
0.62 |
C12(CCC(C(C(=O)O)C1C(=O)O)C=C2)C(=O)O
|
|
| MCULE-6179991618 |
0.62 |
C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H]
|
|
| MCULE-4810985269 |
0.62 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-5743151165 |
0.62 |
C(C1C=CC=CC=1)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21C)=O)[H]
|
|
| MCULE-2972497233 |
0.62 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-7449988542 |
0.62 |
[C@@]12(C/C=C(\C)/C)[C@H](C(=O)C(=O)C(C)C)[C@](C)(CC/C=C(\C)/C)[C@@H](C/C=C(/C)\C)C[C@@](C/C=C(\C)/C)(C(=O)O1)C2=O
|
|
| MCULE-9522782233 |
0.62 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)O)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)CO1
|
|
| MCULE-6454869415 |
0.62 |
C(C1C=CC=CC=1)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O)[H]
|
|
| MCULE-2528413632 |
0.62 |
CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
|
|
| MCULE-4275950574 |
0.62 |
[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-5773428311 |
0.62 |
C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
|
|
| MCULE-9209606443 |
0.62 |
C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
|
|
| MCULE-1226714425 |
0.62 |
C(C(=O)C)(CCC=C)C(=O)OCC
|
|
| MCULE-5059257985 |
0.62 |
[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-6333102371 |
0.62 |
C1(C)(CCC(=C)C1(C)C)C(=O)C(OC)=O
|
|
| MCULE-4871834352 |
0.62 |
OC(C1(CC=CC1)CC1(CCCC1)O)=O
|
|
| MCULE-2313378449 |
0.62 |
C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-8055009685 |
0.62 |
C1(CC(CCC1C(C)=C)C)OC(C)=O
|
|
| MCULE-2439368404 |
0.62 |
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC
|
|
| MCULE-8824898935 |
0.62 |
C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
|
|
| MCULE-3575236024 |
0.62 |
C1(C)(C)C(=C)CCC1C(O)C(OC)=O
|
|
| MCULE-2674225616 |
0.62 |
OC1C(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-2605863241 |
0.62 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-2653535248 |
0.62 |
C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
|
|
| MCULE-8374913301 |
0.62 |
CC1(C(C2(C(O)=O)CC=CC2)CCC1)O
|
|
| MCULE-2671029853 |
0.62 |
[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-6557448423 |
0.62 |
C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
|
|
| MCULE-4819154807 |
0.62 |
C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-8101826824 |
0.62 |
C1(CCC(=C)C1(C)C)C(=O)C(OC)=O
|
|
| MCULE-3141539281 |
0.62 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-5390747778 |
0.62 |
[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-1455068472 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-1158671172 |
0.62 |
O1C(=O)C2=C(CCCC2)C1=O
|
|
| MCULE-4710541318 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C#N
|
|
| MCULE-7539073774 |
0.62 |
O=C1C(C)=C2CCC3(C)CC4C(CC3C2CC1)OC(C)(C)O4
|
|
| MCULE-5470759504 |
0.62 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
|
|
| MCULE-9931270158 |
0.62 |
C(C(Cl)Cl)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
|
|
| MCULE-4343790137 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8493622164 |
0.62 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-9024401259 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-4702150704 |
0.62 |
C(CC=C)(C(=O)OCC)(C(=O)OCC)C(C)CCC
|
|
| MCULE-5189438807 |
0.62 |
C1(C(C(/C=C(/C)\CCC2OC(=O)C=C2C)=O)C(C(C(C(O)/C=C(/C)\C)=O)C)CC1)C
|
|
| MCULE-3650069558 |
0.62 |
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-3724839505 |
0.62 |
C1(C(Cl)(Cl)Cl)C(Cl)C2C1C1C=CC2C(C1C(OC)=O)C(OC)=O
|
|
| MCULE-3897208487 |
0.62 |
C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(C)=O
|
|
| MCULE-8771172896 |
0.62 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-6114828313 |
0.62 |
OC1C(C2(C(O)=O)CC=CC2)COC1
|
|
| MCULE-7551178459 |
0.62 |
C12CCC3(C)C(CCC3C1CCC1CCCC(=O)C21C)OC(=O)C
|
|
| MCULE-9865183654 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CC(CC4C3CCC2(C1)[H])=O
|
|
| MCULE-9145801664 |
0.62 |
C123CCC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C1CCC(C(=C)[C@H]2OC(=O)/C(/C)=C\C)C3
|
|
| MCULE-3166371929 |
0.62 |
C12(C)CCC3C(CCC4([H])CC(=O)CCC34C)C1CCC2(C)OC(C)=O
|
|
| MCULE-9904933861 |
0.62 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCCC12C)(C)C
|
|
| MCULE-4292201487 |
0.62 |
C1(C(OCC2CCCCC2)=O)CCCCC1
|
|
| MCULE-1592446720 |
0.62 |
C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C
|
|
| MCULE-2724365529 |
0.62 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-2429094011 |
0.62 |
C1(CC(C)CCC1C(C)C)OC(=O)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC1
|
|
| MCULE-7580636459 |
0.62 |
[C@]12(C)[C@@H](O)CCC(=C)C1COC2=O
|
|
| MCULE-4212655398 |
0.62 |
C1=CC2C(OC(C)=O)C3OC(=O)C4([H])C1C2C34
|
|
| MCULE-5751414985 |
0.62 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MCULE-7548186826 |
0.62 |
C12CC3CC(CC(C3)C1COC(=O)C1(CCCCC1)C)C2
|
|
| MCULE-7613417621 |
0.62 |
O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1
|
|
| MCULE-4894965151 |
0.62 |
[H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1CC2
|
|
| MCULE-2222797068 |
0.62 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]4(O)[C@]3(O)CC=C2C[C@H]1O
|
|
| MCULE-9962130573 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1)OC(C)=O
|
|
| MCULE-6935719222 |
0.62 |
OC(C1C(CC2CC=CCC2)CCC1)=O
|
|
| MCULE-7270634760 |
0.62 |
OC(C1C(CC2CC=CCC2)CC1)=O
|
|
| MCULE-9618013702 |
0.62 |
O=C1C=C2C(COCC2)CC1
|
|
| MCULE-5682812292 |
0.62 |
CC1(C(OCC23CC4CC(CC(C4)C2)C3)=O)CCCCC1
|
|
| MCULE-1755461261 |
0.62 |
[C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
|
|
| MCULE-3184680198 |
0.62 |
C(C)(=O)OC1CC2(C(C)(CCC=1)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2)[H]
|
|
| MCULE-9697320146 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1CC[C@]2(C)OC(C)=O
|
|
| MCULE-1528374574 |
0.62 |
OC(C1(CCC1)CC1CC=CCC1)=O
|
|
| MCULE-4802281287 |
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@]2([H])CC(OC)=O)[H]
|
|
| MCULE-6475414699 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2C1)C(OC)=O
|
|
| MCULE-7796574971 |
0.62 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-5859140606 |
0.62 |
CC1CC(C(O)=O)(CC2CC=CCC2)C1
|
|
| MCULE-3837802763 |
0.62 |
C1CCCC(COC(CCCCC(OCC2CCCCC2)=O)=O)C1
|
|
| MCULE-9289500370 |
0.62 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-1003241522 |
0.62 |
C12(C)CCC(C(C)=O)CC1CCC1C3C(C)(CCC21)C(OC(C)=O)CC3
|
|
| MCULE-6702392455 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2(C1)[H])=O
|
|
| MCULE-8343058967 |
0.62 |
C1(Br)(C(OCC)=O)C2CC(C=C2)C1C(O)=O
|
|
| MCULE-1416228379 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1)OC(C)=O
|
|
| MCULE-9338438818 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2(C1)[H])=O
|
|
| MCULE-3090499793 |
0.62 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-7834175041 |
0.62 |
C12CCC(C(C)OC(=O)C)C1(C)CCC1C3(C)CCC(=O)C[C@]3([H])CCC21
|
|
| MCULE-2670149083 |
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@@H]2C(O)=O)[H]
|
|
| MCULE-7170701411 |
0.62 |
O=C(C1CCCCC1)OC1CCCCC1
|
|
| MCULE-8890616965 |
0.62 |
CCC[C@@]1(CC[C@@](OC([C@@]2(CC[C@@]([C@@]3(CC[C@@](CCC)(CC3)[H])[H])(CC2)[H])[H])=O)(CC1)[H])[H]
|
|
| MCULE-5699937164 |
0.62 |
O=C(C1OCCOC1)CC1CC=CCC1
|
|
| MCULE-3647202316 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(O)=O)CCC4C3CCC2(C1)[H])=O
|
|
| MCULE-7417377682 |
0.62 |
OC(C1(CC1)CC1CC=CCC1)=O
|
|
| MCULE-6438933973 |
0.62 |
CC(C(CC1CC=CCC1)=O)(O)C
|
|
| MCULE-3480016146 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])C(O)=O
|
|
| MCULE-9108579368 |
0.62 |
[C@]12(C)CCCC(=O)[C@]1(C)CC[C@@H]2[C@H](C)COC(C)=O
|
|
| MCULE-9064624408 |
0.62 |
[H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1CC2=O)OC(C)=O
|
|
| MCULE-3385554756 |
0.62 |
O=C1CC2(C)C3CCC4(C)C(CCC4C3CCC2(CC1)[H])OC(C)=O
|
|
| MCULE-4327573427 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CC(OC)=O)CCC4C3CCC2(C1)[H])OC(C)=O
|
|
| MCULE-7861314355 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2OC(C)=O)[H]
|
|
| MCULE-4561105887 |
0.62 |
COC([C@H]1C[C@H](N)C=CC1)=O
|
|
| MCULE-8762650671 |
0.62 |
O=C1CCC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-9326656323 |
0.62 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7252099279 |
0.62 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C
|
|
| MCULE-5929092480 |
0.62 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O
|
|
| MCULE-8721851502 |
0.62 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
|
|
| MCULE-7427942194 |
0.62 |
C(C1CCCC=C1)(=O)C(OCC)OCC
|
|
| MCULE-3929496045 |
0.62 |
O=C1CCC(OCC2CC=CC2)CC1
|
|
| MCULE-3178410726 |
0.62 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1
|
|
| MCULE-2357370492 |
0.62 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-3965188829 |
0.62 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C
|
|
| MCULE-2058016705 |
0.62 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-1935892487 |
0.62 |
C1(C(OCC)=O)CC1C=CC(N)=O
|
|
| MolPort-030-005-334 |
0.62 |
CCOC(=O)C12CCCC1=CC(=O)C2
|
|
| MolPort-045-968-203 |
0.62 |
FC(F)(F)C(OC(=O)C1CC=CCC1C(=O)OCC=C)C(F)(F)F
|
|
| MolPort-044-650-184 |
0.62 |
OC(=O)C1C2CCC(C=C2)(C1C(O)=O)C(O)=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
|
|
| MolPort-001-739-739 |
0.61 |
CC1C2C(O)C(=O)C3(C)C(CCC4\C(C(CC34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)C2(C)CCC1=O
|
|
| MolPort-023-278-854 |
0.61 |
O=C1OC(=O)[C@@H]2[C@@H]3O[C@@H](C=C3)[C@H]12
|
|
| MolPort-027-846-993 |
0.61 |
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
|
|
| MolPort-002-527-583 |
0.61 |
CC(=O)OCC(=O)C1=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
|
|
| MolPort-003-930-188 |
0.61 |
O=C1OC(=O)[C@@H]2C3OC(C=C3)[C@H]12
|
|
| MolPort-002-528-017 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-510-172 |
0.61 |
CC(C)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-002-530-370 |
0.61 |
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
|
|
| MolPort-046-764-837 |
0.61 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-002-509-815 |
0.61 |
CC(=O)OCC(=O)C1=CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-000-826-397 |
0.61 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
|
|
| MolPort-000-831-345 |
0.61 |
CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
|
|
| MolPort-046-141-149 |
0.61 |
Cl.COC(=O)C(N)CC1CCC=CC1
|
|
| MolPort-046-790-373 |
0.61 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-023-334-680 |
0.61 |
CC1=CC(=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@]13C2[C@@H](O)[C@@H]4O
|
|
| MolPort-005-945-455 |
0.61 |
CC1C(O)C2(OC(C)=O)C(C3C=C(CO)CC4C(C=C(C)C4=O)C13O)C2(C)C
|
|
| MolPort-005-943-994 |
0.61 |
C[C@H]1[C@@H]2[C@H](OC(C)=O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MolPort-046-763-074 |
0.61 |
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-044-754-056 |
0.61 |
CC1=CC(=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
|
|
| MolPort-038-980-614 |
0.61 |
CSCC(C)(C)C(=O)OCC1CCC=CC1
|
|
| MolPort-046-153-715 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-507-211 |
0.61 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CCC3C[C@@H](O)CC[C@]3(C)C1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-004-955-165 |
0.61 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1
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|
| MolPort-003-666-004 |
0.61 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1CC2O)C1=CC(=O)OC1
|
|
| MolPort-039-338-147 |
0.61 |
C[C@]12CC[C@@H]3[C@@]4(C)CC[C@H](O)C[C@H]4CC[C@@]3(O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-035-705-878 |
0.61 |
CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@@](O)(C[C@H](OC(C)=O)[C@@H]21)C(=C)C3=O
|
|
| MolPort-007-549-369 |
0.61 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-007-549-410 |
0.61 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-035-705-881 |
0.61 |
CC(=O)O[C@H]1C[C@@H]2[C@]3([C@H](O)[C@@H]1C(=C)C3=O)[C@H](O)C[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C
|
|
| MolPort-002-529-799 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O
|
|
| MolPort-002-508-311 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-002-511-271 |
0.61 |
CC(=O)C1CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
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|
| MolPort-003-724-684 |
0.61 |
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-006-114-296 |
0.61 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-507-406 |
0.61 |
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-509-108 |
0.61 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-000-692-426 |
0.61 |
CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2=O
|
|
| MolPort-002-526-653 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-794-180 |
0.61 |
C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CCC2=O
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|
| MolPort-003-941-834 |
0.61 |
CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
|
|
| MolPort-008-427-020 |
0.61 |
CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
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|
| MolPort-035-834-808 |
0.61 |
CC1=CC(CC(C)(C)C1)OC(=O)CC1CCCO1
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|
| MolPort-002-534-301 |
0.61 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
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|
| MolPort-002-508-542 |
0.61 |
CCCCCCCCCCCC(=O)C1=C(CC(C)(C)C(C(=O)OC)C1=O)OC
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|
| MolPort-046-691-457 |
0.61 |
CC\C=C\CC1C(CC(O)=O)CCC1=O
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|
| MolPort-046-418-658 |
0.61 |
CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
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|
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0.61 |
C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
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0.61 |
CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
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| MolPort-044-195-719 |
0.61 |
C1C[C@H]2O[C@H]2CC\C=C/1
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|
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0.61 |
C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
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|
| MolPort-006-119-261 |
0.61 |
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
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|
| MolPort-023-332-000 |
0.61 |
C1OCC2CC=CCC12
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|
| MolPort-003-911-807 |
0.61 |
C1CC2OC2CC\C=C/1
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|
| MolPort-046-596-926 |
0.61 |
CC12CC3OC33C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
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|
| MolPort-003-873-328 |
0.61 |
C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
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| MolPort-035-706-428 |
0.61 |
C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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|
| MolPort-021-804-667 |
0.61 |
CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
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|
| MolPort-035-706-206 |
0.61 |
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-002-511-069 |
0.61 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
|
|
| MolPort-023-330-852 |
0.61 |
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-035-706-345 |
0.61 |
COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1CC[C@H]2C(=C)CO)[C@H](C)CC\C=C(/C)C=O
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|
| MolPort-029-879-134 |
0.61 |
COC(=O)C1CCCC=C1
|
|
| MolPort-046-153-143 |
0.61 |
CC(C)[C@H]1CC[C@]2(C)C([C@H]1C(C=O)=C2C)C(O)=O
|
|
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0.61 |
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
|
|
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0.61 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
|
|
| MCULE-5993142660 |
0.61 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(O)CC1C3(C(CC(CC3)O)CCC12)C
|
|
| MCULE-9407663226 |
0.61 |
O=C(C12COCC1C2)C1CCCC=1
|
|
| MCULE-5598679764 |
0.61 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21C
|
|
| MCULE-4697381379 |
0.61 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7369936803 |
0.61 |
[C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
|
|
| MCULE-5541619791 |
0.61 |
[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
|
|
| MCULE-9463473752 |
0.61 |
C1C2OC2CCC=CC1
|
|
| MCULE-4428892848 |
0.61 |
C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
|
|
| MCULE-8928261768 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
|
|
| MCULE-3176715940 |
0.61 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-7500403231 |
0.61 |
[C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-9840181952 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-1625834654 |
0.61 |
C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-9630312174 |
0.61 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
|
|
| MCULE-6414357750 |
0.61 |
[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-8836163795 |
0.61 |
C12CC3CC4CC5C(=O)OC(=O)C=5CC=4CC=3CC=1C(OC2=O)=O
|
|
| MCULE-7373542872 |
0.61 |
C12C3C(C)(CCC(C)(C(=O)OC(C)CN4CCOCC4)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-1895908355 |
0.61 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])[C@@H]2O[C@]12C
|
|
| MCULE-6657834214 |
0.61 |
CC1C(C(CC2CC=CC2)=O)OCC1
|
|
| MCULE-4849477341 |
0.61 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-7507181537 |
0.61 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-7720595428 |
0.61 |
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-8437877954 |
0.61 |
CC(C#N)CC1(C(O)=O)CC=CCC1
|
|
| MCULE-7223116058 |
0.61 |
CC(C#N)(CC1(C(O)=O)CC=CCC1)C
|
|
| MCULE-5107744915 |
0.61 |
CC1(C(CC2CC=CC2)=O)OCCC1
|
|
| MCULE-4461071719 |
0.61 |
OC1(C2CCOCC2)C2C=CC(C2)C1
|
|
| MCULE-5222768441 |
0.61 |
CC(C1(C(O)=O)CC=CCC1)CC#N
|
|
| MCULE-3205912309 |
0.61 |
C12(CCC(C(C)(C)C1=C)(C(OC)=O)C2)C(OC)=O
|
|
| MCULE-7375016319 |
0.61 |
[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
|
|
| MCULE-7364178948 |
0.61 |
O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@@H]1[C@](C2[C@@](C[C@@H]1O)(C)C1CC=C3C4CC(C=O)(C)CC[C@]4(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)CC[C@@]3(C)[C@]1(C)CC2)(CO)C
|
|
| MCULE-6907761760 |
0.61 |
BrC12C(OC(C1C1CC2C=C1)=O)=O
|
|
| MCULE-3928791581 |
0.61 |
C[C@H]1[C@@H]([C@](C[C@@H](OC(=O)CO)C2([C@H](C)CCC31CCC(=O)[C@]32[H])C)(C)C=C)O
|
|
| MCULE-1789440443 |
0.61 |
O=C(O)C1C(N)C2CCC1C=C2
|
|
| MCULE-1118824383 |
0.61 |
O=C(CO)O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@]23CC[C@@H](C)[C@]1([C@]2([H])C(=O)CC3)C
|
|
| MCULE-1218828659 |
0.61 |
C1(COC(N)=O)(COC(N)=O)C(C)CC(=CC1C)C
|
|
| MCULE-2046245375 |
0.61 |
C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C
|
|
| MCULE-2554240445 |
0.61 |
C(OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
|
|
| MCULE-7484851551 |
0.61 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
|
|
| MCULE-7921441859 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)(C#C)OC(C)=O
|
|
| MCULE-5236688455 |
0.61 |
[C@]12(O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-9660798204 |
0.61 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-1400269697 |
0.61 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-4509171836 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CC=C2C#N)C)OC(C)=O
|
|
| MCULE-2030478341 |
0.61 |
[C@]12([H])C(C)=CC(=O)C1=C(C)CC[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-3762190089 |
0.61 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MCULE-5162812783 |
0.61 |
C12C(C)=CC(=O)C1=C(C)CCC1C(C)C(=O)OC12
|
|
| MCULE-3046418352 |
0.61 |
CCCCCCCC/C=C/CCCCCCCC(=O)O
|
|
| MCULE-5077473579 |
0.61 |
C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
|
|
| MCULE-9547538729 |
0.61 |
CCCCCCCCC=CCCCCCCCC(O)=O
|
|
| MCULE-8191255112 |
0.61 |
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
|
|
| MCULE-1022777486 |
0.61 |
C(OC)(=O)C(CCCC=C)CCCC=C
|
|
| MCULE-7592205580 |
0.61 |
C(/CCCCCC(C)CC)=C/CCCCC(O)=O
|
|
| MCULE-1843303649 |
0.61 |
C(CCCCCCCC=C)(OC)=O
|
|
| MCULE-7702176615 |
0.61 |
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
|
|
| MCULE-2455123915 |
0.61 |
C(C)(OCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)=O)=O
|
|
| MCULE-6044533117 |
0.61 |
OC(CCCCCCC/C=C\CCCCCCCC)=O
|
|
| MCULE-5551120975 |
0.61 |
C(CCCCCCCCC=C)(OC)=O
|
|
| MCULE-3248745724 |
0.61 |
C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
|
|
| MCULE-8054022250 |
0.61 |
C(CCCCCCCCC=CCCCCCC)(O)=O
|
|
| MCULE-8513857573 |
0.61 |
C(OC(C)=O)CCCCCC=O
|
|
| MCULE-1046270451 |
0.61 |
OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
|
|
| MCULE-7761893081 |
0.61 |
C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
|
|
| MCULE-9914820446 |
0.61 |
C(/CCCCCCC(C)C)=C/CCCCC(O)=O
|
|
| MCULE-8798348917 |
0.61 |
C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
|
|
| MCULE-7864191553 |
0.61 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-5285000603 |
0.61 |
[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)=O)F
|
|
| MCULE-8537995697 |
0.61 |
[C@@H]1(O[C@@H]2OC[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@]([C@]2([C@@](C)([C@@]3([H])CC=C4[C@]5([H])C[C@](C(OC)=O)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC2)C[C@@H]1O)[H])(C)CO
|
|
| MCULE-2203626367 |
0.61 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-5334855595 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)OC)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1
|
|
| MCULE-4115143726 |
0.61 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-2834153710 |
0.61 |
C1(=O)C=C2[C@](C)(CC1)[C@]1(F)[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)C)CC3)CC2
|
|
| MCULE-4416390021 |
0.61 |
CC(OCC([C@]1(CC[C@@]2([C@@]1(CC([C@@]1(F)[C@]2(CCC2=CC(CC[C@]12C)=O)[H])=O)C)[H])O)=O)=O
|
|
| MCULE-3329762529 |
0.61 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)OC)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1
|
|
| MCULE-5774128743 |
0.61 |
C12(C)CC(O)C3(C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O)F
|
|
| MCULE-4761848352 |
0.61 |
CC1(C(=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-9205570843 |
0.61 |
C(O)(CC(=O)O)C(C/C=C\CCCCC)C(=O)O
|
|
| MCULE-6145534296 |
0.61 |
C12(C)CCCC(C)(C)C1CCC(C)(OC(C)=O)C2CCC(C)(C=C)OC(C)=O
|
|
| MCULE-8752174219 |
0.61 |
CCOC1CCC(=CC(O)C)CC1
|
|
| MCULE-3989562438 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C=C)(CCC4C3CCC2(C1)[H])OC(C)=O
|
|
| MCULE-1873537798 |
0.61 |
C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
|
|
| MCULE-1387376761 |
0.61 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-9996412338 |
0.61 |
C12OC(=O)C(C)(C3C(C(O)=O)C45CC(=C)C(O)(CCC4C3=C1)C5)C2O
|
|
| MCULE-6267867370 |
0.61 |
C12(C(C)(C)C)C=CC1(C(=O)C2(C)O)C(C)(C)C
|
|
| MCULE-1693376379 |
0.61 |
CCC(OC)C(O)C/C=C\C/C=C\CCCCCCCC(=O)O
|
|
| MCULE-1323295889 |
0.61 |
C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
|
|
| MCULE-1541926426 |
0.61 |
C1C[C@]2(C)C3=CC[C@@]4([C@@]([C@@H](C[C@@]4(C)C3=CC[C@@]2([H])C([C@H]1O)(C)C)O)([H])[C@H](C(O)=O)CCC(=C)C(C)C)C
|
|
| MCULE-9335291007 |
0.61 |
CC1(C(=O)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-4426803651 |
0.61 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
|
|
| MCULE-3372508582 |
0.61 |
CC(C(N)=O)OC(C1C(C)(C)C1/C=C(\C)/C)=O
|
|
| MCULE-4332829228 |
0.61 |
Cl.COC([C@H]1C[C@H](N)C=CC1)=O
|
|
| MCULE-6988220591 |
0.61 |
C12C(OCCOC(=O)C(C)=C)CC(C3C=CCC13)C2
|
|
| MCULE-3773780560 |
0.61 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
|
|
| MCULE-4077568356 |
0.61 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
|
|
| MCULE-9325062630 |
0.61 |
[N+]1(C)(CCOCC1)CC(=O)OCC1C(C)CC(=CC1C)C
|
|
| MCULE-1866389787 |
0.61 |
C1CC2(C(=O)OC)CC=CCCC2=CC1=O
|
|
| MCULE-6576560001 |
0.61 |
[C@H]1(C[C@@H](OC(=O)/C=C(/CC)\C)C(=C)[C@]2([H])CC(=O)[C@@]([H])([C@@]12[H])[C@H](OC(C)=O)C)C(C)C
|
|
| MCULE-5291547123 |
0.61 |
[C@@]12([H])CC(=O)[C@H]([C@@H](OC(C)=O)C)[C@@]1([H])[C@H](C(C)C)C[C@@H](OC(=O)/C=C(\C)/CC)C2=C
|
|
| MCULE-5304194793 |
0.61 |
CCC(C)=CC(OC1C(=C)C2CC(C(C(OC(C)=O)C)C2C(C(C)C)C1)=O)=O
|
|
| MCULE-8051121697 |
0.61 |
C1(=CC(=O)OCC2C3CCC(C3(C)C)(C)C2=O)C2CCC(C2(C)C)(C)C1=O
|
|
| MCULE-6985217011 |
0.61 |
C1=C(C)CC(C(COC(=O)CN2CCOCC2)C1C)C
|
|
| MCULE-6568122363 |
0.61 |
[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-2768288313 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)C1[C@]([H])([C@@]3([H])[C@@](CC=1)(C)C(C(=O)COC(C)=O)=CC3)CC2
|
|
| MCULE-2427659817 |
0.61 |
[C@]12(C)CC[C@@H](C=C1C=C[C@@]1([H])C3[C@@](C)([C@@]4(CC3)CCC(=O)O4)CCC12)OC(C)=O
|
|
| MCULE-4883338517 |
0.61 |
C12C3C(C)(CCC(C)(C(=O)N4CCCCC4)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-6265512453 |
0.61 |
C12C3C(C)(CCC(C)(C(=O)N4CCCCCC4)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-9464612382 |
0.61 |
C12(C)CCC(=CC1=CCC1([H])C2([H])CCC2(C1([H])CCC12CCC(=O)O1)C)OCC
|
|
| MCULE-5657172823 |
0.61 |
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-6477809398 |
0.61 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-8068988767 |
0.61 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])CC=C2C(=O)COC(=O)C
|
|
| 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-4814758018 |
0.61 |
[H]C1(CCC(=C(C)C1(C)C)OC(C)=O)C(N)=O
|
|
| MCULE-3718325887 |
0.61 |
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-6981908624 |
0.61 |
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-4118307977 |
0.61 |
[C@]12(C)CC(C(OC)=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-7034575967 |
0.61 |
[C@]12(C(C)(O)CC(OCC)=O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-6170311136 |
0.61 |
[C@]12(C)CCC(=CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]12CCC(=O)O1)C)OCC
|
|
| MCULE-7327063265 |
0.61 |
C(OCCCCOC(C1CCC=CC1)=O)(C1C=CC=CC=1)=O
|
|
| MCULE-9315688246 |
0.61 |
C1CC23C4C=C(C)C5(C(C(=C(C5=O)C)O)(C4(CCC2C(C)(C1OC3=O)C)C)C(OC)=O)C
|
|
| MCULE-9688459180 |
0.61 |
CCCCCCCCC=CCCCCCCCC(O[C@](CO)([C@]1(OC[C@](OC(CCCCCCCC=CCCCCCCCC)=O)([C@]1(OC(CCCCCCCC=CCCCCCCCC)=O)[H])[H])[H])[H])=O
|
|
| MCULE-7212452003 |
0.61 |
C1C(C)C2=C(C(OCC)=O)C(=O)CC2([H])C1
|
|
| MCULE-2080072252 |
0.61 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)OC(=O)OCC)=O
|
|
| MCULE-2442515222 |
0.61 |
C1C[C@]2([H])[C@@](C)(CCC3=CCOC3=O)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-7010605333 |
0.61 |
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-9449984869 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-4586192863 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
|
|
| MCULE-4823405948 |
0.61 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
|
|
| MCULE-7903486032 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(C)CC(O)C5OC5(C)C)CCC4(C)C3=CCC2C(C)(C)C1O
|
|
| MCULE-8807729080 |
0.61 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
|
|
| MCULE-6919222464 |
0.61 |
CC(C=C(CC1COCC1)C)=O
|
|
| MCULE-2506206785 |
0.61 |
[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-4690967590 |
0.61 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
|
|
| MCULE-1131719628 |
0.61 |
[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-8546366669 |
0.61 |
[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]
|
|
| MCULE-6997832079 |
0.61 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-1022445986 |
0.61 |
C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C
|
|
| MCULE-8934792698 |
0.61 |
C1(=O)OC(C2C3C=CC(O3)C21)=O
|
|
| MCULE-8183332147 |
0.61 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(C)C
|
|
| MCULE-5590291859 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](OC(C)=O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3449642272 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-6243457309 |
0.61 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-2150444872 |
0.61 |
C12=CC[C@]3(C(CC=C3C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-5035790043 |
0.61 |
[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
|
|
| MCULE-8249868726 |
0.61 |
C1(=O)OC([C@@H]2[C@H]3C=C[C@H](O3)[C@@H]21)=O
|
|
| MCULE-7839875220 |
0.61 |
C1=CC23CCCCC2(C(=O)OC3=O)C=C1
|
|
| MCULE-4560274884 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C1N=N1)=O
|
|
| MCULE-6114441516 |
0.61 |
COC1C(C(C2CCCCCC=2)=O)C1
|
|
| MCULE-9127530652 |
0.61 |
Cl.COC(C(CC1CC=CCC1)N)=O
|
|
| MCULE-1981205050 |
0.61 |
CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1
|
|
| MCULE-2041000423 |
0.61 |
[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-8538526232 |
0.61 |
O(C(C)=O)C12C(C)(C)C1C1C(O)(C(C)C2O)C2C=C(C)C(C2CC(CO)=C1)=O
|
|
| MCULE-7462445595 |
0.61 |
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-8328775128 |
0.61 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@](C5=CC(=O)OC5)([H])CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O
|
|
| MCULE-7217652406 |
0.61 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-4097681428 |
0.61 |
[C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@]([C@H](O)C1)(C)[C@@H](C1=CC(=O)OC1)CC3)CC2
|
|
| MCULE-7140625389 |
0.61 |
C1(O)(CC2C=CC(O2)C1)C(C)C(O)=O
|
|
| MCULE-5234178765 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC=C4[C@]3([H])CC[C@@]2([H])C[C@H]1O
|
|
| MCULE-5124685906 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3(O)CC[C@]2([H])C[C@H]1O
|
|
| MCULE-6061453971 |
0.61 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)[C@H](O)C[C@]2([H])[C@@](COC(=O)C)(C)C1)=O)=C)C
|
|
| MCULE-9448074752 |
0.61 |
CSCC(C(OCC1CC=CCC1)=O)(C)C
|
|
| MCULE-2726162135 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CCC2C(C)=O
|
|
| MCULE-2818532213 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2575982393 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O
|
|
| MCULE-5522120199 |
0.61 |
C1(O)(CC2C=CC(O2)C1)CC(O)=O
|
|
| MCULE-7010357679 |
0.61 |
C12(C)CCC3(CC1=CCC1C2CCC2(C1CCC2=O)C)OCCO3
|
|
| MCULE-7243993523 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(CO)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-5727001856 |
0.61 |
O=C(C12COCC1C2)C1CCCCCC=1
|
|
| MCULE-3919630131 |
0.61 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CC(O)C1C2CCC2CC(O)CCC21C
|
|
| MolPort-019-937-193 |
0.61 |
CC1(CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O
|
|
| MolPort-001-741-064 |
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)C2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
|
|
| MolPort-002-536-935 |
0.61 |
CC1CC(C)=CC(C)C1(COC(N)=O)COC(N)=O
|
|
| MolPort-006-395-732 |
0.61 |
C[C@@H]1CCC23CCC(=O)[C@H]2C1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
|
|
| MolPort-046-793-300 |
0.61 |
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
|
|
| MolPort-023-274-354 |
0.61 |
CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
|
|
| MolPort-009-194-208 |
0.61 |
CC1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
|
|
| MolPort-003-942-089 |
0.61 |
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C\CCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-046-764-971 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](Cl)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC
|
|
| MolPort-003-849-776 |
0.61 |
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-046-764-970 |
0.61 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](Cl)COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
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|
| MolPort-001-741-109 |
0.61 |
CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
|
|
| MolPort-000-706-450 |
0.61 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C#N)C3CC=C2C1
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|
| MolPort-003-848-396 |
0.61 |
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-046-765-210 |
0.61 |
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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|
| MolPort-003-939-719 |
0.61 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
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|
| MolPort-046-765-209 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
|
|
| MolPort-002-509-263 |
0.61 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45O)C3CC=C2C1
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|
| MolPort-002-520-554 |
0.61 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C#N)[C@@H]3CC=C2C1
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|
| MolPort-046-689-896 |
0.61 |
[2H]C([2H])(OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C1([2H])OC1([2H])[2H]
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| MolPort-039-138-962 |
0.61 |
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
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| MolPort-002-507-134 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)[C@@H](CC=C4C#N)[C@@H]3CC=C2C1
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|
| MolPort-046-690-307 |
0.61 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
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|
| MolPort-044-183-412 |
0.61 |
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
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| MolPort-046-764-975 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
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|
| MolPort-046-764-967 |
0.61 |
[2H]C([2H])(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)C([2H])(Cl)C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
|
|
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0.61 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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|
| MolPort-046-418-939 |
0.61 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC
|
|
| MolPort-035-918-672 |
0.61 |
CC(=O)OCCCCCCC=O
|
|
| MolPort-003-959-881 |
0.61 |
CCCCCC\C=C/CCCCCCCCCC(O)=O
|
|
| MolPort-002-529-356 |
0.61 |
[NH3+]CCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-001-788-274 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(O)=O
|
|
| MolPort-003-958-711 |
0.61 |
CCCC\C=C/CCCCCCCC(O)=O
|
|
| MolPort-003-959-363 |
0.61 |
CCCCCCCCCCC\C=C/CCCCC(O)=O
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|
| MolPort-001-742-456 |
0.61 |
CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
|
|
| MolPort-002-507-045 |
0.61 |
COC(=O)CCCCCCCC=C
|
|
| MolPort-039-010-546 |
0.61 |
OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
|
|
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0.61 |
CCCCCC\C=C/CCCCCCCCC(O)=O
|
|
| MolPort-046-682-866 |
0.61 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCC(N)(CO)CO
|
|
| MolPort-003-959-025 |
0.61 |
CCCCCCCC\C=C/CCCCCCCCC(O)=O
|
|
| MolPort-001-780-043 |
0.61 |
CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
|
|
| MolPort-003-958-761 |
0.61 |
CCCC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-035-882-134 |
0.61 |
CCCC\C=C/CCCCCCCCC(O)=O
|
|
| MolPort-002-507-193 |
0.61 |
C[C@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(C)=CC3=O
|
|
| MolPort-003-941-268 |
0.61 |
CCCCCC\C=C/CCCCCCCCCCCC(O)=O
|
|
| MolPort-019-995-875 |
0.61 |
COC(=O)CCCC(C)=C
|
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| MolPort-028-747-855 |
0.61 |
CCCCCCCCC=CCCCCCCCCCCCC(O)=O
|
|
| MolPort-009-019-440 |
0.61 |
CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
|
|
| MolPort-003-933-468 |
0.61 |
CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
|
|
| MolPort-028-747-803 |
0.61 |
CCCCCCC=CCCCCCCCC(O)=O
|
|
| MolPort-044-727-743 |
0.61 |
CCCC\C=C\CCCCCCCCC(O)=O
|
|
| MolPort-044-727-744 |
0.61 |
CCCCCC\C=C\CCCCCCCCC(O)=O
|
|
| MolPort-000-762-106 |
0.61 |
[NH3+]CC(O)C[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-000-712-098 |
0.61 |
COC(=O)CCCCCCCCC=C
|
|
| MolPort-000-771-103 |
0.61 |
[NH3+]CCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-009-019-328 |
0.61 |
CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
|
|
| MolPort-021-804-454 |
0.61 |
CCC(C)CCCCC\C=C/CCCCC(O)=O
|
|
| MolPort-009-019-234 |
0.61 |
CCCCC\C=C/CCCCCCCCCCCCC(O)=O
|
|
| MolPort-009-019-050 |
0.61 |
CCCCCCCC\C=C/CCCCCC(O)=O
|
|
| MolPort-003-939-503 |
0.61 |
CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
|
|
| MolPort-006-169-615 |
0.61 |
CCCCCC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-000-882-023 |
0.61 |
CCCCCCCC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-006-112-294 |
0.61 |
CCCCCC\C=C\CCCCCCCCCC(O)=O
|
|
| MolPort-003-849-687 |
0.61 |
CCCCCCCCC=CCCCCCCCC(O)=O
|
|
| MolPort-044-650-172 |
0.61 |
CCCCCCCCCCCCCC\C=C\CCCC(O)=O
|
|
| MolPort-002-517-064 |
0.61 |
[NH3+]CC(O)C[NH3+].C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-044-179-518 |
0.61 |
CC1C2CCC(C)=C3C([C@H]2OC1=O)C(C)=CC3=O
|
|
| MolPort-003-933-080 |
0.61 |
CCCCCC\C=C/CCCC(O)=O
|
|
| MolPort-001-739-604 |
0.61 |
CC(C)CCCCCC\C=C/CCCCC(O)=O
|
|
| MolPort-003-925-831 |
0.61 |
CCCCCCCC\C=C\CCCCCCCCCC(O)=O
|
|
| MolPort-046-763-123 |
0.61 |
CCCC\C=C/CCCCCCCCCC(O)=O
|
|
| MolPort-046-426-181 |
0.61 |
CCCCCCCCCCC\C=C\CCCCC(O)=O
|
|
| MolPort-003-933-186 |
0.61 |
CCCCCCCC\C=C/CCCCCCCCCC(O)=O
|
|
| MolPort-001-740-137 |
0.61 |
CCCCCC\C=C/CCCCCCCC(O)=O
|
|
| MolPort-023-332-220 |
0.61 |
OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-046-426-229 |
0.61 |
CCCCCCCCCCC\C=C/CCCCCCC(O)=O
|
|
| MolPort-039-338-979 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-766 |
0.61 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-020-005-884 |
0.61 |
COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-528-701 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
|
|
| MolPort-046-790-483 |
0.61 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-039-052-333 |
0.61 |
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@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-000-841-107 |
0.61 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C
|
|
| MolPort-029-943-083 |
0.61 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-046-158-516 |
0.61 |
C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
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0.61 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
|
|
| MolPort-029-943-098 |
0.61 |
CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
|
|
| MolPort-027-835-851 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]12C
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|
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0.61 |
CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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|
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0.61 |
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
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C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-002-528-276 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
|
|
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0.61 |
CC(=O)OC(C)(CC[C@H]1[C@@](C)(CC[C@H]2C(C)(C)CCC[C@]12C)OC(C)=O)C=C
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|
| MolPort-039-138-852 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
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|
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CC12C(O)C(OC1=O)C=C1C3CCC4(O)CC3(CC4=C)C(C21)C(O)=O
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0.61 |
CCCCC\C=C/CC(C(O)CC(O)=O)C(O)=O
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|
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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|
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0.61 |
CC(=O)OC(C)(CCC1C(C)(CCC2C(C)(C)CCCC12C)OC(C)=O)C=C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
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CCOC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
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COC(=O)C12CCC(C1C1CCC3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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CCOC(=O)CC\C=C\C\C=C\C\C=C\C\C=C\C\C=C\C\C=C\CC
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CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
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CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)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](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
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CCC(OC)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O
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CC(C)(C)C12C=CC1(C(C)(C)C)C(C)(O)C2=O
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CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
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CC(OC(=O)C1C(C=C(C)C)C1(C)C)C(N)=O
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CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
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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
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CCC(C)=CC(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C
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CCOC1=CC2=CCC3C4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CC1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)C3C=CC2=C1
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CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(=O)N2CCCCCC2)C1(C)C
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COC(=O)C1CC2OC1C=C2
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CCOC(=O)CC(C)(O)[C@@]12O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(C)=O
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CC1CC(C)=CC(C)C1COC(=O)C[N+]1(C)CCOCC1
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CC1CC(C)=CC(C)C1COC(=O)CN1CCOCC1
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CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3C=CC2=C1
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CC(C)OC(=O)CCC\C=C/C[C@H]1[C@H](C[C@@H](O)C1CC[C@H](O)CCC1=CC=CC=C1)OC=O
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CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CCC(=O)OC1(CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(C)=O
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CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
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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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
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CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)[C@@H]2[C@H](C)OC(C)=O)C1=C
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CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=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](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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COC(=O)C1C[C@@]2(C)[C@@H](C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@H]12
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CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)[C@@H]2[C@@H](C)OC(C)=O)C1=C
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CCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
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CCCC12CCC(CC1)(CC2)OC(=O)C1CC2(C1)CC(C2)C(=O)OC12CCC(CCC)(CC1)CC2
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CC(=O)OC[C@]12CC[C@H](C1[C@H]1CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=O
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CC(=O)OC12CC3CC(C1)C(=O)C(C3)C2
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CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CC[C@@H]3CC(=O)CC[C@]3(C)C12
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CC1C2CC3(C)CC1(C)CC(C2)(C3)C1(C)CC(=O)O1
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CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)C23)C1
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CC1(CC(=O)O1)C12CC3CC(CC(C3)C1)C2
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CC(=O)O[C@@H]1C[C@@]23C[C@]1(C)CCC2[C@]1(C)CCC[C@](C)([C@H]1CC3)C(O)=O
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CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CCC(=O)[C@@]4(C)CCC23)C1
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CCCC1CCC(CC1)C1CCC(CC1)OC(=O)C1CC2(C1)CC(C2)C(=O)OC1CCC(CC1)C1CCC(CCC)CC1
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CCCCCC12CCC(CC1)(CC2)OC(=O)C1CC2(C1)CC(C2)C(=O)OC12CCC(CCCCC)(CC1)CC2
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]23)C1
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CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
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CC12CC3(C)CC(COC(=O)C45CC6CC(CC(C6)C4)C5)(C1)CC(COC(=O)C14CC5CC(CC(C5)C1)C4)(C2)C3
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CC(OC(C)=O)C1CCC2C3CC[C@H]4C[C@@H](CC[C@]4(C)C3C(=O)C[C@]12C)OC(C)=O
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COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
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COC(=O)[C@]1(C)CCC[C@@]2(C)C3CC[C@@H]4C[C@]3(CC4=C)CCC12
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CC(=O)O[C@@H]1C[C@@]2(C)C(CC[C@@H]2C(C)=O)[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)C12
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O=C1CC2(CCCCC2)CCO1
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CC1(C)CC2(CCCCC2)C(=O)O1
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CC(C\C=C\CC(C)C(O)CC(O)=O)C(O)CC(O)=O
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CC(=O)CC1C(C)(CCC2C(C)(C)CCCC12C)OC(C)=O
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CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
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CC(=O)OC1CCC(CC1)C(O)=O
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CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
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CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC(=O)C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
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C[C@@H]1CC2C3CCC4C[C@@H](CC[C@]4(C)C3[C@@H](C[C@]2(C)C1C(C)=O)OC(C)=O)OC(C)=O
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CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
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CC(=O)OC1CCC2(C)C3C(CC[C@@]2(C)C1)C1CCC(=O)C1(C)CC3=O
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COC(=O)CC[C@@H](C)[C@H]1CCC2C3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)C3C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O
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CC(CCC(O)=O)C1CC[C@H]2[C@@H]3[C@@H](CC4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O
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O=C1CC2(CO1)CCCCC2
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COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)CC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
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CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1CC3=O)OC(C)=O
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CC1(C)C2CCC1(C)C(C2)OC(=O)C12CC3CC(CC(C3)C1)C2
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CC(=O)O[C@@H]1CCC2[C@@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(C)(C)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
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CCOC(=O)CCCCCCC(Br)=C
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CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
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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
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CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
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CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
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CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
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CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
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CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
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CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
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C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
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CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21C(=O)CO
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0.60 |
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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0.60 |
CC(C)(C[C@H]1C[C@H](CO)C=C1)OC(N)=O
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|
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0.60 |
CC12CCC3C(CCC4CC(O)CCC34CO)C1=CCC2C1=CC(=O)OC1
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|
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0.60 |
CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
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0.60 |
CC(=O)[C@@]1(O)CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
|
|
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0.60 |
CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
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|
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0.60 |
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@@](C)(CO)C=C5CO)[C@@H]2[C@]1(C)O)C(O)=O
|
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0.60 |
CC(=O)C1(O)CCC2C3CC=C4CC5(CCC4(C)C3CCC12C)OCCO5
|
|
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0.60 |
CC(=O)OC(C)(C)CCC1OC(C)(C)O[C@]1(C)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)C3CC[C@]12C
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0.60 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC(C)=O)[C@@H]12
|
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0.60 |
CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C(C)(C)C)C=C1C
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0.60 |
CC(=O)OC\C=C(/C)C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O
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CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@@H]([C@@H]1C2(C)C)C4=O
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CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC(C)=O)[C@@H]12
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CC(=O)OC1CC(OC2CCC(C)=C(C=O)C12C)C(C)(C)O
|
|
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0.60 |
COC(=O)C1CCCC2=C(C)C(=O)CCC12C(=O)OC
|
|
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CCCCC1OC(=O)C2=CCCCC12
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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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0.60 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
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0.60 |
CC1CC(C)=CCC1C1OC[C@@H]2CC1C(C)=CC2C
|
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0.60 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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|
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0.60 |
CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
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0.60 |
C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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|
| MolPort-003-891-893 |
0.60 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
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|
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0.60 |
CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
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0.60 |
CCCCCC1OCC2(CC)C(C)C1C(C)C=C2C
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|
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0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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CCCCCC(OC(C)=O)C=C
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|
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0.60 |
CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
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|
| MolPort-008-346-783 |
0.60 |
CCCC1OC[C@H]2C(C)C=C(C)C1C2C
|
|
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0.60 |
CC(CCC(OC(C)=O)C(C)=C)C=C
|
|
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0.60 |
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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0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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0.60 |
C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O
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0.60 |
[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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0.60 |
COC(=O)C1=C(C2CCC1CC2)C(=O)OC
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0.60 |
CC(C)C1OC[C@@H]2CC=C(C)[C@H]1C2
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|
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0.60 |
CC(C)C1OCC2CC1C(C)=CC2C
|
|
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0.60 |
CC(C)(OC(=O)C1C2CC(C=C2)[C@@H]1C(=O)OCC(Cl)=C)C#C
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0.60 |
CCCC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
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0.60 |
CC1=CCC(CC1)C1OC[C@@H]2CC=C(C)[C@H]1C2
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|
| MolPort-002-511-480 |
0.60 |
CC(C)C1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
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|
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0.60 |
CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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0.60 |
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
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0.60 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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|
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0.60 |
C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
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0.60 |
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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0.60 |
[2H]C([2H])(Cl)C([2H])(O)C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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0.60 |
[2H]C([2H])(Cl)C([2H])(O)C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
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|
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0.60 |
CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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0.60 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
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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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|
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0.60 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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CCCCCCCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CCCCCCCCCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CC(C)C1OC[C@H]2C[C@@H]1C(C)=CC2C
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CCCCCCCCCCCCC(O)\C=C\CCC(O)=O
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CC(C)C1OC(C)(C)C2CC=C(C)C1C2
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C\C(=C/CO)C1C(C)=CC2CC(C)(O)CC(C2C1(C)C(=O)CCO)C(O)=O
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0.60 |
CCCCCCCCCC[NH3+].C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
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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@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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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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CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
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|
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0.60 |
CCCCCCCCCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
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|
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C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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|
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CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
|
|
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0.60 |
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC(CC(O)=O)OC
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0.60 |
COC(=O)C1C2C=CC(C3CC23)C1C(=O)OCC(=O)C1=CC=CC=C1
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|
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0.60 |
CCOC(=O)C1C2C=CC(C3CC23)C1C(=O)OCC(=O)C1=CC=CC=C1
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|
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0.60 |
[NH3+]CCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
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0.60 |
CCC(C)OC(=O)C1C2C=CC(C3CC23)C1C(=O)OCC(=O)C1=CC=CC=C1
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|
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0.60 |
CCCOC(=O)C1C2C=CC(C3CC23)C1C(=O)OCC(=O)C1=CC=CC=C1
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|
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CC(C)C12CCC(C)(O1)C(CC\C(C)=C/CCC1(C)OC1C2)OC(C)=O
|
|
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CC(C)(OC(=O)C1C2CC(C=C2)C1C(=O)OCC(Cl)=C)C#C
|
|
| MolPort-046-153-176 |
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COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
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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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C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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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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|
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CCC(=O)OCC(C)CCC1=C(C)C2C(CC3C4CC[C@H]5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)CC)O1
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|
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CC1C=C(C)C2C(C)C1COC2C1CCC(C)=CC1
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|
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CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@H](CC[C@@H]12)C(=C)C3=O
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|
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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(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
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CCCC1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-000-720-642 |
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CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
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CC1OC(C)(C)C2CC=C(C)C1C2
|
|
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0.60 |
CC1=CCC(CC1)C1OCC2CC=C(C)C1C2
|
|
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0.60 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@@]45CC[C@]6(C)C(CCC7[C@@]8(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C8CC[C@@]67C)C4C(C)C(C)=CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O
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|
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CCl
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|
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CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(O)CCl
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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
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CC(OC(C)=O)[C@]1(CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
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OC(=O)C(C1CCC=C1)C(O)=O
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CC1C=C(C)[C@H]2C(C)[C@@H]1COC2C1CCC(C)=CC1
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CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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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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C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
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CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2C(=O)O[C@@H]1O
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CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
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| MolPort-002-511-699 |
0.60 |
CC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MCULE-9401569110 |
0.60 |
C12CC1C1C(C(=O)OCC(C3=CC=CC=C3)=O)C(C(OC)=O)C2C=C1
|
|
| MCULE-9654628102 |
0.60 |
O(C(CCC(C)C=C)C(C)=C)C(C)=O
|
|
| MCULE-5014476622 |
0.60 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-6127095715 |
0.60 |
C1(C)=CC(C)C2C(C)C1C(CCC)OC2
|
|
| MCULE-5277306782 |
0.60 |
O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
|
|
| MCULE-7170821286 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
|
|
| MCULE-2358670355 |
0.60 |
O=C1C=C2[C@@]3(C4[C@](C=C2)([H])[C@@]2([H])[C@]([C@@](CC2)(CCC(=O)O)O)(C(=O)OC3)CC4)CC1
|
|
| MCULE-1834182578 |
0.60 |
CC1(C)CC2C(C(OC3OC(CO)C(O)C(O)C3O)=O)(CCC3(C)C4(C)CCC5C(CO)(C)C(O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-5195759281 |
0.60 |
O[C@@H]1[C@H]([C@@H](OC[C@H]1O)O[C@@H]1[C@](C2[C@@](C[C@@H]1O)(C)C1CC=C3C4CC(C)(C)CC[C@]4(C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=O)CC[C@@]3(C)[C@]1(C)CC2)(CO)C)O
|
|
| MCULE-6426429596 |
0.60 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
|
|
| MCULE-7623122514 |
0.60 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-8746775494 |
0.60 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-4340391803 |
0.60 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1
|
|
| MCULE-9672207738 |
0.60 |
O1[C@]2([H])[C@@]3([H])C(C)=CC[C@@]43O[C@]4(C)CC[C@@]2([H])C(=C)C1=O
|
|
| MCULE-9408406006 |
0.60 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-2320096475 |
0.60 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-9191884874 |
0.60 |
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-8586253123 |
0.60 |
C12(C=NO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-4221216202 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(C1C=CC=CC=1)=O)C)=O
|
|
| MCULE-4925230891 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C1=CC=CC=C1)=O)C)=O
|
|
| MCULE-2858651865 |
0.60 |
O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O
|
|
| MCULE-7361304189 |
0.60 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-5021218903 |
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])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-6114611450 |
0.60 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O
|
|
| MCULE-2266958285 |
0.60 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C=C
|
|
| MCULE-3689694523 |
0.60 |
C1(C(CCC)=O)=C(OC)CC(C(C(OC)=O)C1=O)(C)C
|
|
| MCULE-5558502153 |
0.60 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-1077978348 |
0.60 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)C(=O)O[C@@H]1CC[C@@]2(C(=CCC3C2CC[C@@]2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-1503513619 |
0.60 |
[I-].[N+]1(C)(CCOCC1)CC(=O)OCC1C(C)CC(=CC1C)C
|
|
| MCULE-3756805391 |
0.60 |
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-1450642271 |
0.60 |
O=C(/C=C(/C=C(/C[C@@H](CCCC[C@H]1OC(=O)[C@@H]1CO)C)\C)\C)O
|
|
| MCULE-2706959260 |
0.60 |
[C@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(OCC1C=CC=CC=1)=O)CC3)C(=O)C2=CC
|
|
| MCULE-6357389651 |
0.60 |
CCOC(C1CCCC=1)CC(O)=O
|
|
| MCULE-8236546660 |
0.60 |
O(C(=O)C)[C@@H]1C[C@@H](C)[C@@](O)([C@@]2(C1C(C)(C)CCC2)C)CCC1COC(=O)C=1
|
|
| MCULE-7238325614 |
0.60 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H]
|
|
| 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-5323981543 |
0.60 |
C1C2(O)COC(=O)C2C(C(O)C(=C)C(=O)O)C(C(C)C)C1
|
|
| MCULE-6384602125 |
0.60 |
OC(C1(COCCC1)CC1CC=CC1)=O
|
|
| MCULE-6898850815 |
0.60 |
COC1C(C(C2CCCC=2)=O)C1
|
|
| MCULE-7117172040 |
0.60 |
C1CCCCCCCCC(C(OC)=O)=C1
|
|
| MCULE-6709791224 |
0.60 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-6464655857 |
0.60 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MCULE-8828485995 |
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(=C)C)CC[C@]21C)O)(C)C
|
|
| MCULE-2700455616 |
0.60 |
C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
|
|
| MCULE-4970766691 |
0.60 |
C12C=CCC1C1C(OCC=C)CC2C1
|
|
| MCULE-8031195256 |
0.60 |
[C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
|
|
| 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-1877150050 |
0.60 |
C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
|
|
| MCULE-9707443606 |
0.60 |
C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
|
|
| MCULE-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-9221014004 |
0.60 |
C(=O)(OCCCCCCCCCC)CCCCCCCCCCCCCCCCC
|
|
| MCULE-4769500186 |
0.60 |
C(CCCCCCCC(OCCCC)=O)(OCCCC)=O
|
|
| MCULE-7477359153 |
0.60 |
CCCOC(CCC1CCCCC1)=O
|
|
| MCULE-6987366501 |
0.60 |
C(OCCCCCCCCC)(=O)CCCCCCCCC
|
|
| MCULE-1334027164 |
0.60 |
C1(CCCCCCCC(OCCCCCCO1)=O)=O
|
|
| MCULE-1125010033 |
0.60 |
C(OCCCCCCCCCCC)(=O)CCCCCCCCCCC
|
|
| MCULE-7084311679 |
0.60 |
C(CCCCC(OCCCCCCCC)=O)(OCCCCCCCC)=O
|
|
| MCULE-4032241301 |
0.60 |
C(CCCCC(OCCCCCCC)=O)(OCCCCCCC)=O
|
|
| MCULE-8472052724 |
0.60 |
C1(=O)C2C3C4C5C(C(OC(C)=O)C4C4CCC1C43)C1CCCC1C25
|
|
| MCULE-3692667490 |
0.60 |
C1(CCCCCCCCCCCCO1)=O
|
|
| MCULE-3888851261 |
0.60 |
C1(CCCCCCCCCCCCCCCCO1)=O
|
|
| MCULE-6269466037 |
0.60 |
CCCCCCC(=O)OCCCCCCC
|
|
| MCULE-2035004839 |
0.60 |
CCCOC(C12CC3CC(CC(C3)C1)C2)=O
|
|
| MCULE-7351726936 |
0.60 |
CCCCCC(CC)OC(CCCCCC(C)C)=O
|
|
| MCULE-8320881747 |
0.60 |
C(CCCCCCCC)(OCCCCCCCCCC)=O
|
|
| MCULE-6466268295 |
0.60 |
CCCCCCCCCCCC(=O)OC(C)=O
|
|
| MCULE-5663210635 |
0.60 |
O(C(CCCCCCCCCCC)=O)CCC(C)C
|
|
| MCULE-6539746773 |
0.60 |
CCCCCCCCCC(OCCCC)=O
|
|
| MCULE-2467601128 |
0.60 |
C1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-2893862044 |
0.60 |
[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
|
|
| MCULE-5723562399 |
0.60 |
C(CCCCCCCCCCC)(OCCCCCC)=O
|
|
| MCULE-7557196830 |
0.60 |
C(O)(=O)CCCCC(OCC(CC)CCCC)=O
|
|
| MCULE-2611969931 |
0.60 |
[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-2821419023 |
0.60 |
CCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-5345549530 |
0.60 |
CCCCCCCCCCCCCCCCCC(=O)OCCCC
|
|
| MCULE-8310329513 |
0.60 |
CCCCCCCCC(=O)OCCCCCCCC(C)C
|
|
| MCULE-2237516421 |
0.60 |
C1(CCCCCCCCCCCCCCO1)=O
|
|
| MCULE-9352428885 |
0.60 |
C(OCCCCCCCCCCCCCCCCCC)(=O)CCCCCCCCCCCCC
|
|
| MCULE-3709996250 |
0.60 |
CCCCCCCC(=O)OCC(CCCC)CC
|
|
| MCULE-5253414141 |
0.60 |
C(CCCCCCCCCCCCCCC)(OCCCC)=O
|
|
| MCULE-3338209346 |
0.60 |
C(=O)(CCCCCCCCC)OCCCCCCCCCC
|
|
| MCULE-3644991073 |
0.60 |
C(C(CCCC)CC)(=O)OCCCCC
|
|
| MCULE-3944997049 |
0.60 |
CCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-1248316974 |
0.60 |
C/C(/C)=C/CCC1(CCC(=O)CC1)O
|
|
| MCULE-2229580115 |
0.60 |
C(CCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-1539012535 |
0.60 |
C(CCCCCCCC(=O)OCCCC)C(=O)OCCCC
|
|
| MCULE-5288085450 |
0.60 |
C(CC)(CCCC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
|
|
| MCULE-1369951366 |
0.60 |
C(CC)(CCCC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
|
|
| MCULE-4177272069 |
0.60 |
C(CCCCCCCCCCCC)CCCCCC(OCCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-2049616097 |
0.60 |
C(CCCCCCCCCCC)CCCCCC(OCCCCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-6767000432 |
0.60 |
C1CCC(C(O)=O)CCC=1
|
|
| MCULE-9709477902 |
0.60 |
C(CCCCCCCCC)CCCCCC(OCCCCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-8629194941 |
0.60 |
C1(C(CCCCCCCCCCCCCO1)C)=O
|
|
| MCULE-7099724921 |
0.60 |
C(CCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-4748825211 |
0.60 |
CCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-1915432159 |
0.60 |
C(CCCCCCCCCCCCC)(OCCCC)=O
|
|
| MCULE-4188975486 |
0.60 |
O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
|
|
| MCULE-4445541874 |
0.60 |
CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
|
|
| MCULE-5646678690 |
0.60 |
C1CCCCOC(=O)CCCCC1
|
|
| MCULE-3634959067 |
0.60 |
C(OCCCC)(C(CCCC)CC)=O
|
|
| MCULE-7240766244 |
0.60 |
C1([C@H](CCCCCCCCCCCO1)C)=O
|
|
| MCULE-5437260800 |
0.60 |
O=C(CCCCCCCCC(OCCCCCCCC)=O)OCCCCCCCC
|
|
| MCULE-6922362601 |
0.60 |
C1(CCCCCCCCC(OCCCCCCO1)=O)=O
|
|
| MCULE-4462350535 |
0.60 |
C(CCCCCCCCCCC)(OCCCC)=O
|
|
| MCULE-3725120076 |
0.60 |
C(CCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCC)=O
|
|
| MCULE-4312908702 |
0.60 |
C1CCCOC(=O)CCCCCCCCCCC1
|
|
| MCULE-2750319430 |
0.60 |
O(C(CCCCC(=O)OCC(CC)CCCC)=O)CC(CC)CCCC
|
|
| MCULE-4191771315 |
0.60 |
O(CCC(C)C)C(=O)CCCCCCCCC
|
|
| MCULE-4515016182 |
0.60 |
C(=O)(CCCCCCC)OCCCCCCCC
|
|
| MCULE-1034351657 |
0.60 |
O(C(CCCCCCCC)=O)CC(CC)CCCC
|
|
| MCULE-3222494622 |
0.60 |
C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
|
|
| MCULE-9380541113 |
0.60 |
C1(CCCCCCCCCCCO1)=O
|
|
| MCULE-1523962840 |
0.60 |
CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
|
|
| MCULE-4411639685 |
0.60 |
O=C(CCCCCCC)OCCCCC
|
|
| MCULE-7099810797 |
0.60 |
C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCCC
|
|
| MCULE-3564339989 |
0.60 |
C(CCCCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
|
| MCULE-3725120888 |
0.60 |
C(CCCCCCCC(OCCCCCCCC)=O)(OCCCCCCCC)=O
|
|
| MCULE-8006114836 |
0.60 |
C1(C2C3C4(C(C=C2)C1(C#N)C#N)CC(=O)OC4C=C3)(C#N)C#N
|
|
| MCULE-1024781433 |
0.60 |
C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
|
|
| MCULE-7068476910 |
0.60 |
[C@@]123CC[C@]4([C@@](C)(CCC[C@@]4(C)C(O)=O)C1CC[C@@]([C@H](OC(C)=O)C2)(C)C3)[H]
|
|
| MCULE-6381001945 |
0.60 |
C(CCCCCCCCCCC)(OCCCCCCCCCCCCCC)=O
|
|
| MCULE-7191742655 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(CC2(C1)[H])=O
|
|
| MCULE-5010287798 |
0.60 |
CCCCCCCCCCCCCC(=O)OCC(CCCC)CC
|
|
| MCULE-4871356889 |
0.60 |
[C@]12(C)CCC(CC1CC(C1C2CC[C@]2(C1CCC2OC(C)=O)C)=O)OC(C)=O
|
|
| MCULE-8613053282 |
0.60 |
CCCCCCCC(=O)OCCC(C)C
|
|
| MCULE-3192940634 |
0.60 |
[C@@H]1(C)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](OC(CC)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2(CC1=O)[H]
|
|
| MCULE-9128671729 |
0.60 |
CCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
|
|
| MCULE-3743283246 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])=O)=O
|
|
| MCULE-1763743202 |
0.60 |
C(=O)(OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
|
|
| MCULE-1910533357 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(C)([H])OC(C)=O)=O
|
|
| MCULE-1658713625 |
0.60 |
CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
|
|
| MCULE-9447131815 |
0.60 |
C12(CC3CC(CC(C3)C1)C2)C1(C)OC(=O)C1
|
|
| MCULE-7802491876 |
0.60 |
CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C
|
|
| MCULE-9581789180 |
0.60 |
C12(CCCCC1)C(=O)OC(C)(C)C2
|
|
| MCULE-1518145690 |
0.60 |
C(=O)(OCC)CCC(=C)C
|
|
| MCULE-2055025440 |
0.60 |
C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(CC)=O
|
|
| MCULE-2881831605 |
0.60 |
C1(=O)C2C(C3=CC=C4C(C=CC=C4)=C3)C=CC(CC)C2C(=O)O1
|
|
| MCULE-4630773741 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(O)(CCC4C3CCC2(C1)[H])C(C)=O
|
|
| MCULE-1968851832 |
0.60 |
C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)=C1)=O
|
|
| MCULE-2541218317 |
0.60 |
C12(C)CCCC(C)(C)C1CCC(C)(OC(=O)C)C2CC(=O)C
|
|
| MCULE-2485172895 |
0.60 |
C12CC(C(C(OCCC)=O)C1C(=O)OCC(C1C=CC=CC=1)=O)C=C2
|
|
| MCULE-7020466973 |
0.60 |
C12C(=O)CC3(C)C(CCC3C1CC[C@@]1(C)CC(CCC21C)OC(=O)C)=O
|
|
| MCULE-9390870362 |
0.60 |
C12(C)CCC3(C([H])(C(OC(C)=O)CC4([H])CC(CCC34C)OC(C)=O)C1([H])CCC2([H])C(C)CCC(OC)=O)[H]
|
|
| MCULE-8657283989 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(C)(O)[H])=O
|
|
| MCULE-2073701736 |
0.60 |
C12C(OC(=O)C)CC3CC(CCC3(C)C1CC(OC(=O)C)C1(C)C(CCC21)C(C)CCC(=O)O)OC(=O)C
|
|
| MCULE-5985352871 |
0.60 |
OCC1(CC=CC1)CC1CCOCC1
|
|
| MCULE-2480789384 |
0.60 |
C123CCC4(C(C)(CCCC4(C)C(O)=O)C1CCC(C(OC(C)=O)C2)(C)C3)[H]
|
|
| MCULE-4481261571 |
0.60 |
C12(C)CCC3(C(C(C(C)=O)CC3)C1CCC1C2(C)CCC2C1(C)CCC(OC(C)=O)C2(C)C)COC(C)=O
|
|
| MCULE-5170425987 |
0.60 |
[C@]12(C)CC[C@H](C[C@]1([H])CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)OC(CCC(C)C)=O
|
|
| MCULE-7270856780 |
0.60 |
C(CC)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])=O
|
|
| MCULE-3866090573 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2C1)C(C)=O)=O
|
|
| MCULE-4303110242 |
0.60 |
C(C)(=O)OC1C(C)(C)C2CCC3(C)C4(C)CCC5(CCC(C)C(C)C5C4C(CC3C2(C)CC1)=O)C(OC)=O
|
|
| MCULE-6017377745 |
0.60 |
[C@]12(C)CC[C@@H](C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(CCCCC)=O
|
|
| MCULE-1130314529 |
0.60 |
C1CC2(C)C(CC(OC(C)=O)C3C2CC(O)C2(C(C(CCC(=O)OC)C)CCC32)C)CC1OC(=O)C
|
|
| MCULE-4037087067 |
0.60 |
[H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1C(C2)=O)OC(C)=O
|
|
| MCULE-1300466204 |
0.60 |
OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
|
|
| MCULE-1276159909 |
0.60 |
[C@]12(C)CCC(C[C@]1([H])CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCCCCC)=O
|
|
| MCULE-2639127831 |
0.60 |
[C@@]12(C)[C@@H]([C@H](C)CCC(OC)=O)CCC1C1C([C@@]3(C)CC[C@H](C[C@]3(C[C@H]1OC(C)=O)[H])OC(C)=O)C[C@@H]2OC(C)=O
|
|
| MCULE-1729218168 |
0.60 |
O=C(C(C)(C)C)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])=O
|
|
| MCULE-8645033672 |
0.60 |
C1(C)(CCC(C)C1(C)C)C(=O)OC1CC(C)CCC1C(C)C
|
|
| MCULE-3542504418 |
0.60 |
[C@@]12(C)[C@@]([H])(C(C)=O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@@]3(CC1)[H])OC(C)=O)C(=O)C2)[H]
|
|
| MCULE-2735934269 |
0.60 |
OC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-8044512953 |
0.60 |
O=C(C1CCCCC1)OC(=O)C1CCCCC1
|
|
| MCULE-4198145336 |
0.60 |
[C@]12(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1([C@H]3CC[C@@H]1OC(CC)=O)C)CC([C@H](C)C2)=O
|
|
| MCULE-1554552667 |
0.60 |
[C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CC[C@@]1(C)[C@]3([C@@](C)([C@@H](C)OC(=O)CC3)CC[C@@]12[H])[H])CO
|
|
| MCULE-3005523814 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3C(CC2(C1)[H])=O)OC(C)=O
|
|
| MCULE-3303098127 |
0.60 |
[C@]12(C)CC[C@@H](C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(CCC)=O
|
|
| MCULE-6316511737 |
0.60 |
[C@]12(C)CCC(C[C@]1([H])[C@@H](O)C[C@@]1([H])C3[C@@](C)([C@@H](CC3)OC(C)=O)CCC12)=O
|
|
| MCULE-5078134243 |
0.60 |
[C@@]12(C)C(C(C)CCC(O)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](CC3(C[C@H]1OC(C)=O)[H])OC(C)=O)C[C@@H]2OC(C)=O)[H]
|
|
| MCULE-5932174453 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(CC2(C1)[H])=O)OC(C)=O
|
|
| MCULE-5846128365 |
0.60 |
[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C[C@@]2(CC1)[H])=O)[H]
|
|
| MCULE-3924618601 |
0.60 |
C12(CC3CC(C1)C(C(C3)C2)=O)OC(C)=O
|
|
| MCULE-8438074507 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)CC(C1C3CCC(C(C)CCC(OC)=O)C3(C)C(CC21)OC(C)=O)OC(C)=O
|
|
| MCULE-2155577748 |
0.60 |
C12(CC3(C)CC(C(C(C3)(C)C1)C)C2)C1(C)CC(O1)=O
|
|
| MCULE-6307141804 |
0.60 |
[C@@]12(C)CC[C@@]3(C([C@H](C(C)=O)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(C)=O)C2(C)C)COC(C)=O
|
|
| MCULE-8277780600 |
0.60 |
C1(=O)C2CC3CC(CC(C3)C2)O1
|
|
| MCULE-2219165204 |
0.60 |
C(O)(=O)C1CCC(CC1)OC(C)=O
|
|
| MCULE-9565336805 |
0.60 |
[C@@]12(C)[C@@]([H])([C@H](C)OC(C)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])OC(C)=O)C(=O)C2)[H]
|
|
| MCULE-8124522954 |
0.60 |
C12(C)C(C(C)CCC(OCC)=O)CCC1C1C(C3(C)CCC(CC3CC1OC(C)=O)OC(C)=O)CC2O
|
|
| MCULE-6093481655 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])C(CO)=O
|
|
| MCULE-3267310825 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CC(O)C4(C)C(CCC4C3CCC2(C1)[H])C(C)=O
|
|
| MCULE-1285882043 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-3619299828 |
0.60 |
O=C1CCC2(C)C3C(C4CCC(C(C)CCC(OC)=O)C4(C)C(C3)=O)C(CC2C1)OC(C)=O
|
|
| MCULE-4486017707 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3C(CC2(C1)[H])=O
|
|
| MCULE-2818578072 |
0.60 |
O(C1CC2CC(O)CCC2(C)C2C1C1C(C)(C(O)C2)C(C(C)CCC(OC)=O)CC1)C(C)=O
|
|
| MCULE-1541540687 |
0.60 |
[C@]12(C)C[C@@H](OC(C)=O)C3[C@@]([H])(CCC4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@@H]2C(C)=O
|
|
| MCULE-2896315370 |
0.60 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1([H])CC2C(C)(C)C1(C)CC2
|
|
| MCULE-4134342158 |
0.60 |
[C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
|
|
| MCULE-3459873573 |
0.60 |
C=C(CCCCCC(=O)OCC)Br
|
|
| MCULE-2867849826 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)(C)C
|
|
| MCULE-1479199763 |
0.60 |
C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
|
|
| MCULE-8027181171 |
0.60 |
C(N)(OCCCCCCCCC=CCCCCCCCC)=O
|
|
| MCULE-4287197501 |
0.60 |
C=C(Br)CCCCCCC(=O)OCC
|
|
| MCULE-1605621815 |
0.60 |
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
|
|
| MCULE-5430302793 |
0.60 |
C1(C)(CCC(=CBr)C1(C)C)C(OC)=O
|
|
| MCULE-8869963478 |
0.60 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-6821384626 |
0.60 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
|
|
| MCULE-6520929159 |
0.60 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-9153451586 |
0.60 |
CC=CCC1(C=O)C(C)(C)OCC1
|
|
| MCULE-3756920480 |
0.60 |
C/C(/C)=C/CC1(C=O)C(C)(C)OCC1
|
|
| MCULE-1874567277 |
0.60 |
[C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-4508036866 |
0.60 |
[C@]12(C)C[C@H]3OC(C(=C)[C@H]3C[C@]1([C@]2([H])CCC(C)=O)[H])=O
|
|
| MCULE-7284631582 |
0.60 |
O=C1C(=C)[C@@]2([H])C[C@@]3([C@@](C[C@@]2([H])O1)(C)[C@H]3CCC(=O)C)[H]
|
|
| MCULE-9073699986 |
0.60 |
[C@]12([H])[C@](CO)(C)C=C(CO)[C@]1(C)[C@@]1([H])CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC2
|
|
| MCULE-6193394453 |
0.60 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(COC(=O)C)C1
|
|
| MCULE-6570626188 |
0.60 |
C1(C(O[C@]2([H])C[C@]3([C@@]([H])(C[C@@]21[H])[C@]3([H])CCC(O)C)C)=O)=C
|
|
| MCULE-5246840558 |
0.60 |
[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-6377062249 |
0.60 |
OC(C=CC(C1C2OC(CC2)C1)=O)=O
|
|
| MCULE-1502775418 |
0.60 |
C12=CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-9250986602 |
0.60 |
[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]
|
|
| MCULE-1160223618 |
0.60 |
C12(C)CCC3C(CC=C4CC5(OCCO5)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-8615958761 |
0.60 |
C1C[C@]2(C)C3C(=O)C[C@]4(C)[C@@H]([C@@H](CCC(=O)OC)C)C[C@H](O)[C@@]4(C)C=3[C@@H](O)C[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-4810843401 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-6440147345 |
0.60 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-2648258938 |
0.60 |
CC(C(OC(C)C)=O)([C@@H](/C=C/[C@H]([C@@H]1[C@]2(C)[C@H](/C(=C/C=C3\C(=C)[C@@H](O)C[C@H](O)C\3)/CCC2)CC1)C)O)C
|
|
| MCULE-2818134757 |
0.60 |
CC([C@@H]1C[C@H](C(=C[C@H]1CNC(=O)C(C)(C)C)C)CC(=O)OCC)C
|
|
| MCULE-5883474591 |
0.60 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]4[C@@H](C3)OC(C)(C)O4)C1CC[C@]1(C)C(CC[C@@]21O)[C@]1(C)C(CCC(C)(C)OC(C)=O)OC(C)(C)O1)[H]
|
|
| MCULE-4251451769 |
0.60 |
C1C(OC(C)=O)C2(C)C(C=O)=C(C)CCC2OC1C(O)(C)C
|
|
| MCULE-4236608409 |
0.60 |
C(O[C@]12C(C)(C)[C@@]1([H])[C@@]1([H])C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C1)[C@H](C)C2)(=O)CCCCCCCCCCC
|
|
| MCULE-1709406598 |
0.60 |
C(C1C=CC=CC=1)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])C(C)([H])OC(C1C=CC=CC=1)=O)=O
|
|
| MCULE-8026798132 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O
|
|
| MCULE-8850033734 |
0.60 |
CC(OCC1(C2C=CC(C2)C1)O)C
|
|
| MCULE-4207394958 |
0.60 |
C1(C(C)=CC2C(C1(C)C(CCO)=O)C(C(=O)O)CC(C)(O)C2)/C(=C/CO)/C
|
|
| MCULE-6196184522 |
0.60 |
CCOCC1(C2C=CC(C2)C1)O
|
|
| MCULE-7829183730 |
0.60 |
O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-4348399671 |
0.60 |
OC([C@@H]([C@@H](C(OC(C)(C)C)=O)CC=C)CCC(F)(F)F)=O
|
|
| 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-7510220469 |
0.60 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
|
|
| MCULE-9526433855 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-6421717076 |
0.60 |
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-3056065011 |
0.60 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CC)=O)C1CC1OC(CCC(C)COC(CC)=O)=C(C)C21
|
|
| MCULE-9858855246 |
0.60 |
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-5385404753 |
0.60 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-2021957290 |
0.60 |
C(C)CCCCCCCCCCC(O)/C=C/CCC(=O)O
|
|
| MCULE-2615091969 |
0.60 |
O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-2337967762 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(C)OC(C)=O
|
|
| MCULE-9672606479 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
|
|
| MCULE-7491068561 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
|
|
| MCULE-7718450791 |
0.60 |
CC(=O)OC(C=C)CCCCC
|
|
| MCULE-4269813571 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-5828648964 |
0.60 |
C(C)(=O)OC(CCCCCCCC)C=C
|
|
| MCULE-1729412984 |
0.60 |
C(C1CCC=C1)(C(O)=O)C(O)=O
|
|
| MCULE-3871864328 |
0.60 |
O1C(C)(C)C2CC=C(C)C(C2)C1C(C)C
|
|
| MCULE-6024570055 |
0.60 |
CC1(C(=O)C(CC2CC=CC2)CO1)C
|
|
| MCULE-5981693854 |
0.60 |
O1C(C)C2C(C)=CCC(C2)C1(C)C
|
|
| MCULE-6089018925 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
|
|
| MCULE-2704621203 |
0.60 |
O=C(C12COCC1C2)CC1CCCC=1
|
|
| MCULE-2538866374 |
0.60 |
C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
|
|
| MCULE-7929696567 |
0.60 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
|
|
| MCULE-2847349308 |
0.60 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
|
|
| MCULE-5750073439 |
0.60 |
C1(C)CCC(C2(C)OC(CC2)(C(C)C)CC2OC2(C)CCC=1)OC(C)=O
|
|
| MCULE-4498603332 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
|
|
| MCULE-6876610304 |
0.60 |
C12CC1C1C(C(=O)OCC(C3=CC=CC=C3)=O)C(C(OCCC)=O)C2C=C1
|
|
| MCULE-4006235073 |
0.60 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-3923406462 |
0.60 |
C(=O)(OC(C)(C)C#C)C1C(C(=O)OCC(Cl)=C)C2CC1C=C2
|
|
| MCULE-3307937929 |
0.60 |
C12CC1C1C(C(=O)OCC(C3C=CC=CC=3)=O)C(C(=O)OC(C)CC)C2C=C1
|
|
| MCULE-3320650867 |
0.60 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-9287937155 |
0.60 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)OC)(C)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1
|
|
| MCULE-3629918410 |
0.60 |
O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
|
|
| MCULE-8090417293 |
0.60 |
O=C([C@@]1(C[C@@H]2[C@@](C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)(CC[C@]3([C@@]4(CC[C@@H]5[C@@](C)([C@H]4CC=C32)C[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CO2)[C@]5(CO)C)C)C)CC1)C)OC
|
|
| MCULE-7244926496 |
0.60 |
CCC(C1(C(O)=O)CC=CCC1)C#N
|
|
| MCULE-8080610827 |
0.60 |
[H]C12CCCCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
|
|
| MCULE-5878030381 |
0.60 |
C12CC(COC1C(C)C)C(C=C2C)C
|
|
| MCULE-6728895797 |
0.60 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-2842180948 |
0.60 |
C12CC1C1C(C(=O)OCC(C3=CC=CC=C3)=O)C(C(OCC)=O)C2C=C1
|
|
| MCULE-1184165301 |
0.60 |
C12CC(CC=C1C)COC2C1CCC(=CC1)C
|
|
| MCULE-2200029918 |
0.60 |
OC(C(C1C=CCCCCC1)C#N)=O
|
|
| MCULE-1547137893 |
0.60 |
C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
|
|
