SANC00363 Ent-3β-hydroxy-beyer-15-ene-2-one



Download SMILES        
Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-5225374056 0.89 CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-2546809155 0.89 CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-6262778979 0.89 OC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-2611969931 0.89 [C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-2467601128 0.89 C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MolPort-044-831-841 0.89 OC(=O)CC1CCC=CCC1
MolPort-038-948-469 0.89 CCC=CC1CCC(CC1)C(O)=O
MolPort-038-948-537 0.89 CCCCC=C1CCC(CC(O)=O)CC1
MolPort-020-005-730 0.86 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-046-589-760 0.86 CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
MolPort-039-338-287 0.86 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
MCULE-2170508823 0.86 C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-4778256781 0.86 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-1670830332 0.86 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-6438933973 0.86 CC(C(CC1CC=CCC1)=O)(O)C
MCULE-6413909495 0.86 CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-9038165616 0.86 CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-6641232569 0.86 CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-3046418352 0.86 CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-1046270451 0.86 OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-8191255112 0.86 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-8798348917 0.86 C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-7702176615 0.86 CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-9914820446 0.86 C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-9085462824 0.86 OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-7592205580 0.86 C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-8054022250 0.86 C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-9547538729 0.86 CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-3248745724 0.86 C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-7761893081 0.86 C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-5077473579 0.86 C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-6044533117 0.86 OC(CCCCCCC/C=C\CCCCCCCC)=O
MolPort-003-933-468 0.86 CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-849-687 0.86 CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-035-882-134 0.86 CCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-959-025 0.86 CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-006-112-294 0.86 CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-028-747-855 0.86 CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-039-010-546 0.86 OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-001-780-043 0.86 CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-003-959-881 0.86 CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-003-959-363 0.86 CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-001-788-274 0.86 CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-021-804-454 0.86 CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-023-332-220 0.86 OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-006-169-615 0.86 CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-009-019-440 0.86 CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-009-019-234 0.86 CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-046-426-229 0.86 CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-046-426-181 0.86 CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-003-933-186 0.86 CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-003-939-503 0.86 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-044-727-744 0.86 CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-044-727-743 0.86 CCCC\C=C\CCCCCCCCC(O)=O
MolPort-046-763-123 0.86 CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-000-882-023 0.86 CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-003-941-268 0.86 CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-001-739-604 0.86 CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-028-747-803 0.86 CCCCCCC=CCCCCCCCC(O)=O
MolPort-001-740-137 0.86 CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-003-941-733 0.86 CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-009-019-050 0.86 CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-003-958-711 0.86 CCCC\C=C/CCCCCCCC(O)=O
MolPort-003-925-831 0.86 CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-003-958-761 0.86 CCCC\C=C\CCCCCCCC(O)=O
MCULE-5683974067 0.85 C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
MolPort-039-338-313 0.85 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(CO)=C3)C(O)=O
MolPort-001-741-051 0.85 C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O
MolPort-002-509-435 0.84 CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-866 0.84 CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-007-980-847 0.84 CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
MolPort-002-525-755 0.84 CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MCULE-3655330509 0.84 OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-9024921933 0.84 OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-1190191150 0.84 OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-2735934269 0.84 OC1(C(CC2CC=CCC2)=O)CCCC1
MolPort-039-338-445 0.84 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-035-706-317 0.84 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-006-111-035 0.83 [K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-111-036 0.83 [Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-116-655 0.83 [Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-028-962-365 0.83 CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-006-118-208 0.83 [Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-044-723-428 0.83 [Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
MCULE-1068095495 0.83 OC1(CCC(=O)CC1)CC1CC=CC1
MCULE-3222494622 0.83 C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-8838919541 0.83 OC1(C(CC2CC=CC2)=O)CCCC1
MCULE-4188975486 0.83 O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MCULE-2893862044 0.83 [Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-9153738942 0.83 C(CCCCC=CC(C)C)(O)=O
MCULE-3459478440 0.83 CC(C(CC1CC=CC1)=O)(O)C
MolPort-001-764-454 0.83 CC(C)\C=C\CCCCC(O)=O
MolPort-003-698-717 0.83 CC(C)\C=C/CCCCC(O)=O
MolPort-001-972-569 0.83 OC(=O)C1C2C1C1CC2C=C1
MolPort-021-804-631 0.82 CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MCULE-5549502379 0.82 C12C3CC(C=C3)C1C2C(O)=O
MCULE-8056155072 0.82 C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-9341616847 0.82 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-7147126046 0.82 C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-5384515579 0.82 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-5025931577 0.82 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-5327458615 0.82 CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-8629297693 0.82 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-5113003290 0.82 OC(C1CC2CC(CC=C2)C1)=O
MCULE-4504483614 0.82 C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-1283574747 0.82 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-3664047551 0.82 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
MolPort-035-706-537 0.82 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
MolPort-016-633-333 0.82 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-039-338-325 0.82 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-035-706-538 0.82 CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-338-737 0.82 CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-038-941-702 0.82 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-046-594-431 0.82 CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-006-069-379 0.82 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
MolPort-038-386-525 0.82 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-028-754-126 0.82 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-038-386-024 0.82 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-046-141-505 0.82 OC(=O)C1CC2CC=CC(C2)C1
MolPort-006-069-138 0.82 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
MolPort-016-633-342 0.82 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-003-663-637 0.81 OC(=O)C1CCC\C=C/CC1
MCULE-1202438669 0.81 C1C=CCCC(C(O)=O)CC1
MCULE-6441405293 0.81 OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-4002345426 0.81 C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-7417377682 0.81 OC(C1(CC1)CC1CC=CCC1)=O
MCULE-5859140606 0.81 CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-7270634760 0.81 OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-1528374574 0.81 OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-6935719222 0.81 OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-3005532858 0.81 OC(C1(CCC1)CC1CC=CC1)=O
MCULE-3553508294 0.81 OC(C1C(CC2CC=CC2)CC1)=O
MCULE-4596209637 0.81 CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-6884173238 0.81 CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-2896292130 0.81 OC(C1(CC1)CC1CC=CC1)=O
MCULE-9071849084 0.80 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
MCULE-5685325143 0.80 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-9000633244 0.80 OC(C=O)CC1CC=CC1
MCULE-7400696054 0.80 C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
MCULE-6301076627 0.80 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-5865455343 0.80 CC(C=O)(CC1CC=CC1)O
MCULE-8155210029 0.80 C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
MolPort-000-726-918 0.80 C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
MolPort-000-831-717 0.80 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-506-984 0.80 C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-044-649-711 0.80 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-046-765-461 0.80 C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
MolPort-003-848-014 0.80 [2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-521-548 0.80 C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-046-765-469 0.80 C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
MolPort-004-956-486 0.80 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-510-419 0.80 C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-116-843 0.80 CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
MolPort-006-069-150 0.80 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-873-328 0.79 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-046-153-807 0.79 C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-046-153-799 0.79 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-029-215-812 0.79 OC(=O)CC1CC2CC1C=C2
MolPort-044-723-335 0.79 CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
MolPort-001-742-404 0.79 C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-044-637-461 0.79 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-044-637-536 0.79 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-035-706-428 0.79 C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-039-338-736 0.79 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-044-637-537 0.79 CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MolPort-039-339-207 0.79 CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-044-727-594 0.79 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-016-630-900 0.79 OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-008-427-020 0.79 CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
MolPort-006-668-475 0.79 CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-001-742-411 0.79 C[C@@]12C[C@]3(CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2
MCULE-3305395898 0.79 C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
MCULE-8928261768 0.79 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-6190365385 0.79 C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-4428892848 0.79 C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-4320729921 0.79 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-2911613762 0.79 [C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-9840181952 0.79 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-5541619791 0.79 [C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-1285320299 0.79 [C@@]12(C)CCC[C@@](C)(CO)C1CC[C@@]13C[C@](C=C1)(C)CCC32
MCULE-6401226702 0.79 CC=CC(C1(CCCCC1)O)=O
MCULE-9036760572 0.79 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
MCULE-9156595873 0.79 C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
MCULE-8991093142 0.79 OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
MolPort-003-939-239 0.79 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O
MolPort-044-727-745 0.79 CCCCCC[C@@H](O)C\C=C\CCCCCCCC(O)=O
MolPort-006-168-732 0.79 CCCCCCC(O)C\C=C\CCCCCCCC(O)=O
MolPort-002-134-879 0.79 OC(=O)C1C2CC\C=C\CC\C=C/CCC12
MolPort-046-765-905 0.79 OC(=O)CCCCCCC\C=C/CC=O
MolPort-035-683-013 0.79 OC(=O)C1C2CC\C=C/CC\C=C/CCC12
MolPort-046-153-713 0.78 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-035-918-587 0.78 OC(=O)C1CCC=CCC1
MolPort-046-788-533 0.78 CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-596-275 0.78 C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-005-934-866 0.78 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-027-835-865 0.78 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-019-940-199 0.78 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-019-857-808 0.78 CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-008-155-613 0.78 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-046-690-133 0.78 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-006-394-855 0.78 [2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-005-938-470 0.78 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-526-228 0.78 C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-046-793-264 0.78 CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-002-525-852 0.78 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-002-507-146 0.78 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-530-358 0.78 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-000-738-106 0.78 CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-510-661 0.78 CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-000-739-076 0.78 C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
MolPort-046-764-826 0.78 [2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
MCULE-4728366427 0.78 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
MCULE-3688392585 0.78 O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-8005965492 0.78 [C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-5054990207 0.78 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
MCULE-8197236760 0.78 CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
MCULE-6552675485 0.78 C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
MCULE-1308336736 0.78 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-4006235073 0.78 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
MCULE-7708235386 0.78 OC(C1(CC=CC1)CC1CC=CCC1)=O
MCULE-6367656540 0.78 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-7829183730 0.78 O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-7929696567 0.78 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-9672606479 0.78 [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-3629918410 0.78 O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
MCULE-6728895797 0.78 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
MCULE-6089018925 0.78 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-3143886740 0.78 C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-5064546197 0.78 [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-7088367969 0.78 [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-5967042891 0.78 [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-4269813571 0.78 [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-2538866374 0.78 C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
MCULE-5111117747 0.78 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-1547137893 0.78 C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
MCULE-8045386580 0.78 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-2615091969 0.78 O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-9526433855 0.78 [C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-6217200752 0.78 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-4690400847 0.78 C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
MCULE-9335086572 0.78 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-7491068561 0.78 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-2847349308 0.78 [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-7510220469 0.78 C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-6888052424 0.78 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-9474095410 0.78 [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-2451101251 0.78 C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-5277306782 0.78 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-7677256646 0.78 OC(C1(CC=CC1)CC1CCCC=1)=O
MCULE-6767000432 0.78 C1CCC(C(O)=O)CCC=1
MCULE-9852233406 0.78 OC(C(CC1CC=CC1)=O)=O
MCULE-1248316974 0.78 C/C(/C)=C/CCC1(CCC(=O)CC1)O
MCULE-1412596642 0.78 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
MCULE-4839802180 0.78 [C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
MCULE-3390693428 0.78 C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
MCULE-8934502311 0.78 C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
MCULE-2147959975 0.78 C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
MCULE-9949303370 0.78 C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-6305022030 0.78 C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
MCULE-3135517908 0.78 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
MCULE-1251158415 0.78 [C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
MolPort-039-338-968 0.77 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-046-765-250 0.77 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
MolPort-027-835-590 0.77 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-027-834-998 0.77 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-001-740-468 0.77 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
MolPort-042-675-343 0.77 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-002-514-284 0.77 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
MolPort-020-005-912 0.77 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-507-280 0.77 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-046-596-264 0.77 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-001-736-568 0.77 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-003-939-637 0.77 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-003-929-763 0.77 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-891-893 0.77 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
MolPort-003-666-312 0.77 CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-761-810 0.77 [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
MolPort-003-983-927 0.77 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-004-955-261 0.77 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-911-249 0.77 CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-000-720-642 0.77 CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-691-997 0.77 [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
MolPort-000-729-105 0.77 CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-046-762-480 0.77 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-909-640 0.77 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
MolPort-046-589-954 0.77 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-534-996 0.77 C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-002-158-261 0.77 CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-002-527-265 0.77 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-001-740-060 0.77 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-002-524-169 0.77 C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-044-193-919 0.77 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
MolPort-002-522-274 0.77 CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-764-596 0.77 CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-704 0.77 CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-009-198-793 0.77 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-525-147 0.77 C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
MolPort-039-338-320 0.77 C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-002-525-209 0.77 C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-525-706 0.77 CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-008-430-076 0.77 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
MolPort-035-706-406 0.77 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-002-506-906 0.77 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-007-980-916 0.77 CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-035-784-288 0.77 O.CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-507-433 0.77 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-741-050 0.77 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-035-706-531 0.77 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-001-740-955 0.77 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
MolPort-046-596-590 0.77 CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-046-597-698 0.77 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-001-740-913 0.77 C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-039-338-864 0.77 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-002-507-455 0.77 C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-419-080 0.77 C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-792-025 0.77 CC(CCC=C(C)C)CC(O)=O
MolPort-003-930-561 0.77 C[C@H](CCC=C(C)C)CC(O)=O
MCULE-1438242882 0.77 C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MCULE-3455137708 0.77 C(O)(CC(C)CC/C=C(/C)\C)=O
MCULE-4653646367 0.77 C(CCCCCCCC=CCC=CCCCCC)(O)=O
MCULE-9082869288 0.77 CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
MCULE-1144217583 0.77 C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-4851646103 0.77 CC1CCC(C2(C(O)=O)CC=CC2)CC1
MCULE-5702475533 0.77 C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
MCULE-8500547238 0.77 CC1CC(C2(C(O)=O)CC=CC2)CCC1
MCULE-5267198059 0.77 OC(C1(CC=CC1)CC1CCCCC1)=O
MCULE-6594867113 0.77 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-1893075589 0.77 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-8042162865 0.77 C(CCCCCCCC=CCC=CCC=CCC)(O)=O
MCULE-9405390567 0.77 C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
MCULE-9671518710 0.77 C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
MCULE-4209942909 0.77 C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
MCULE-4929710192 0.77 C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
MCULE-3560182453 0.77 C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
MCULE-4050021987 0.77 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
MolPort-044-724-154 0.77 CCCCCC=CCC=CCCCCCCCC(O)=O
MolPort-009-018-939 0.77 [2H]C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-035-882-164 0.77 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-940-987 0.77 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-003-941-054 0.77 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-003-941-261 0.77 CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
MolPort-001-740-230 0.77 CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-933-184 0.77 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
MolPort-001-780-227 0.77 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O
MolPort-006-126-388 0.77 CC(C)(O)CCCC1=CCC(CC1)C=O
MolPort-027-641-365 0.77 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
MolPort-046-683-522 0.77 CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
MolPort-044-727-764 0.77 CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
MolPort-001-788-459 0.77 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-006-113-817 0.77 CCC=CCC=CCC=CCCCCCCCC(O)=O
MolPort-003-937-817 0.77 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-002-509-760 0.77 C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
MolPort-035-705-871 0.77 C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
MolPort-046-764-556 0.76 C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC=C2
MolPort-006-709-371 0.76 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MolPort-003-940-301 0.76 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-035-706-366 0.76 CC(C)C1=C2CC[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@@]2(C)CC1
MolPort-046-766-184 0.76 C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC(O)CC[C@]34C)[C@H]1CC=C2
MolPort-046-153-098 0.76 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
MolPort-022-366-503 0.76 OC(=O)CC1CCC=CC1
MolPort-044-754-112 0.76 C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-046-508-765 0.76 OC(=O)C[C@H]1CCC=CC1
MolPort-002-507-128 0.76 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-039-061-801 0.76 C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MolPort-001-740-301 0.76 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(O)(CO)C3)C(O)=O
MolPort-039-338-638 0.76 C[C@H](C[C@H](O)[C@@H](O)C(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-001-740-226 0.76 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
MolPort-002-709-805 0.76 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-046-790-494 0.76 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
MCULE-6811826956 0.76 C12(C)CCC(=O)CC1CCC1C3C(CCC21)=C(C)CC3
MCULE-4980717954 0.76 C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-1183560917 0.76 C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
MCULE-1755461261 0.76 [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-2400907851 0.76 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-8877595522 0.76 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-5074709635 0.76 C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
MCULE-8651982947 0.76 C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2411412323 0.76 C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
MCULE-9765892541 0.76 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-1153477483 0.76 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-8828485995 0.76 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-7184031760 0.76 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-8259872102 0.76 C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2313378449 0.76 C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2299251979 0.76 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-3946245376 0.76 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
MCULE-3800481886 0.76 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-5390747778 0.76 [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-6557448423 0.76 C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
MCULE-2605863241 0.76 C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-7633761938 0.76 C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-1065645853 0.76 [C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
MCULE-3841271177 0.76 C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-1067283755 0.76 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-2671029853 0.76 [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-9917637884 0.76 [C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
MCULE-3614931522 0.76 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-1294118086 0.76 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
MCULE-5274452426 0.76 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-9131674305 0.76 O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
MCULE-1990275167 0.76 C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-4275950574 0.76 [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-3141539281 0.76 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-9209606443 0.76 C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-1602610126 0.76 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-4464327459 0.76 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-3333652397 0.76 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-1591105974 0.76 C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-7998597001 0.76 C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
MCULE-9211922250 0.76 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-4819154807 0.76 C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-1455068472 0.76 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MCULE-5059257985 0.76 [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-1657159254 0.76 [C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-2675118265 0.76 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-5773428311 0.76 C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-4241274271 0.76 C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-6409888378 0.76 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-8721567365 0.76 [C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
MCULE-2653535248 0.76 C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-2960890696 0.76 C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
MCULE-3945869814 0.76 C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
MCULE-1660040884 0.76 C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
MCULE-5063748511 0.76 C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-1780641937 0.76 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]
MolPort-003-933-080 0.76 CCCCCC\C=C/CCCC(O)=O
MolPort-009-019-328 0.76 CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
MolPort-044-650-172 0.76 CCCCCCCCCCCCCC\C=C\CCCC(O)=O
MolPort-039-338-353 0.76 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-000-146-103 0.76 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-755-246 0.76 CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-302 0.76 C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-001-740-351 0.76 CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-742-412 0.76 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-039-338-398 0.76 C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-001-742-304 0.76 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-044-183-134 0.76 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-001-740-467 0.76 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-042-675-461 0.76 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-001-741-118 0.76 C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-740-352 0.76 C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-002-509-462 0.76 C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-001-785-925 0.76 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
MolPort-019-937-078 0.76 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-002-526-059 0.76 C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-002-526-688 0.76 C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
MolPort-006-394-338 0.76 C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-526-836 0.76 C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-002-527-294 0.76 CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-006-111-348 0.76 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-006-111-052 0.76 C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-800-539 0.76 CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
MolPort-002-911-071 0.76 C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
MolPort-006-069-421 0.76 C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-911-080 0.76 C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-002-911-141 0.76 CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-005-944-959 0.76 CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
MolPort-005-944-708 0.76 C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MolPort-002-911-148 0.76 CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
MolPort-005-937-958 0.76 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-911-151 0.76 C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
MolPort-004-285-983 0.76 CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-003-849-312 0.76 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-002-524-878 0.76 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-019-937-217 0.76 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-001-785-932 0.76 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-019-997-276 0.76 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MolPort-038-386-656 0.76 CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-002-176-718 0.76 CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-506-868 0.76 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-002-506-869 0.76 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
MolPort-035-785-285 0.76 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-450 0.76 C[C@H]1[C@H](CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-035-706-389 0.76 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-388 0.76 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-035-706-386 0.76 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-507-282 0.76 CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-269 0.76 C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
MolPort-002-507-387 0.76 C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-030-042-288 0.76 CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
MolPort-002-510-407 0.76 C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-028-599-905 0.76 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-021-804-810 0.76 CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-002-512-678 0.76 C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-020-005-953 0.76 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-002-520-919 0.76 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
MolPort-046-793-369 0.76 [2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-021-783-255 0.76 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-046-596-387 0.76 CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-692-950 0.76 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-046-764-565 0.76 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-046-690-504 0.76 C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-765-861 0.76 [2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-046-762-885 0.76 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-046-596-410 0.76 C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-417-742 0.76 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
MolPort-046-693-069 0.76 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-046-693-157 0.76 CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
MolPort-046-691-031 0.76 [2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
MolPort-046-764-442 0.76 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-046-596-401 0.76 C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-046-596-232 0.76 CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-765-340 0.76 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-765-305 0.76 CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MolPort-046-596-363 0.76 C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-793-201 0.76 C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-596-323 0.76 CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MCULE-3562867778 0.75 C1(CC2CC(C=C2)C1)=O
MCULE-1720910553 0.75 [O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
MCULE-2620645862 0.75 [O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
MCULE-4777198621 0.75 CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-7369936803 0.75 [C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
MolPort-046-691-457 0.75 CC\C=C\CC1C(CC(O)=O)CCC1=O
MolPort-006-112-444 0.75 [Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-044-727-658 0.75 [Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-044-727-656 0.75 [Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
MolPort-046-682-132 0.75 [Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
MolPort-003-941-834 0.75 CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
MolPort-003-892-478 0.74 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
MolPort-002-506-874 0.74 CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-116-770 0.74 CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-019-994-032 0.74 C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-765-329 0.74 C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
MolPort-002-527-205 0.74 CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-019-937-489 0.74 CC12CCCC(C)(C)C1CC=C2C(O)=O
MolPort-003-892-389 0.74 CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-526-574 0.74 CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-273 0.74 CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-009-018-856 0.74 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-003-937-818 0.74 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-001-787-763 0.74 OC(=O)CC1CCC=C1
MolPort-044-561-075 0.74 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-042-675-273 0.74 CC(C\C=C\CC(C)C(O)CC(O)=O)C(O)CC(O)=O
MolPort-035-706-341 0.74 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MCULE-2665091779 0.74 C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-2582951504 0.74 C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
MCULE-3556525470 0.74 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
MCULE-8925145429 0.74 O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
MCULE-9656399480 0.74 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
MCULE-3541967763 0.74 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MCULE-1300466204 0.74 OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
MCULE-5453524094 0.74 OC(C1CC(CC2CC=CC2)(O)C1)=O
MCULE-8989542766 0.74 C12C3C(C4(C)C(CC3)CC(=O)CC4)CCC=1C(CC2)(C)C
MCULE-2374686913 0.74 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-4949013565 0.74 C(C1(C2=CCCCC2)CCCCC1)(O)=O
MCULE-9549608104 0.74 C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MCULE-3741444667 0.74 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-1387376761 0.74 C12CCC(O)C1(C)CCC1=CC(=O)CCC21
MCULE-2582517969 0.74 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-6199732071 0.74 C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-1566569432 0.74 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
MCULE-1785744667 0.74 C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
MCULE-9853941800 0.74 CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-8879177648 0.74 OC(C1(CC=CCC1)CC1CC=CC1)=O
MCULE-3959902732 0.74 OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-8509022096 0.74 [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-4841780318 0.74 C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
MCULE-8997971805 0.74 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MCULE-9848650209 0.74 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-4023009546 0.74 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-5624348400 0.74 C1(C(=O)O)CC2C=CC1CC2
MCULE-4676598997 0.74 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-7916341231 0.74 [C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
MolPort-039-242-365 0.74 OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-039-338-094 0.74 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-035-706-307 0.74 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@](C)(CC(O)=O)[C@@H](CC3)C(C)(C)C=O
MolPort-028-754-125 0.74 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
MolPort-023-274-284 0.74 CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
MolPort-007-980-884 0.74 CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-507-130 0.74 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-006-111-539 0.74 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-027-641-344 0.74 CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
MolPort-008-322-980 0.74 CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
MolPort-003-666-072 0.74 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-001-837-773 0.74 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
MolPort-035-681-549 0.74 C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-326 0.74 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-001-742-604 0.74 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-005-932-301 0.74 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-023-219-645 0.74 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
MolPort-002-524-552 0.74 CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-006-112-162 0.74 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-002-893-729 0.74 OC(=O)C1CC2CCC1C=C2
MolPort-006-394-496 0.74 OC(CCCCCC\C=C/CCCCCCC#C)C(O)=O
MolPort-001-785-920 0.74 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
MolPort-046-153-751 0.74 CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-052-607 0.74 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-006-129-942 0.74 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-046-158-502 0.74 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
MolPort-044-183-250 0.74 C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-742-443 0.74 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
MolPort-039-052-646 0.74 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-035-706-502 0.74 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-046-690-137 0.74 CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-772-330 0.74 CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-046-594-086 0.74 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-035-706-198 0.74 CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-046-594-326 0.74 CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-039-062-015 0.74 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-027-835-537 0.74 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-507-411 0.74 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
MolPort-039-138-901 0.74 C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-358 0.74 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-023-220-126 0.74 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-019-937-248 0.74 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-035-706-224 0.74 CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-023-220-689 0.74 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-005-945-648 0.74 CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-006-133-148 0.74 CC(O)C(C)CCC1CC=C(C)C1(C)C
MolPort-035-706-318 0.74 CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-046-153-143 0.73 CC(C)[C@H]1CC[C@]2(C)C([C@H]1C(C=O)=C2C)C(O)=O
MolPort-021-804-637 0.73 CC1CC=C2C1CC1(O)C(=O)CC2(C)C1(C)CO
MolPort-001-741-355 0.73 OC(=O)CCCCCCC\C=C/CC(O)=O
MolPort-003-916-055 0.73 CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
MolPort-003-927-108 0.73 CCCCCC\C=C/CCCCCCCCCC(=O)OC
MolPort-003-933-240 0.73 CCCCCCCC\C=C\CCCCCCCC(=O)OC
MolPort-003-927-107 0.73 CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
MolPort-039-138-853 0.73 CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
MolPort-003-849-688 0.73 CCCCCCCCC=CCCCCCCCC(=O)OC
MolPort-009-019-018 0.73 CCCCCCCC\C=C/CCCCCC(=O)OC
MolPort-003-941-737 0.73 CCCCCC\C=C/CCCCCCCCC(=O)OC
MolPort-003-959-122 0.73 CCCCC\C=C/CCCCCCCCCCC(=O)OC
MolPort-003-959-376 0.73 CCCCCCCCCCC\C=C/CCCCC(=O)OC
MolPort-003-938-957 0.73 CCCCCC\C=C/CCCCCCCC(=O)OC
MolPort-003-959-894 0.73 CCCCCC\C=C\CCCCCCCCCC(=O)OC
MolPort-003-938-950 0.73 CCCCCC\C=C\CCCCCCCC(=O)OC
MolPort-001-740-140 0.73 CCCCCCCC\C=C/CCCCCCCC(=O)OC
MolPort-003-938-663 0.73 CCCC\C=C/CCCCCCCC(=O)OC
MCULE-7375016319 0.73 [C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
MCULE-3304274375 0.73 C12=CCC(C)C1CC1(O)C(C)(CO)C2(C)CC1=O
MCULE-3684696083 0.73 CCCCCC/C=C/CCCCCCCC(OC)=O
MCULE-2350131012 0.73 C(CCCCCCCCC=CCCCCCC)(OC)=O
MCULE-6534469638 0.73 C(CCCCC=CCCCC)CCC(=O)OC
MCULE-8493572612 0.73 C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
MCULE-8140747078 0.73 C(CCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-4995415924 0.73 C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
MCULE-5533097898 0.73 C(CCCC(=O)OC)CCCC=CCCCCCC
MCULE-6541953240 0.73 C1CCC(C(C)(C(O)=O)C)=CCCC1
MCULE-9571611941 0.73 OC(C1(CC=CC1)CC1CC2C(C2)C1)=O
MCULE-7880412465 0.73 C(O)(C(C1CCCC=1)CCC)=O
MCULE-1939531919 0.73 CC1CC(C(O)=O)(C2C=CCCC2)C1
MCULE-1052417281 0.73 C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-5532688938 0.73 C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
MCULE-8327830017 0.73 C1CC2(C)C3CCC4=C(C(CC(O)C(O)C(O)(C)C)C)C(O)CC4(C)C3(C)CCC2C(C)(C)C1=O
MCULE-6520929159 0.73 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-1874567277 0.73 [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-8869963478 0.73 C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
MolPort-039-009-099 0.73 CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-512-114 0.73 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-044-755-202 0.73 C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-892-472 0.73 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-046-689-150 0.73 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-005-943-420 0.73 CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-028-610-215 0.73 CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O
MolPort-035-706-309 0.73 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
MolPort-005-945-090 0.73 C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\CO
MolPort-039-052-462 0.73 C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO
MolPort-001-742-271 0.73 C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
MolPort-046-762-101 0.73 [Fe++].C1CC=C[CH-]1.OC(=O)CC1C[CH-]C=C1
MolPort-022-366-437 0.73 OC(=O)CC1CCCC=C1
MolPort-003-929-356 0.72 C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O
MolPort-001-794-999 0.72 OC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-020-005-948 0.72 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-001-792-423 0.72 OC(=O)C1C[C@H]2C[C@@H]1C=C2
MolPort-007-567-460 0.72 CC(=O)C12CC=CCC1CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-035-706-443 0.72 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-039-101-205 0.72 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
MolPort-035-706-441 0.72 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 0.72 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-009-014-456 0.72 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-790-505 0.72 C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-009-649-413 0.72 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-002-530-019 0.72 C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
MolPort-035-706-403 0.72 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-039-333-691 0.72 OC(=O)[C@H]1C[C@@H]2C[C@H]1C=C2
MolPort-039-338-840 0.72 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-001-742-389 0.72 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-039-052-491 0.72 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-002-481-549 0.72 CC1(C[C@@H]2C[C@H]1C=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-046-761-019 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-001-741-429 0.72 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-044-562-375 0.72 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-044-564-431 0.72 CC(=O)C12CC=CC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-044-637-462 0.72 CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-035-706-174 0.72 C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-035-706-203 0.72 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
MolPort-003-936-393 0.72 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-002-526-219 0.72 CC(=O)[C@@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-046-761-837 0.72 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-000-145-710 0.72 CC1(CC2CC1C=C2)C(O)=O
MolPort-001-742-062 0.72 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-005-944-681 0.72 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-000-653-714 0.72 OC(=O)C1CC2CC1C=C2
MolPort-035-706-314 0.72 CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-028-754-124 0.72 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 0.72 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O
MolPort-046-196-745 0.72 C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
MolPort-002-515-602 0.72 CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O
MolPort-046-596-589 0.72 CC(=O)C12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]21C
MolPort-028-952-171 0.72 OC(=O)C1=CCCCCC1
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
MolPort-002-516-984 0.72 C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
MolPort-002-841-841 0.72 CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-016-638-416 0.72 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@H]1C
MolPort-001-741-005 0.72 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-002-507-603 0.72 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-039-052-434 0.72 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-001-794-998 0.72 OC(=O)[C@H]1C[C@H]2C[C@@H]1C=C2
MolPort-039-052-627 0.72 CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
MolPort-035-706-407 0.72 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
MolPort-020-006-013 0.72 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
MCULE-1085165933 0.72 [C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
MCULE-2817082882 0.72 C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-5820761773 0.72 OC(C1(C2CCCCCC2)CC=CC1)=O
MCULE-9513706661 0.72 C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
MCULE-6699414453 0.72 CC1(CCCC1)CC1(C(O)=O)CC=CC1
MCULE-3699449483 0.72 OC(C1(C2CCC2)CC=CC1)=O
MCULE-2795374734 0.72 OC(C1(C2CCCC2)CC=CC1)=O
MCULE-6852628228 0.72 OC(C1(CC=CC1)CC1CCC1)=O
MCULE-6540776662 0.72 CC1(CCC1)CC1(C(O)=O)CC=CC1
MCULE-4248274366 0.72 OC(C1(CC=CC1)CC1CCCC1)=O
MCULE-6215916748 0.72 OC(C1(CC=CC1)CC1CC1)=O
MCULE-6424725551 0.72 C1C[C@@](C2CC[C@](C)([C@@H]([C@@]2(C)C1)CC/C(/C)=C\CO)O)(C(O)=O)C
MCULE-1536375497 0.72 CC1(C(CC2CCCC=2)CCCC1)O
MCULE-7790352459 0.72 C[C@@]1([C@H](CC2CCCC=2)CCCC1)O
MCULE-2672638007 0.72 C(O)(C)(C)[C@@H]1CC[C@H](C)C2CC[C@H](C)C=2C1
MCULE-1218384038 0.72 [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-4914143446 0.72 C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
MCULE-6957829896 0.72 [C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-8031195256 0.72 [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-4431659207 0.72 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
MCULE-4737898468 0.72 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
MCULE-3023348221 0.72 C1(C)(CC2CC1C=C2)C(O)=O
MCULE-7925068743 0.72 [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-1389326170 0.72 [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-7258934827 0.72 C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
MCULE-6147550234 0.72 [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-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-5774214368 0.72 [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-1974040943 0.72 C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-9693195749 0.72 [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-3473010637 0.72 O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
MCULE-5230788025 0.72 C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
MCULE-2570487264 0.72 OC(C1C2C=CC(C2)C1)=O
MCULE-5757363366 0.72 C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
MCULE-1877150050 0.72 C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MCULE-5686534690 0.72 C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
MCULE-1857694923 0.72 [C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
MCULE-5436553655 0.72 [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-2705141143 0.72 [C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
MCULE-2700455616 0.72 C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
MCULE-6464655857 0.72 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
MCULE-5677861178 0.72 [C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
MCULE-2458465887 0.72 O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
MCULE-9341959688 0.72 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
MCULE-2999920945 0.72 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-8721851502 0.72 [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-1509278335 0.72 [C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
MCULE-1918074338 0.72 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-9707443606 0.72 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-2506870963 0.72 C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
MCULE-9942267030 0.72 C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
MCULE-7053911643 0.72 C(O)(=O)CC1C(CC=CC)CC(C1)=O
MolPort-042-675-485 0.72 OC\C=C\CCCCCCCC(O)=O
MolPort-001-742-582 0.71 CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-035-706-315 0.71 C[C@H]1[C@@H]2[C@H]3CC[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(C)CC=C1C
MolPort-003-892-645 0.71 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)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-027-640-633 0.71 CC1(C)CC[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1
MolPort-046-691-207 0.71 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
MolPort-039-338-300 0.71 CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-003-664-396 0.71 CC1=C(O)C(=O)CC(C)(C)C1
MolPort-029-996-101 0.71 COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-029-996-102 0.71 COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-039-338-134 0.71 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)[C@@H]5CC[C@@]34C)=C2C1
MolPort-023-274-294 0.71 CC(CCO)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MolPort-039-052-487 0.71 CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-035-705-910 0.71 C[C@@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MolPort-039-052-597 0.71 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-028-754-127 0.71 CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-029-943-094 0.71 CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O
MolPort-003-925-568 0.71 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)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-035-706-466 0.71 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
MolPort-046-792-935 0.71 CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
MolPort-039-338-477 0.71 CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
MolPort-044-649-693 0.71 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-027-720-808 0.71 CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-042-675-252 0.71 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O
MolPort-039-338-393 0.71 CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
MolPort-006-112-202 0.71 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-006-113-734 0.71 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-046-765-264 0.71 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
MolPort-046-689-959 0.71 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
MolPort-046-761-042 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(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MCULE-6860357182 0.71 C(CC)=CCCCCCCCCCCO
MCULE-9964577766 0.71 CC1CC(CC2CC=CC2)C(=O)CC1
MCULE-9564685678 0.71 C(CCCCCCCC=CCCCCCCCC)(CCCCCCCC=CCCCCCCCC)=O
MCULE-5668746450 0.71 C(=CCCCC)CCCCCCCCCC=O
MCULE-9566632126 0.71 CC1C(C=O)(CC2CC=CC2)CCCC1
MCULE-2742423586 0.71 O=C1CCCCCCCC=CCCCCCCC1
MCULE-7776107404 0.71 C(CO)CCCCCCC=CCCCCCCCC
MCULE-1916450603 0.71 C(CCCCCCCCO)=CCCCCCCCCO
MCULE-4623064101 0.71 CCCCCCCCC=CCCCCCCCCCCCCO
MCULE-7136129743 0.71 CC1CC(C=O)(CC2CC=CC2)CCC1
MCULE-5812699460 0.71 OCC1(CCCCC1)CC1CC=CC1
MCULE-5459783064 0.71 C(CCCCCCCO)=CCCCCCCCO
MCULE-6689462252 0.71 OCCCC1C2C=CC(CC2)C1
MCULE-2936092419 0.71 CC(C(C)=O)CC1C2C=CC(CC2)C1
MCULE-4713145304 0.71 C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-8330160340 0.71 [C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
MCULE-1097149426 0.71 OC1C(CC2CC=CCC2)CCCC1
MCULE-4852376400 0.71 O=CCCC1C2C=CC(CC2)C1
MCULE-3830868177 0.71 CC1CC(CC2CC=CCC2)C(=O)CC1
MCULE-8621711737 0.71 C12([H])CCC=CCCC1(C2C(OC)=O)[H]
MCULE-5060620930 0.71 CC(C=O)(CC1C2C=CC(CC2)C1)C
MCULE-7089035597 0.71 C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-2960240255 0.71 O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@H]23)C1(C)C
MCULE-4393909687 0.71 C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MCULE-4490380859 0.71 O=C1CCC2(C)C3CC=C4C5(CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2(C1(C)C)[H])[H]
MCULE-4888197133 0.71 C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
MCULE-5395136417 0.71 [H]C1(C)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2CCC1=O)[H]
MCULE-8439103614 0.71 OC1C(C2(C(O)=O)CC=CC2)CCCC1
MCULE-3216123627 0.71 C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-1741751705 0.71 C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC=C1[C@H]1[C@H](CCC(C1)(C)C)CC2)C
MCULE-6436563816 0.71 C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
MCULE-6531167311 0.71 CC(CCC1C2C=CC(CC2)C1)=O
MCULE-3171016035 0.71 C1CCC2C(C(O)=O)C2C=CC1
MCULE-3247130765 0.71 OC1CC(CC2CC=CCC2)CCC1
MCULE-2814899152 0.71 O=CC1(CCCCC1)CC1CC=CCC1
MCULE-7932579394 0.71 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-3632970812 0.71 O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-7638135284 0.71 C1(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MCULE-8671876949 0.71 C12CC(C3C(=O)C(O)C13)C=C2
MCULE-2170216646 0.71 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
MCULE-2637255261 0.71 C1C2C=CC3C(C(O)=O)C(C23)C=1
MCULE-3516804753 0.71 C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-8918435387 0.71 C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(O)=O)=O
MCULE-5797410500 0.71 O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
MCULE-5844706578 0.71 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MCULE-6354515204 0.71 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MCULE-3983794608 0.71 OC1C(=O)CCC=1CC
MCULE-6649773698 0.71 C1CC2(C(CCC(C2CC/C(=C\CO)/CO)=C)C(C(O)=O)(C)C1)C
MCULE-3556948980 0.71 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
MCULE-4119972169 0.71 O=CC1(CCCCC1)CC1CC=CC1
MCULE-1321155051 0.71 CCCCCCCC/C=C\CCCCCCCCO
MolPort-000-003-562 0.71 CCC1=C(O)C(=O)CC1
MolPort-039-338-149 0.71 C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-005-945-680 0.71 CC12CCCC(C)(C1CCC(=C)C2CC\C(CO)=C/CO)C(O)=O
MolPort-042-624-137 0.71 C\C=C1/[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1=O)[C@H](C)CCC(O)=O
MolPort-029-887-059 0.71 C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MolPort-039-338-334 0.71 C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-006-133-633 0.71 CCCCCC\C=C/CCCCCC=O
MolPort-046-589-793 0.71 CCCC\C=C/CCCCCCCCCCCCO
MolPort-006-131-526 0.71 CCCC\C=C/CCCCCCCCCCCC=O
MolPort-006-128-344 0.71 CCC\C=C/CCCCCCCO
MolPort-006-131-022 0.71 CCCC\C=C/CCCCCCCCCCO
MolPort-003-987-053 0.71 CCCCCCCC\C=C/CCCCCCCCCCCCO
MolPort-003-931-111 0.71 CCCCCCCC\C=C/CCCCCCCCO
MolPort-003-928-545 0.71 CCCC\C=C/CCCCCCCCCC=O
MolPort-002-511-086 0.71 CC\C=C\CCCCCCCCCCO
MolPort-022-880-989 0.71 O=C1CCCCCCC\C=C/CCCCCCC1
MolPort-003-959-163 0.71 CCCCCC\C=C/CCCCCCCCO
MolPort-046-792-964 0.71 CCCCCCCCCC\C=C/CCCCCCCCO
MolPort-003-721-217 0.71 CCCC\C=C\CCCCCCO
MolPort-002-511-643 0.70 CC(C)C1=CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
MolPort-023-220-752 0.70 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-005-944-580 0.70 CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
MolPort-027-836-470 0.70 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
MolPort-046-765-405 0.70 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
MolPort-007-980-885 0.70 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-002-510-335 0.70 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
MolPort-020-005-851 0.70 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
MolPort-045-901-862 0.70 CC(C)C1=CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
MolPort-035-706-391 0.70 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-001-742-437 0.70 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O
MolPort-002-507-121 0.70 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
MolPort-002-519-758 0.70 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
MolPort-046-647-049 0.70 OC(=O)C1=C[C@@H]2CCCC[C@H]12
MolPort-003-958-619 0.70 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-027-835-540 0.70 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
MolPort-000-480-394 0.70 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
MolPort-002-841-842 0.70 CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
MolPort-046-153-151 0.70 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-006-069-321 0.70 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-003-940-126 0.70 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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-002-526-521 0.70 C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
MolPort-027-847-264 0.70 CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
MolPort-002-017-775 0.70 OC(=O)C1CC2C=CC1C21CC1
MolPort-003-938-611 0.70 O=C1C[C@H]2C=CC[C@@H]12
MolPort-046-511-053 0.70 C[C@@H]1[C@@H]2C=CC[C@@H]2C1=O
MolPort-003-938-563 0.70 O=C1C[C@@H]2C=CC[C@H]12
MolPort-001-790-441 0.70 O=C1CC2C=CCC12
MCULE-7010605333 0.70 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-3600048668 0.70 [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-2506206785 0.70 [C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-4586192863 0.70 O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
MCULE-6793463685 0.70 O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
MCULE-4690967590 0.70 C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
MCULE-8392723345 0.70 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
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-4823405948 0.70 [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-3588534045 0.70 C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-2445591436 0.70 C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
MCULE-1842199780 0.70 C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
MCULE-7688714216 0.70 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
MCULE-6482685801 0.70 C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-6588005387 0.70 [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-9549317752 0.70 C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
MCULE-9449984869 0.70 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-3069989292 0.70 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
MCULE-2011201542 0.70 [C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
MCULE-5701652206 0.70 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-3788851533 0.70 [C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-7472546811 0.70 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
MCULE-8807729080 0.70 [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-5031139336 0.70 C12(C3C=CC1C(C3)C(O)=O)CC2
MCULE-9151137367 0.70 O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
MCULE-2991720663 0.70 C123C(C([H])(O)C1=O)(CC=CC2)CC=CC3
MCULE-7329243914 0.70 C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C
MCULE-5000750749 0.70 C1C2C3C(C4CC3C(O)C4)C(C2)C=1
MCULE-8739489327 0.70 C12C(C(=O)C1)CC=C2
MCULE-2420758748 0.70 O=C1C2CC(C3CC=CC23)C1
MCULE-4926555419 0.70 C1C(C)C(C(O)=O)/C(=C(/C)\C)/C1
MCULE-3490312737 0.70 C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
MCULE-7136534003 0.70 CC=CCC1(C(O)=O)CC2(CCC2)C1
MCULE-7400247321 0.70 C12C=CC(C)C1C2C(O)=O
MCULE-9935430898 0.70 C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
MCULE-3161766037 0.70 C(O)(C1=CCCCCCCCCC1)=O
MCULE-9922742805 0.70 C(C)/C=C\CC(O)C(O)CCC(CCCCCCCC(O)=O)O
MCULE-7591106214 0.70 C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
MCULE-5560129850 0.70 C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
MCULE-7057445911 0.70 C12C(C=CC1)C2C(O)=O
MCULE-8147130899 0.70 C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
MCULE-1873537798 0.70 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
MCULE-8251556719 0.70 [C@H]1(C/C=C\CCO)C(CC[C@@H]1CC(=O)O)=O
MCULE-9921246997 0.70 O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
MCULE-5186769141 0.70 C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-8463642691 0.70 C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-4398945581 0.70 C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-8646276663 0.70 C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-7299298141 0.70 [C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-2791131855 0.70 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
MCULE-5480996294 0.70 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-2022303549 0.70 C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
MCULE-4822409054 0.70 C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-3935898183 0.70 C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
MCULE-9358355806 0.70 C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
MCULE-8953627920 0.70 [C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-2445362476 0.70 C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
MolPort-003-941-070 0.70 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-039-138-852 0.70 CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-021-783-103 0.70 CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-039-138-851 0.70 CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-039-139-158 0.70 CCCCC[C@@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
MolPort-003-959-213 0.70 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
MolPort-046-765-492 0.70 OCC\C=C/CC1C(CC(O)=O)CCC1=O
MolPort-039-141-882 0.70 C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
MolPort-002-528-276 0.70 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-006-668-478 0.70 OCC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
MolPort-001-739-472 0.70 CCCCC\C=C/C\C=C/C(O)CCCCCCC(O)=O
MolPort-027-640-987 0.70 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-923 0.70 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
MolPort-009-018-301 0.70 CCCCCC(=O)CC[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
MolPort-001-741-222 0.70 CC\C=C/CC(O)C(O)CCC(O)CCCCCCCC(O)=O
MolPort-046-763-158 0.70 CCCCC[C@H](O)\C=C\[C@H]1CC2CC(C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-039-141-884 0.70 C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
MolPort-004-964-448 0.70 CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-002-932-776 0.70 CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-006-391-847 0.70 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
MolPort-006-393-332 0.70 [2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
MolPort-046-766-234 0.70 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
MolPort-006-113-487 0.70 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-007-980-854 0.70 CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-046-793-261 0.70 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-035-924-387 0.70 CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
MolPort-046-766-226 0.70 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
MolPort-046-793-262 0.70 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-196-703 0.70 C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
MolPort-002-176-715 0.70 CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
MolPort-019-949-553 0.70 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-023-279-448 0.70 C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
MolPort-002-622-310 0.70 NCC1CC2CC1C=C2.OC(=O)C1C[C@H]2CC[C@@H]1C2
MolPort-006-069-316 0.70 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
MolPort-046-683-789 0.70 [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-002-157-619 0.70 CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-001-794-637 0.70 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-510-100 0.70 CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-692-934 0.70 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-000-713-768 0.70 CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-046-596-366 0.70 CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-529-087 0.70 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-006-131-902 0.70 C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-911-100 0.69 CC12CCC3C(CCC4=CCCCC34)C1CCC2O
MolPort-002-911-107 0.69 CC12CCC3C(CCC4=CCCCC34)C1CCC2=O
MolPort-027-637-299 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](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
MolPort-023-299-061 0.69 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-046-762-299 0.69 C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
MolPort-046-596-343 0.69 C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MolPort-002-529-788 0.69 CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CCC(O)C(C)(C)C1CC4
MolPort-039-339-171 0.69 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
MolPort-046-153-745 0.69 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C=O
MolPort-044-637-544 0.69 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-002-509-792 0.69 C[C@]12CCC3[C@@H](CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MolPort-020-007-892 0.69 C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-007-980-904 0.69 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O
MolPort-039-052-639 0.69 CC1(C)CC[C@]2(C)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
MolPort-005-932-642 0.69 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-527-314 0.69 CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC4
MolPort-002-501-996 0.69 CC(=O)CC1CCC=C1
MolPort-046-690-337 0.69 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-451 0.69 [2H]C([2H])([2H])C([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
MolPort-001-816-339 0.69 OC(=O)C(C1CCC=C1)C(O)=O
MolPort-001-794-936 0.69 OC(=O)CC1=CCCCC1
MolPort-002-678-933 0.69 CC1=C(C)CC(CC1)C(O)=O
MolPort-022-366-438 0.69 CC1=CCC(CC1)C(O)=O
MolPort-044-615-514 0.69 CC1=C(C)CC(C)(CC1)C(O)=O
MolPort-022-368-244 0.69 CC1=CCC(C)(CC1)C(O)=O
MCULE-3227878705 0.69 [H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O
MCULE-5588914917 0.69 O=CC1(CCC1)CC1C2C=CC(CC2)C1
MCULE-5946438019 0.69 C[C@]12C3[C@@H]([C@@]4([C@@H](CC=3)C(C)(C)[C@H](O)CC4)C)CC[C@]1(C)[C@@H]1[C@@H](C)[C@H](C)CC[C@]1(C)CC2
MCULE-4780950529 0.69 [H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
MCULE-4126238786 0.69 O=CC1(CC1)CC1C2C=CC(CC2)C1
MCULE-6337171250 0.69 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-1753922453 0.69 [H][C@@]12[C@]3(CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C=O)CC[C@H]2C(=C)C)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O)C)[H])[H]
MCULE-7214232871 0.69 C1C2=CCCC(C(C)C)C2CC(C=O)C1C
MCULE-5100609642 0.69 [C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CCC1[C@@]3(C(C(C)(C)[C@H](CC3)O)CCC2=1)C)C
MCULE-7023706443 0.69 C1C(O)C(C)(C)C2CC=CCC2(C)C1
MCULE-3814030883 0.69 [C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)C1CCC2=O
MCULE-1095982134 0.69 [H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
MCULE-2484766562 0.69 C1C[C@@]2([C@]3(CC[C@@]4([C@]5([C@H](C(C)=C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])[H])[H])C
MCULE-5790792765 0.69 O=C1C(CC2C3C=CC(CC3)C2)CCC1
MCULE-1038909539 0.69 C1C[C@]2(C)C3CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@](CO)(C)[C@@H]1O
MCULE-4409286429 0.69 O=C1CCC2(C)C1(CCC1(C)C3(C)CCC4(C)CCC(C)(C)CC4(C3=CCC21)[H])[H]
MCULE-3020606954 0.69 O=C1CC(C)(C)C2CC=CCC2C1(C)C
MCULE-5966520622 0.69 C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
MCULE-3236832984 0.69 C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-8573249352 0.69 [H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(C)=O
MCULE-4823416344 0.69 CC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-7199540909 0.69 O=C(C1CCCCC1)CC1CC=CCC1
MCULE-2614181271 0.69 CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
MCULE-9756913466 0.69 C12CCC3=CCCCC3C1CCC1(C)C(CCC21)=O
MCULE-8109491654 0.69 [C@]12(C)CC[C@H]3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@@H]1CCC2=O
MCULE-1729412984 0.69 C(C1CCC=C1)(C(O)=O)C(O)=O
MCULE-9909477927 0.69 OC(CC1CCCCC=1)=O
MCULE-9625022025 0.69 CC1CCC(C(=O)O)(C)CC=1
MCULE-8045534685 0.69 C(O)(C(CC)C1CCCCC=1)=O
MCULE-6601751883 0.69 C1(C)CC(CCC=1C)C(O)=O
MCULE-3212175174 0.69 C1(C)(CCC(=C(C)C1)C)C(O)=O
MCULE-8499932204 0.69 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
MCULE-8394821836 0.69 C12(C)C(=O)C=C(O)C(CC1)C2(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-2422100047 0.69 C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
MCULE-1352194754 0.69 C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-2496014695 0.69 C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
MCULE-2721005128 0.69 C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
MCULE-6672254923 0.69 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-4589748840 0.69 NC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-9700928997 0.69 C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
MCULE-7173744939 0.69 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
MCULE-6629316076 0.69 O=C1C(=CO)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-4134342158 0.69 [C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
MCULE-8041079323 0.69 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
MCULE-1010776591 0.69 C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
MCULE-8193803152 0.69 CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
MCULE-6713995732 0.69 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-2196052177 0.69 [K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-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-2458381576 0.69 C1C2C(=O)C(CC(C(=O)O)C2)C=C1
MCULE-6821384626 0.69 O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
MCULE-8297574712 0.69 C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
MCULE-1627239407 0.69 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
MCULE-9029872817 0.69 C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
MCULE-2271099763 0.69 C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
MCULE-1091603091 0.69 C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MCULE-6005158959 0.69 CC1CC(CC2CC=CC2)(O)CCC1
MCULE-6091105789 0.69 C=C(CCCCCC(=O)O)C
MCULE-2258345539 0.69 O=CC1(C2CC(CC2)C1)CC1CC=CC1
MCULE-2837812117 0.69 C=C(C)CCCCC(=O)O
MCULE-7502094563 0.69 OC1(CCCCC1)CC1CC=CC1
MCULE-1403801057 0.69 C(CCCCCC(=O)O)CCCCCCC=C
MCULE-9714012387 0.69 C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
MCULE-2990920571 0.69 CC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-7590026618 0.69 CC1C(CC2CC=CC2)(O)CCCC1
MCULE-3892173219 0.69 C(CCCCCCCC=C)(O)=O
MCULE-6571932731 0.69 C=CCCCCCC(=O)O
MCULE-4078078854 0.69 CC(C(C)=O)CC1CC=CCC1
MCULE-2215895979 0.69 C1=C(C)CCC(C)(CCC(CC)O)C1C
MCULE-6863504457 0.69 O=C(CCCCC(O)=O)CCCCCCCCC=C
MCULE-4736378843 0.69 CC(C=O)(CC1CC=CCC1)C
MCULE-7974840074 0.69 C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
MCULE-8227436556 0.69 C1(=O)CCCC=CCCCCCCCCCC1
MCULE-7928135942 0.69 C(CCCCCCCCC=C)(O)=O
MolPort-001-816-138 0.69 OC(=O)C1CC2CC=CC(C1)C2=O
MolPort-046-689-989 0.69 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-039-338-623 0.69 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-001-739-597 0.69 CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
MolPort-028-754-128 0.69 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
MolPort-046-689-498 0.69 C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-910-713 0.69 OC(=O)C1C2CCC(C=C2)C1C(O)=O
MolPort-044-723-276 0.69 C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
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
MolPort-046-196-836 0.69 C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-044-723-310 0.69 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-338-146 0.69 C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-005-944-682 0.69 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-042-675-253 0.69 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-002-135-152 0.69 OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
MolPort-046-761-814 0.69 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
MolPort-005-945-021 0.69 CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
MolPort-001-741-330 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)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-044-193-687 0.69 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
MolPort-028-744-491 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
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
MolPort-035-706-218 0.69 C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
MolPort-028-606-852 0.69 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
MolPort-002-507-350 0.69 CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-046-153-747 0.69 C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
MolPort-016-584-038 0.69 CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
MolPort-035-706-191 0.69 CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
MolPort-046-153-162 0.69 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-003-983-803 0.69 [K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
MolPort-001-781-437 0.69 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
MolPort-039-337-172 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)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
MolPort-020-005-924 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
MolPort-046-790-504 0.69 CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-046-646-765 0.69 OC(=O)C1=CC2CCCC12
MolPort-003-848-083 0.69 C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-039-052-422 0.69 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-023-221-456 0.69 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
MolPort-035-683-228 0.69 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-003-800-478 0.69 OC(=O)C1=C(C2C3C4CC2C1C34)C(O)=O
MolPort-028-746-650 0.69 OC(=O)CCCCCCCCCCCCC=C
MolPort-023-213-102 0.69 CC(=C)CCCCCCC(O)=O
MolPort-002-894-354 0.69 OC(=O)CCCCCCCC(=O)CCCCCCCCC=C
MolPort-023-213-092 0.69 OC(=O)CCCCCC=C
MolPort-023-213-093 0.69 OC(=O)CCCCCCC=C
MolPort-023-213-100 0.69 CC(=C)CCCCC(O)=O
MolPort-006-069-065 0.69 OC(=O)CCCCCCCCCC=C
MolPort-002-507-443 0.69 CCC(O)CCC1(C)CCC(C)=CC1C
MolPort-002-507-392 0.69 OC(=O)CCCCCCCCC=C
MolPort-023-213-101 0.69 CC(=C)CCCCCC(O)=O
MolPort-000-153-810 0.69 OC(=O)CCCCCCCC=C
MolPort-044-729-335 0.69 OCC1CCC\C=C/CC1
MolPort-002-511-854 0.69 CCC(O)CC[C@]1(C)CCC(C)=CC1C
MolPort-002-511-836 0.69 CC(O)CC[C@]1(C)CCC(C)=CC1C
MolPort-035-862-149 0.69 OCC1CCC=CCC1
MolPort-027-641-391 0.68 [2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MolPort-009-018-831 0.68 OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-046-689-149 0.68 CCCCC\C=C\C=C\CCCCCCCCC(O)=O
MolPort-009-018-862 0.68 CCCCCC\C=C\C=C/CCCCCCCC(O)=O
MolPort-022-366-457 0.68 CC(C(O)=O)C1=CCCC1
MolPort-006-123-523 0.68 OC(=O)CC1=CCCC1
MolPort-006-123-577 0.68 CC1CC(=O)C(O)=C1C
MolPort-009-018-846 0.68 CCCCC\C=C/C=C\CCCCCCCCC(O)=O
MolPort-006-169-924 0.68 CCCCC\C=C/C=C/CCCCCCCCC(O)=O
MolPort-023-332-906 0.68 CCCCCC1CC(O)=CC(=O)C1
MolPort-006-111-373 0.68 CC1=C(C(O)=O)C(C)(C)CCC1
MolPort-006-395-227 0.68 [2H]C([2H])([2H])C(O)(C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O)C([2H])([2H])CCC
MolPort-002-800-680 0.68 CC(C)(C)C1CCC(=CC1)C(O)=O
MolPort-035-706-109 0.68 CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
MolPort-001-742-733 0.68 CCCCCCCC(O)\C=C/C(O)CCC(O)CCCC(O)=O
MolPort-046-688-079 0.68 CC(C1CC=C(C)C(=O)C1)C(O)=O
MolPort-028-745-366 0.68 CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-046-677-790 0.68 OC(=O)C1=CC2CCCCCCC12
MolPort-021-804-689 0.68 CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
MolPort-003-958-817 0.68 CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-004-964-914 0.68 CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-003-959-458 0.68 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC
MolPort-046-703-359 0.68 CCCCC(C)(O)C\C=C\C1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-046-697-152 0.68 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
MolPort-044-755-255 0.68 CC(=O)[C@]1(C)[C@H](O)CC2=C1CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]12C
MolPort-035-668-919 0.68 CC1=C2CCC3C4C[C@@H](C#C)C(O)C4(C)CCC3C2CCC1=O
MolPort-039-338-234 0.68 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
MolPort-006-111-863 0.68 C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)C[C@H](O)[C@H]21
MolPort-007-980-824 0.68 CCC12CCC3C(CCC4=CC(=O)CCC34)C1C[C@@H](C#C)C2O
MolPort-046-589-843 0.68 COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
MolPort-001-970-998 0.68 OC(=O)C1C2C=CC(C3CC23)C1C(O)=O
MCULE-1919718019 0.68 C1CC2CCC=C2C(C)(C)C1=O
MCULE-1825456795 0.68 C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
MCULE-5897136444 0.68 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
MCULE-2959266522 0.68 CCCCCCCC(O)/C=C\C(CCC(O)CCCC(=O)O)O
MCULE-5183068201 0.68 C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
MCULE-5903352413 0.68 CCCCCC1CC(=CC(=O)C1)O
MCULE-2797527002 0.68 C1(C(=O)O)=CCC(CCCCCC)CC1
MCULE-9150714373 0.68 C1(C(C)(C)CCCC=1C)C(O)=O
MCULE-9857200349 0.68 C1(CCC(CC=1)C(C)(C)C)C(O)=O
MCULE-3750924928 0.68 C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
MCULE-9499600420 0.68 C12CC1C1C(C(O)=O)C(C(O)=O)C2C=C1
MCULE-2776644728 0.68 C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C[C@@H](C#C)C2O
MCULE-3124415982 0.68 C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
MCULE-2255462467 0.68 C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
MCULE-4899138148 0.68 C1C2C3([H])C(C2(C(O)=O)C(O)(C)C)C=CC3C=1
MCULE-7030538659 0.68 C12(C(=O)O)C3C4C5C1C=CC5C2(C(=O)O)C4C=C3
MCULE-6251052191 0.68 C12(C)CCC3C(CCC4=C(C(=O)CCC43)C)C1CC(C#C)C2O
MCULE-1067345384 0.68 [C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO)O
MCULE-8949375623 0.68 C/C(/C)=C/CCC1CC(O)CCC1
MCULE-7703543535 0.68 C1(C)(CC/C=C(\C)/C)CC(C)(C)CC(=O)C1
MCULE-1529769635 0.68 CC(C(C)=O)CC1CC=CC1
MCULE-9513927762 0.68 CC1C2(C)CCC3C4(C)CCC(CC/C=C(\C)/C)(C)CC4(C)CCC3(C)C2CCC1=O
MCULE-9484484276 0.68 C1C[C@@]2([H])[C@]3(C)CC[C@@]4(C)C[C@@](CC/C=C(/C)\C)(C)CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C1=O
MCULE-9520777832 0.68 C(O)(=O)C1CCC(CC1)=C
MCULE-2856968398 0.68 C1=CC2C3C4C(C(CCO)C13)C=CC4C2CCO
MCULE-7682763192 0.68 [C@@]12(C)CC[C@@]3(CO)CC[C@@H](C)[C@H](C)[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@]12C
MCULE-6577726631 0.68 CC1([C@@]2([H])[C@](C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](CCCC(C)C)C)C=3CC2)(C)CC[C@@H]1O)C
MCULE-4640003531 0.68 C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
MCULE-3918504016 0.68 [C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-8719465843 0.68 C12(C)CCC([H])(C(C)CC/C=C(\C)/C)C1(C)CCC1C3(C([H])(C(C)(C)C(CC3)O)CCC2=1)C
MCULE-3300513366 0.68 C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MCULE-5866062254 0.68 O=C(C1CC1)CC1C2C=CC(CC2)C1
MCULE-5595700484 0.68 [H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O
MCULE-5010058438 0.68 [H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
MCULE-6927409255 0.68 C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC/C=C(/C)\C
MCULE-6692951185 0.68 [C@@]12(C)CC[C@H]([C@H](C)CC/C=C(/C)\C)[C@@]1(C)CCC1[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CCC2=1)C
MCULE-8714614317 0.68 C=CC(CC1C2C=CC(CC2)C1)=O
MCULE-3259621922 0.68 C(O)(CC1CCCC(=C)C1)=O
MCULE-3174021569 0.68 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-9083020972 0.68 C1C[C@@]2(C)CC[C@@H](C(O)(C)C)CC2=C(C)C1
MCULE-6340408888 0.68 C1CC2(C)C3CCC(=C)C(CC(=O)O)C3(C)CCC2C(C)(C)C1
MCULE-6020208251 0.68 O[C@@H]1C(C)(C)[C@@]2([H])[C@](C3CC[C@]4(C)[C@@](CC[C@H]4[C@H](C)CC/C=C(/C)\C)(C)C=3CC2)(C)CC1
MCULE-5212919737 0.68 CC(C(CC1C2C=CC(CC2)C1)=O)=C
MCULE-5841728721 0.68 O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H]
MCULE-5127489047 0.68 C12=CC[C@@]3([C@](C)(CC[C@H](O)[C@H]3C)C1CC[C@]1(C)[C@H](CCC12)[C@H](C)CCC(C(C)C)=CC)[H]
MCULE-5371316798 0.68 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@H]1O
MCULE-6049121935 0.68 [H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-9808647935 0.68 [H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-2778793698 0.68 C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
MCULE-4639928435 0.68 C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-5494176046 0.68 O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@H]23)O)C1(C)C
MCULE-7855057974 0.68 O=C(C1CCC1)CC1C2C=CC(CC2)C1
MCULE-3406692868 0.68 CC1(C(CC2C3C=CC(CC3)C2)=O)CC1
MCULE-5456178986 0.68 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-1280449807 0.68 CC1C(C(CC2C3C=CC(CC3)C2)=O)C1
MCULE-9666470335 0.68 O[C@@]1(CC=C)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-7490068037 0.68 C1(=C)C2CCCC1CC(C(O)=O)C2
MCULE-3804311142 0.68 C1C2CC(CC(=O)C)C(C2)C=1
MCULE-1881964892 0.68 C(CCCC=CCCCC(O)=O)(O)=O
MCULE-1620592725 0.68 C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CO)CCC(C)C(C)C21[H])[H]
MolPort-003-960-121 0.68 CC\C=C/CCCCCO
MolPort-046-594-349 0.68 CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C
MolPort-020-005-764 0.68 C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C
MolPort-044-562-373 0.68 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-194-134 0.68 CCC(\C=C\C(C)C1CC[C@H]2C3=CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-003-986-853 0.68 C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C
MolPort-019-936-770 0.68 CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
MolPort-029-887-078 0.68 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-687-421 0.68 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](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-003-959-866 0.68 C[C@@H]1CC[C@]2(CO)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
MolPort-000-146-138 0.68 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-037-962-730 0.68 OCC1CCCCC=C1
MolPort-019-937-479 0.68 CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-038-386-720 0.68 CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)=O)C(=C)CCC21
MolPort-046-790-358 0.68 C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-001-740-928 0.68 C[C@@]12CCC[C@](C)(C1CCC13CC(CCC21)C(=C)C3)C(O)=O
MolPort-039-052-710 0.68 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-022-371-002 0.68 OC(=O)C1(CC=C)CCCCC1
MolPort-002-506-872 0.68 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-046-774-180 0.68 OC(=O)C1(CCCCC1)C=C
MolPort-002-687-552 0.68 OC(=O)CCC\C=C/CCCC(O)=O
MolPort-009-196-248 0.68 OC(=O)C1CCC(=C)CC1
MolPort-039-338-446 0.68 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)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-027-637-273 0.68 CC1=C2C[C@@H](CC[C@]2(C)CCC1)C(C)(C)O
MolPort-002-525-071 0.68 C\C=C(\CC[C@@H](C)[C@H]1CCC2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-028-599-899 0.68 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-035-706-381 0.68 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-028-599-898 0.68 CC1(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-027-945-607 0.68 CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1CCC(O)C(C)(C)C1CC3
MolPort-002-510-659 0.68 CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-035-706-324 0.68 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](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-035-706-400 0.68 CC1(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-046-764-482 0.68 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O
MolPort-006-169-225 0.68 CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
MolPort-044-657-110 0.68 OC(=O)CC1(CCCCC1)C=C
MolPort-046-793-116 0.68 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-683-361 0.68 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-925-627 0.68 CC1(C)CC[C@]2(CO)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
MolPort-044-723-330 0.68 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-039-338-835 0.68 C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-300 0.68 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-338-728 0.68 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-287 0.68 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-516 0.68 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-004-956-484 0.68 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-836-465 0.68 C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-027-640-938 0.67 CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-022-375-199 0.67 OC(=O)C(C1CCCC=C1)C(O)=O
MolPort-038-386-610 0.67 C\C(CO)=C/CCC(CO)C1CCC2(C)C3CCC(C(=C)CO)C4(CCC(O)=O)CC34CCC12C
MolPort-035-706-339 0.67 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MolPort-046-201-849 0.67 COC(=O)C1CCC=CCC1
MolPort-039-052-611 0.67 C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\C(O)CO
MolPort-039-052-516 0.67 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-035-706-448 0.67 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
MolPort-039-052-559 0.67 COC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-035-706-445 0.67 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 0.67 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)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-035-706-438 0.67 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
MolPort-044-723-229 0.67 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-339-168 0.67 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-028-599-904 0.67 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
MolPort-002-510-183 0.67 C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
MolPort-020-005-967 0.67 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
MolPort-046-689-970 0.67 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-947-880 0.67 OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@H]1C(O)=O
MolPort-001-740-583 0.67 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
MolPort-046-683-739 0.67 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
MolPort-005-944-881 0.67 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-005-944-940 0.67 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
MolPort-046-690-063 0.67 [2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-023-298-994 0.67 CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-002-526-056 0.67 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
MolPort-046-790-392 0.67 C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-002-800-179 0.67 CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
MolPort-002-510-704 0.67 C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
MolPort-001-783-149 0.67 OC(=O)[C@H]1C2CC(C=C2)[C@H]1C(O)=O
MolPort-044-561-334 0.67 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-002-525-628 0.67 CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
MolPort-023-299-005 0.67 CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-035-706-464 0.67 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
MolPort-021-804-809 0.67 CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-006-066-916 0.67 OC(=O)C1[C@H]2C[C@@H](C=C2)[C@H]1C(O)=O
MolPort-005-945-884 0.67 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O
MolPort-003-801-798 0.67 C[C@]1(C2CC(C=C2)[C@@H]1C(O)=O)C(O)=O
MolPort-046-761-514 0.67 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-596-344 0.67 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
MolPort-006-394-318 0.67 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-007-980-917 0.67 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-038-386-599 0.67 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
MolPort-028-960-858 0.67 OC(=O)C1[C@H]2C[C@H](C=C2)C1C(O)=O
MolPort-002-911-143 0.67 C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-002-514-171 0.67 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-019-937-542 0.67 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
MolPort-035-706-299 0.67 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-046-790-501 0.67 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-046-693-184 0.67 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-046-153-161 0.67 CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-028-754-175 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]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-046-761-519 0.67 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-019-936-761 0.67 CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C
MolPort-004-786-162 0.67 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
MolPort-004-786-165 0.67 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](O)CC[C@]31C
MolPort-028-610-172 0.67 CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
MolPort-039-338-562 0.67 CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-000-142-104 0.67 OC(=O)C1C2CC(C=C2)C1C(O)=O
MolPort-030-084-563 0.67 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
MolPort-039-338-384 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]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-002-513-837 0.67 CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
MolPort-019-937-543 0.67 CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
MCULE-8698326526 0.67 C(CCCCCCCCCC=CCC=CCCCCC)(=O)OC
MCULE-5967637309 0.67 O=C1C(O)=C(C2C(O)CCC2)CC1
MCULE-8052468805 0.67 C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
MCULE-1556522580 0.67 C1(=O)CCC=CCCCCC1
MCULE-7654868641 0.67 CC(C(C1(C(O)=O)CC=CC1)C)C
MCULE-5824284147 0.67 O=C(C1C2C(C2)CCC1)CC1CCCC=1
MCULE-8779705243 0.67 OC(C12CCCC1C2)CC1CCCC=1
MCULE-2366326470 0.67 C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
MCULE-9137191737 0.67 C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
MCULE-7459604539 0.67 O=C1C(CC2CC=CCC2)CCCCC1
MCULE-2184969189 0.67 OCC1(CC2C(C2)C1)CC1CC=CC1
MCULE-7610148262 0.67 C1C(C(=O)O)(C)C=CCC1
MCULE-1089286417 0.67 C(/CCCCCCCC(OC)=O)=C/C/C=C\CCCCC
MCULE-4878329713 0.67 O=CC1(CC1)CC1CC=CCC1
MCULE-8974284912 0.67 CCC(C1(C(O)=O)CC=CC1)C
MCULE-3919531574 0.67 C1CC(CCC=1C)C(C)CO
MCULE-2950001631 0.67 C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
MCULE-1747951282 0.67 C1CC23C=CC(O)([H])C2(CCCC3)CC1
MCULE-3486771028 0.67 C(CC(=O)OCC)CCCCCC=CCCCCCCCC
MCULE-4874634113 0.67 C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
MCULE-4374730563 0.67 O=C1CC2CCCCC2=C1
MCULE-1877898399 0.67 O=C(C1CC2C(C2)CC1)CC1CCCC=1
MCULE-4641005233 0.67 O=CC1(CCCC1)CC1CC=CCC1
MCULE-1323244269 0.67 O=C(C1CCCC=1)C1CC2(CC2)CCC1
MCULE-6595352093 0.67 O=C(C12CCCC1C2)CC1CCCC=1
MCULE-9326244207 0.67 O=C(C1CCCC=1)C1CCC2(CC2)CC1
MCULE-7704943892 0.67 C1(CC)CC(=O)CCCCC=C1
MCULE-4609643145 0.67 C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
MCULE-2404322318 0.67 C(=O)(CC(O)C/C=C\CCCCCC)O
MCULE-6807015507 0.67 OC1C(CC2CC=CCC2)CCC1
MCULE-9968239395 0.67 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
MCULE-4399438587 0.67 CCCCCC=CCC=CCCCCCCCC(=O)OC
MCULE-7546264090 0.67 O=C(C[C@]1(C[C@]2([H])[C@]1(C=C(C2)CC)[H])CN)O
MCULE-3486573074 0.67 CC1C(=O)CCC1CC1CC=CCC1
MCULE-1031499239 0.67 CC1(CC(=O)CC1)CC1CC=CCC1
MCULE-3440045209 0.67 O=C([C@H]1C[C@@H]2[C@@H](C2)C1)CC1CCCC=1
MCULE-4272187140 0.67 C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
MCULE-5459126693 0.67 O=C(C1C2CC(CC2)C1)CC1CC=CC1
MCULE-7116827600 0.67 O=CC1(CCC1)CC1CC=CCC1
MCULE-7908633302 0.67 CC1C(C=O)(CC2CC=CCC2)CCC1
MCULE-7060414091 0.67 OCC1(CC=CC1)CC1CCCCC1
MCULE-9608185744 0.67 CC1CC(C=O)(CC2CC=CCC2)CC1
MCULE-4576776987 0.67 C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
MCULE-8180565288 0.67 O=C1C=C(CC2C3CCC(CC3)C2)CC1
MCULE-9535038485 0.67 C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
MCULE-9199968322 0.67 C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
MCULE-2524148130 0.67 C(CCCC(=O)OC)CCCCCC=CCC=CCC=CCC
MCULE-2475543698 0.67 C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
MCULE-2003683212 0.67 O=C(C[C@]1(C[C@]2([H])[C@]1(C=C(C2)CC)[H])CN)O
MCULE-3753766880 0.67 C(CCCCCCCC=CCC=CCC=CCC)(OC)=O
MCULE-8671525222 0.67 C(CCCCCCCCC=C)(=O)[O-].[K+]
MCULE-3625394348 0.67 O=C1C=C(CC2CC=CC2)CCCC1
MCULE-7859787767 0.67 CC(C(CC1CC=CCC1)=O)(C)C
MCULE-8824898935 0.67 C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
MCULE-5286515274 0.67 C1C(C(C)(C(=O)O)C(=O)O)C=CCC1
MCULE-8429170945 0.67 C1C(CC(O)=O)C(C=C)CC=1
MCULE-2674225616 0.67 OC1C(C2(C(O)=O)CC=CC2)CCC1
MCULE-4871834352 0.67 OC(C1(CC=CC1)CC1(CCCC1)O)=O
MCULE-7899364914 0.67 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MCULE-8374913301 0.67 CC1(C(C2(C(O)=O)CC=CC2)CCC1)O
MCULE-9482226349 0.67 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-8942317491 0.67 [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-4121463357 0.67 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-1404184811 0.67 C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)C1O)C
MCULE-9448141357 0.67 C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
MCULE-2016404995 0.67 C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
MCULE-2390783905 0.67 [C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
MCULE-5689703166 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)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
MCULE-4704690733 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)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-7712069033 0.67 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-9780635677 0.67 [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
MCULE-7022735372 0.67 C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-8008111833 0.67 [C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
MCULE-9798718462 0.67 [C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(O)=O)C=C2
MCULE-3353799719 0.67 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
MCULE-3559356203 0.67 O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
MCULE-7009109930 0.67 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)CO)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-4786407254 0.67 C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
MCULE-8179123738 0.67 [C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
MCULE-8464537126 0.67 CC12C(O)CCCC1=CC(=O)CC2
MCULE-9024219601 0.67 C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
MCULE-9301209033 0.67 [C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
MCULE-2810354958 0.67 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-1536126723 0.67 C(O)(C1C(C2C3(CCCC3)C1C=C2)C(O)=O)=O
MCULE-8919412541 0.67 C12CC(C(C(O)=O)C1C(O)=O)C=C2
MCULE-3751237146 0.67 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-2832089707 0.67 C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MCULE-9310117393 0.67 C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
MCULE-8297407788 0.67 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-4963816026 0.67 O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
MCULE-8057091309 0.67 [C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
MCULE-9381861258 0.67 C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-3986896794 0.67 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-2997369368 0.67 CC1(CC(O)CC1)CC1CC=CCC1
MCULE-3639141823 0.67 CC(C1(CC1)CC1CC=CCC1)=O
MCULE-7656108129 0.67 CC1C(CC2CC=CCC2)CCC1O
MCULE-3707649630 0.67 C(=O)(C=C)CCCCCC(=O)O
MCULE-5304256304 0.67 C(=O)(CCCC=C)CCCCCC(=O)O
MCULE-8979245765 0.67 O=C1C(CC2CC=CCC2)CCC1
MCULE-1531956184 0.67 C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
MCULE-3727435032 0.67 C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2076771260 0.67 O=C1CC(CC2CC=CCC2)CCCC1
MCULE-5343555845 0.67 OC1CC(CC2CC=CCC2)CC1
MCULE-8944178238 0.67 CCCCCCCCC(C(/C=C\C(O)CCCCC(O)=O)O)O
MCULE-6547047070 0.67 O=C(C12CCCCC1C2)CC1CCCC=1
MolPort-046-697-317 0.67 CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
MolPort-000-832-360 0.67 CC1(C)CCCC2=C1CC(C(C2)C(O)=O)C(O)=O
MolPort-044-637-555 0.67 CCCCCC\C=C/CC(O)CC(O)=O
MolPort-022-365-292 0.67 OC(=O)C1CCCC=C1
MolPort-044-649-708 0.67 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
MolPort-003-913-461 0.67 O=C1CC2CCCCC2=C1
MolPort-019-936-820 0.67 COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
MolPort-002-130-596 0.67 CC1=CC(C)(C)C(C(C1)C(O)=O)C(O)=O
MolPort-003-937-572 0.67 CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC
MolPort-003-927-109 0.67 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC
MolPort-003-941-061 0.67 CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
MolPort-044-183-126 0.67 CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-044-561-066 0.67 OC(=O)CCCCCCC\C=C/C\C=C/CCCC#C
MolPort-006-130-881 0.67 CCCCCC\C=C/CCCCCCCC(=O)OCC
MolPort-003-941-323 0.67 CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)OC
MolPort-006-114-411 0.67 CCCCCC=CCC=CCCCCCCCC(=O)OC
MolPort-002-114-330 0.67 CC1C=C(C)CC(C1C(O)=O)C(O)=O
MolPort-044-183-401 0.67 CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)OC
MolPort-044-183-243 0.67 CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-003-941-067 0.67 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
MolPort-003-927-110 0.67 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC
MolPort-003-666-886 0.67 [Zn++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
MolPort-035-706-463 0.67 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
MolPort-005-945-320 0.67 CCCCCCCCC(O)C(O)\C=C/C(O)CCCCC(O)=O
MolPort-003-922-566 0.67 O=C1CCCCC\C=C/CC1
MolPort-039-063-536 0.67 CCC(O)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-003-895-953 0.67 CC1(CCCC=C1)C(O)=O
MolPort-046-693-183 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)=O
MolPort-002-159-548 0.67 CCCCC1(CC(C)=C(C)CC1C(O)=O)C(O)=O
MolPort-009-018-970 0.67 CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-044-727-746 0.67 CCC1=C[C@@H]2[C@@H](C[C@]2(CN)CC(O)=O)C1
MolPort-039-138-850 0.67 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-203-126 0.67 O=C1CC2(CCCCC2)C=C1
MolPort-039-138-854 0.67 CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-009-018-990 0.67 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
MolPort-001-788-276 0.67 CCCCCCCC\C=C/CCCCCCCC(=O)OCC
MolPort-046-677-777 0.67 OC(=O)C1=CC2CC\C=C/CCC12
MolPort-003-941-189 0.67 CC\C=C\C\C=C\C\C=C\CCCCCCCCCC(=O)OC
MolPort-002-509-734 0.67 [K+].[O-]C(=O)CCCCCCCCC=C
MolPort-046-677-788 0.67 OC(=O)C1=CC2CCCCCC12
MolPort-046-153-126 0.67 CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O
MolPort-046-647-152 0.67 OC(=O)C1CC2(C1)CC(=C)C2
MolPort-003-925-090 0.67 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
MolPort-001-785-547 0.67 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
MolPort-003-937-816 0.67 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC
MolPort-046-690-127 0.66 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC=C2C(=O)CO
MCULE-8494008475 0.66 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-1397397840 0.66 O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
MCULE-2655341532 0.66 C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C1O)(C(O)=O)C)C
MCULE-4849477341 0.66 [C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
MCULE-7321817046 0.66 CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
MCULE-3272252898 0.66 O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
MCULE-8839185629 0.66 N#C[C@H]1[C@H](C(=O)C)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)O)=CC3)[H])([H])C1
MCULE-9248944569 0.66 C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
MCULE-9929818229 0.66 [Na+].[Na+].C1C2CC(C(C([O-])=O)C2C([O-])=O)C=1
MCULE-3259874247 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)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-9416273604 0.66 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-1391058013 0.66 C12(CC1)C1C=CC2C(C1C(O)=O)C(O)=O
MCULE-8805854090 0.66 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MCULE-7803183347 0.66 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-7720595428 0.66 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-7588379835 0.66 C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
MCULE-6949149768 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)C[C@@H](O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
MCULE-9540409196 0.66 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-6950544067 0.66 [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-6501593178 0.66 C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
MCULE-6879064173 0.66 C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
MCULE-2479536906 0.66 [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-6325385060 0.66 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
MCULE-3860629045 0.66 C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
MCULE-7240141445 0.66 [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-1049317957 0.66 [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-2036056204 0.66 C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
MCULE-6215568256 0.66 [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-5362337107 0.66 C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2=CC1O)O
MCULE-9966885116 0.66 [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-2247897001 0.66 COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
MCULE-4114109251 0.66 C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
MCULE-3392411245 0.66 [C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-7221302841 0.66 CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
MCULE-9205570843 0.66 C(O)(CC(=O)O)C(C/C=C\CCCCC)C(=O)O
MCULE-6334133550 0.66 C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
MCULE-8346653877 0.66 CC1CC(C)(C)CCC=1C(=O)O
MCULE-4202565953 0.66 C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
MCULE-9123998949 0.66 C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
MCULE-7930269142 0.66 C12C(C1/C(/C1CC21)=C(\C)/C)C(O)=O
MCULE-7293878607 0.66 C(/C/C=C\CCCC(=O)O)=C/C/C=C\C/C=C\CCCCC
MCULE-7182736800 0.66 C(CC=CCCCC(O)=O)=CCC=CCC=CCCCCC
MCULE-8040115902 0.66 C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
MCULE-3066570238 0.66 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-7115760688 0.66 OC(C1C2(CC2)C1)CC1CCCC=1
MCULE-3240845890 0.66 C1C[C@@]2(C)[C@@](C[C@H](C(C(=O)O)=C)CC2)([C@@](C1)(O)C)[H]
MCULE-8414068028 0.66 C1(CCCCCC=1)C=O
MCULE-7419704729 0.66 C123C=CC1(CCC(O)C2)CCCC3
MCULE-9601196069 0.66 C12([H])CC=CC1([H])CC(=O)C2
MCULE-9204788308 0.66 C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
MCULE-2876144776 0.66 C12(CCC(C(C)(C)C1=C)C2)C(O)=O
MCULE-3524678284 0.66 C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
MCULE-5368790248 0.66 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-2232302900 0.66 C1(CC2CCC1C=C2)C(C)=O
MCULE-8675761077 0.66 [C@]12([H])[C@@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-9093112563 0.66 CC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-6153090139 0.66 C1C2CCC(CC2C=O)C=1
MCULE-4487348024 0.66 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
MCULE-4948873814 0.66 C1(CCCCC1=O)=CC(CCCC)CC
MCULE-2525177975 0.66 C1=CC2C3C4C(C(CO)C13)C=CC4C2CO
MCULE-1242105368 0.66 C1C[C@@]2([H])[C@H](C)CC[C@@](O)(C(C)C)[C@@]2([H])C=C1C
MCULE-8322152301 0.66 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
MCULE-2125200193 0.66 [C@@]12(C)CC[C@]3([C@]([H])([C@H](C(C)=C)CC3)[C@@]1([H])CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CC[C@@]21C)C)C(O)=O
MCULE-4945902509 0.66 O=C(C1CC2C(C2)C1)CC1CC=CCC1
MCULE-2354192149 0.66 O=C(C12CCCC1C2)CC1CC=CCC1
MCULE-5589267581 0.66 C1CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1O
MCULE-5575338469 0.66 C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
MCULE-5097841519 0.66 C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-7628079142 0.66 O=C(C1C2C1CCC2)CC1CC=CCC1
MCULE-2423386096 0.66 O=C(C1C2(CC2)C1)CC1CCCC=1
MCULE-6370581589 0.66 CC=CC(CC1C2C=CC(CC2)C1)=O
MCULE-5281461360 0.66 C1(=O)C=CCCCC1
MCULE-9982252588 0.66 O=C(O)[C@]12[C@]([C@]3(CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])[H])([H])[C@H](C(=C)C)CC2
MCULE-9605736984 0.66 C1CC23C=CC2(CCCC3)CC1=O
MCULE-8763282524 0.66 OC([C@@]12CC[C@@]3(C(O)=O)CCC(C(C)=C)C3[C@@]1([H])CCC1[C@@]2(C)CCC2[C@@]1(CC[C@H](O)C2(C)C)C)=O
MCULE-1897348776 0.66 O=C1C2CC=CCC2CC2CC=CCC21
MCULE-5466118884 0.66 C1C(CCCCC=1C)=O
MCULE-7081301004 0.66 OC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-7561172842 0.66 C1=CC2C3C4C(C(C(=O)C)C13)C=CC4C2C(=O)C
MCULE-6002311928 0.66 C[C@@H]([C@@H]1[C@]2(C)C(=C3[C@H](CC2)[C@]2(C)[C@H](C([C@@H](O)CC2)=C)CC3)CC1)CC[C@H](C(C)C)C
MCULE-5216294937 0.66 O=C1C(C2CCCCC=2)CCCC1
MCULE-7594121913 0.66 C1(CCCCC1=O)=CCCCCCC
MCULE-2871457061 0.66 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@@H]1O)(C)C)C(O)=O
MCULE-2275715129 0.66 C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-2632444883 0.66 C12[C@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-7421072365 0.66 C12C3C4C5C1C(C1C5C5C4C(CC5C1=O)C3=O)C=C2
MCULE-3492445798 0.66 C/C(/C)=C/CCC1C(O)CCCC1
MCULE-6145280739 0.66 OC1C(CC2CC=CC2)CCCCC1
MCULE-3939283530 0.66 CC1C(C=O)(CC2CC=CC2)CCC1
MCULE-3634019791 0.66 CC1CC(CC/C=C(\C)/C)C(O)CC1
MCULE-4533311081 0.66 CC1CC(CC/C=C(\C)/C)C(=O)CC1
MCULE-6877075574 0.66 CC1(CC(O)CC1)CC1CC=CC1
MCULE-9493184913 0.66 O=CC1(CC1)CC1CC=CC1
MCULE-8673056647 0.66 CC1C(=O)CCC1CC1CC=CC1
MCULE-1243509764 0.66 C/C(/C)=C/CCC1C(=O)CCCC1
MCULE-6625698081 0.66 CC1C(CC2CC=CC2)CCC1O
MCULE-1397001651 0.66 CC1CC(C=O)(CC2CC=CC2)CC1
MCULE-1670316367 0.66 C1(C)(C)C(CC=O)CC=C1C
MCULE-6675572295 0.66 C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
MCULE-1000113657 0.66 CC(C1(CC1)CC1CC=CC1)=O
MCULE-1988512755 0.66 C/C(/C)=C/CCC1C(O)(C)CCCC1
MCULE-6683714278 0.66 O=CC1(CCCCCC1)CC1CC=CC1
MCULE-8089081418 0.66 CC1(CC(=O)CC1)CC1CC=CC1
MCULE-6201470825 0.66 O=C1C(CC2CC=CC2)CCC1
MCULE-4157028706 0.66 O=C1C(CC2CC=CC2)CCCCC1
MolPort-006-668-579 0.66 CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
MolPort-046-509-005 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
MolPort-008-155-609 0.66 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
MolPort-002-529-268 0.66 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
MolPort-002-512-788 0.66 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
MolPort-046-594-247 0.66 CC1(C)CCC2(CCC3=C(CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O
MolPort-039-338-865 0.66 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-021-804-587 0.66 CC1CCC2(CCC3(C)C(=CCC4C5(C)C[C@@H](O)[C@@H](O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O
MolPort-006-668-670 0.66 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O
MolPort-039-338-120 0.66 C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-006-668-441 0.66 CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
MolPort-019-936-866 0.66 C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-019-936-771 0.66 C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
MolPort-001-740-910 0.66 CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
MolPort-002-524-912 0.66 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-006-126-442 0.66 COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-994-694 0.66 OC(=O)C1C(C2C=CC1C21CC1)C(O)=O
MolPort-005-944-635 0.66 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-046-765-489 0.66 CC[C@]12CC[C@@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@H]1CCC2(O)C#C
MolPort-005-944-289 0.66 CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
MolPort-001-741-316 0.66 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-046-693-022 0.66 CC[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-035-706-401 0.66 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-001-740-973 0.66 C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
MolPort-001-741-354 0.66 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-005-934-304 0.66 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-046-196-704 0.66 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-003-657-348 0.66 CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
MolPort-002-521-223 0.66 COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-447 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]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-028-610-006 0.66 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O
MolPort-002-511-796 0.66 COC(=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-755-245 0.66 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-044-755-253 0.66 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)CO
MolPort-046-158-545 0.66 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-000-207-694 0.66 COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-003-959-137 0.66 CC(=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C#N
MolPort-046-765-476 0.66 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
MolPort-046-158-410 0.66 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-002-506-884 0.66 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-002-506-876 0.66 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-001-742-450 0.66 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
MolPort-001-741-329 0.66 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-039-338-084 0.66 [Na+].[Na+].[O-]C(=O)C1C2CC(C=C2)C1C([O-])=O
MolPort-035-706-461 0.66 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-002-511-069 0.66 C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
MolPort-044-559-994 0.66 C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-006-113-596 0.66 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-044-649-592 0.66 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-044-649-704 0.66 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-001-741-276 0.66 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-023-330-852 0.66 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
MolPort-046-764-570 0.66 C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-000-823-748 0.66 COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-765-410 0.66 C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
MolPort-035-706-454 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)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-019-904-832 0.66 CC1CCC(=CC1)C(O)=O
MolPort-029-942-945 0.66 C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
MolPort-021-804-487 0.66 CCCCC\C=C/CC(C(O)CC(O)=O)C(O)=O
MolPort-039-060-935 0.66 CC1=C(CCC(C)(C)C1)C(O)=O
MolPort-001-741-862 0.66 CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
MolPort-004-801-991 0.66 CC1(C)CCC=C(C1)C(O)=O
MolPort-002-683-774 0.66 CC(C)=C1C2CC2C2C(C12)C(O)=O
MolPort-039-239-507 0.66 CC1(C)CCC(=CC1)C(O)=O
MolPort-044-183-058 0.66 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-009-018-907 0.66 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
MolPort-006-169-802 0.66 CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(O)=O
MolPort-003-666-529 0.66 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-028-599-903 0.66 C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
MolPort-009-019-253 0.66 CCCCC\C=C/CCCC\C=C/C\C=C/CCCC(O)=O
MolPort-009-019-273 0.66 CCCCC\C=C/C\C=C/CCCC\C=C/CCCC(O)=O
MolPort-042-624-120 0.66 CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-046-426-986 0.66 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-005-945-549 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-003-926-743 0.66 O=C1CCCCC=C1
MolPort-000-422-027 0.66 CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-000-722-317 0.66 CCCCCC\C=C1/CCCCC1=O
MolPort-002-524-807 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-001-739-625 0.66 CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO
MolPort-005-944-694 0.66 CC(=C)C1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-001-816-845 0.66 O=C1CCCCC1C1=CCCCC1
MolPort-046-509-060 0.66 CC1(C)CC[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]2C1
MolPort-001-817-194 0.66 CCCCC(CC)\C=C1/CCCCC1=O
MolPort-039-338-465 0.66 C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC=C1C
MolPort-002-929-501 0.66 C[C@]1(O)CCC[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-035-706-465 0.66 C[C@@H]1C[C@H](O)[C@]2(C)[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]2[C@H]1C
MolPort-035-706-202 0.66 CC(C)[C@]1(O)CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12
MolPort-019-997-682 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-035-706-321 0.66 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-035-706-408 0.66 CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-001-742-037 0.66 CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-046-683-597 0.66 CC(C)=C1CCC(C)(O)CC1.CC(=C)C1CCC(C)(O)CC1.CC1=CCC(CC1)C(C)(C)O
MolPort-023-276-984 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-035-706-405 0.66 CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-039-052-624 0.66 CC(=C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-035-706-404 0.66 CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-001-762-324 0.66 OCC1CC2CCC1C=C2
MolPort-035-882-175 0.66 CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-387 0.66 CC1(C)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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-021-804-489 0.66 CC12CCC(O)C(=C)C1CC(CC2)C(=C)C(O)=O
MolPort-039-052-535 0.66 CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@](C)(C=C)C=C3CC[C@@H]12
MolPort-001-740-747 0.66 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-002-507-656 0.66 OC1CCCCC1C1=CCCCC1
MolPort-039-052-495 0.66 CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-001-740-814 0.66 C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O
MolPort-039-033-337 0.66 CC(=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)C12)C(O)=O
MolPort-035-757-790 0.66 CC(=O)C1CC2CCC1C=C2
MolPort-035-706-217 0.66 C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(O)=O
MolPort-035-706-378 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-001-740-815 0.66 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O
MolPort-020-858-906 0.66 O=CC1=CCCCCC1
MolPort-020-173-637 0.66 CC1=CC2CC(C1)CC(=O)C2
MolPort-046-588-886 0.66 O=CC1(CCCCC1)C1=CCCCC1
MolPort-002-512-343 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-046-158-394 0.66 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12
MolPort-000-811-412 0.66 CCCCC(CC)\C=C1\CCCCC1=O
MolPort-003-939-279 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-046-156-410 0.66 CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-042-621-338 0.66 OC[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-000-421-911 0.66 CC1(C)C2CCC(C2)(C(O)=O)C1=C
MolPort-007-980-897 0.66 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-005-944-788 0.66 CC(=C)[C@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-042-620-890 0.66 O=C[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-044-651-729 0.66 O=CC1CC2CCC1C=C2
MolPort-003-930-815 0.66 OC(=O)CCCCC=C
MolPort-001-757-789 0.66 CC1=CCC(CC=O)C1(C)C
MolPort-046-761-951 0.66 C\C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-589-846 0.66 CCCCCCCC\C=C/CCCCO
MolPort-001-740-674 0.65 C[C@@]12CC[C@H](C[C@H]1[C@H](CCC1(O)[C@@H]3C[C@@H](CC[C@@]3(C)C=CC1=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O
MolPort-046-765-744 0.65 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(O)C(O)=O
MolPort-046-765-406 0.65 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)C(O)=O
MolPort-028-610-078 0.65 CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-023-274-403 0.65 CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C
MolPort-039-052-567 0.65 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-039-338-643 0.65 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-005-943-432 0.65 CC(=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-023-274-334 0.65 CCCCC\C=C/C(O)C(O)C(O)CCCCCCCC(O)=O
MolPort-035-784-535 0.65 CCOC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-001-739-551 0.65 CCCCC\C=C/C\C=C/C(O)CC(O)CCCCC(O)=O
MolPort-046-508-998 0.65 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
MolPort-001-742-388 0.65 CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
MolPort-039-337-800 0.65 CC\C=C\CC1C(CC(=O)OC)CCC1=O
MolPort-046-591-674 0.65 CCOC(=O)C1C2CC\C=C/CCC12
MolPort-046-590-621 0.65 CCOC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-006-109-342 0.65 CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O
MolPort-002-053-425 0.65 NC(CC(O)=O)C1CCC=CC1
MolPort-044-754-166 0.65 OC(=O)CCCCCCCCC\C=C\C(O)=O
MolPort-006-111-740 0.65 CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O
MolPort-003-927-207 0.65 OC(=O)CCCCCCCC\C=C\C(O)=O
MolPort-044-650-173 0.65 CCCCCCCCCCCCCC\C=C\CCCC(=O)OC
MolPort-044-754-165 0.65 OC(=O)CCCCCCCCCCC\C=C\C(O)=O
MolPort-039-139-043 0.65 CCCC\C=C\C=C\C=C/CCCCCCCC(O)=O
MolPort-019-937-247 0.65 CCCCCCCCCCCCC(O)\C=C\CCC(O)=O
MolPort-044-561-305 0.65 CCCCC\C=C/C=C/C=C\CCCCCCC(O)=O
MolPort-028-610-143 0.65 OC(=O)CCCCCC\C=C\C(O)=O
MolPort-023-313-258 0.65 CC1(C)CCC=C1C(O)=O
MolPort-009-018-817 0.65 OC(=O)CCCCCCCC\C=C/C(O)=O
MCULE-5532388657 0.65 CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
MCULE-4665716653 0.65 N(CC)(CC)CC.C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MCULE-4440606459 0.65 C1([H])(C(OC)=O)C2C3C4C1C=CC4C([H])(C(OC)=O)C3C=C2
MCULE-9405848361 0.65 C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2(O)C#C
MCULE-9685581403 0.65 C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(O)C#N)=CC(=O)C1
MCULE-6711156232 0.65 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MCULE-8721985369 0.65 OC(C1C2C(C(O)=O)C(C(O)=O)C(C=C2)C1C(O)=O)=O
MCULE-6242790082 0.65 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
MCULE-9892383905 0.65 [C@]12(CC)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(O)C#C)[H]
MCULE-5855122450 0.65 C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
MCULE-2846082692 0.65 C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
MCULE-6301437684 0.65 O=C1CCC2(C3CCC4(CC)C(O)(CCC4C3CCC2=C1)C#C)[H]
MCULE-6962013531 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(=O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
MCULE-2690578106 0.65 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#C)C)=O
MCULE-3025026991 0.65 C[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1[C@@H](CC3=C([C@H]1CC2)CCC(=O)C3)C
MCULE-5486393555 0.65 C(OC)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-1323295889 0.65 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-1916767135 0.65 O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-5791637196 0.65 C1CCC23CC12C(O)C=CC3=O
MCULE-7277661521 0.65 C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
MCULE-8982382729 0.65 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-3167433007 0.65 O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(C)=O
MCULE-2664519273 0.65 O=C1C(CC2C3C=CC(CC3)C2)COC1
MCULE-9808053205 0.65 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-6190050690 0.65 C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
MCULE-7311176198 0.65 C(=O)(O)CCCCCCCC(O)C(O)C(O)/C=C\CCCCC
MCULE-8629208814 0.65 O=CC1(CCOCC1)CC1CC=CCC1
MCULE-3465723245 0.65 [C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
MCULE-2519630522 0.65 C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
MCULE-4298708464 0.65 C(C(N)C1CCC=CC1)C(O)=O
MCULE-1479199763 0.65 C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
MCULE-2457325018 0.65 C1CC(CCCCC(OCC)=O)CCC=1C
MCULE-9190698368 0.65 O=C(CC1CCC(=O)C1CC=CCC)OC
MCULE-6829909415 0.65 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-2410702763 0.65 C(O)(=O)CCCCC(O)CC(/C=C\C/C=C\CCCCC)O
MCULE-5765051698 0.65 C(CCCC=CC(O)=O)CCCCC(O)=O
MCULE-1261827700 0.65 OC(=O)/C=C/CCCCCCCCCC(=O)O
MCULE-9564533694 0.65 OC(=O)/C=C/CCCCCCCCCCCC(=O)O
MCULE-6540475820 0.65 CC1(C(C(O)=O)=CCC1)C
MCULE-5737442401 0.65 OC(C(C#N)CC1CC=CC1)=O
MCULE-2021957290 0.65 C(C)CCCCCCCCCCC(O)/C=C/CCC(=O)O
MCULE-9014720947 0.65 OC(C12CCCCC1C2)C1CCCC=1
MCULE-2754957448 0.65 O=C(C1CCCC=1)C1C2C(C2)CCC1
MCULE-6708433496 0.65 C12CCC1C(=O)C=C2
MCULE-9185909244 0.65 C1(=O)C2C3CC(C=C3)C2C(C2C3C=CC(C3)C21)=O
MCULE-5865441641 0.65 O=C(C1CCCC=1)CC1CC2C(C2)CC1
MCULE-4080553011 0.65 C12([H])CCC1([H])C=CC2(O)[H]
MCULE-9998305986 0.65 CC(CC1(C(O)=O)CC=CC1)=C
MCULE-8316425336 0.65 O=C(C12CCCCC1C2)C1CCCC=1
MCULE-7221367574 0.65 O=C(C12CCCC1C2)C1CCCC=1
MCULE-8777632906 0.65 O=C(C1CCCC=1)CC1CC2C(C2)C1
MCULE-1020785874 0.65 O=C(C12CCCC1C2)C1CCCCCC=1
MCULE-2594150628 0.65 C12[C@H](CO)C(CC=1CC1(CC2(CO)CC(C1)(C)C)C)(C)C
MCULE-1943700997 0.65 OC(C12CCCC1C2)C1CCCC=1
MCULE-6563356566 0.65 OC(C1(C2CC2)CC=CC1)=O
MCULE-1373086617 0.65 O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-5300332080 0.65 O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-7541137822 0.65 O=C1C=C(C2(C)C(C)C(C)C12C)C
MCULE-5426201745 0.65 C1/C(=C/CC(=O)CO)/CCCCC1
MCULE-7458844213 0.65 O=C(C1CCCC=1)C1CC2C(C2)CC1
MCULE-5954084349 0.65 CC(C(CC1CC=CCC1)O)(O)C
MCULE-8699525142 0.65 C1(CCCCC1O)=CC(C)C
MCULE-8432152948 0.65 CC1(C(CC2CC=CCC2)=O)CC1
MCULE-1648678126 0.65 CC1C(C(CC2CC=CCC2)=O)C1
MCULE-3080370181 0.65 C1CC2(CC(=O)CC2(C)CC=1)C
MCULE-6078845553 0.65 CC1CC(C(CC2CC=CCC2)=O)C1
MCULE-7944143685 0.65 O=C(C1CC1)CC1CC=CCC1
MCULE-8211700424 0.65 C(O)(=O)C(C)(CCCC(C)=C)C=C
MCULE-9819044866 0.65 C1([C@H](C)CCC([C@@H](CC=CC(C)(C)C1)C)=O)=O
MCULE-4514313259 0.65 CCCCCCC(O)CC=CCCCCCCCCO
MCULE-5591347023 0.65 OC1(C2C(C2)CC1)CC1CC=CC1
MCULE-8357419701 0.65 O=C(C1C2C1CCC2)CC1CC=CC1
MCULE-5661083032 0.65 CC1C(C(CC2CC=CCC2)=O)CCC1
MCULE-5667364535 0.65 C(C=CC(O)CCCCC)(C)(C)C
MCULE-4014926214 0.65 CC1CC(C(CC2CC=CCC2)=O)CC1
MCULE-8650890619 0.65 CC1(C(C(CC2CC=CCC2)O)C1)C
MCULE-1842062313 0.65 CC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-5596219960 0.65 O=C(C1C2(CC2)C1)CC1CC=CCC1
MCULE-7994229276 0.65 O=C(C1CCC1)CC1CC=CCC1
MCULE-3657021044 0.65 O=C(C1C2C1CCCC2)CC1CC=CC1
MCULE-7487706695 0.65 CC1(C(C(CC2CC=CCC2)=O)C1)C
MCULE-9929984425 0.65 OCC1(C2C3CC(CC3)C2)CC=CC1
MCULE-4497275799 0.65 C1(CCCCC1=O)=CC(C)C
MCULE-4233503518 0.65 OC1(C2C(C2)CCC1)CC1CC=CC1
MCULE-3839963678 0.65 C(C)(CC(C)CC/C=C(\C)/C)=O
MCULE-5887388555 0.65 C(=C/CCC(C)CC(O)C)(/C)\C
MCULE-3410664208 0.65 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
MCULE-2444850987 0.65 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#N)C)=O
MCULE-9156628994 0.65 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
MCULE-5828095144 0.65 [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-5475119384 0.65 O=C1C=C2[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@](CC2)(O)C#C)(C)CC3)[H])(C)CC1
MCULE-5587193921 0.65 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
MCULE-9797468470 0.65 CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
MCULE-1283162506 0.65 CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
MCULE-5380264709 0.65 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
MCULE-5773937031 0.65 C12C3C=CC1C(C(OC)=O)(C)C1C=CC(C3(C(OC)=O)C)C12
MCULE-2278067941 0.65 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-6492075764 0.65 C1CC2(C(CC=1)(C(O)=O)CCCC2)CCC#N
MCULE-1505073195 0.65 C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
MCULE-7552770733 0.65 C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
MCULE-9871680934 0.65 C12(C)CC=C(C(=O)O)CCC1C(O)(C(O)(C)C)C(O)C2
MCULE-6560423282 0.65 [C@H]1(CC(CC[C@@H]1C(O)=O)=CC/C=C(/C)\C)C(O)=O
MCULE-4216254522 0.65 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#C)C)=O
MCULE-4509039878 0.65 CC12C(CC#N)(O)CCC1C1CCC3C(C)(C1CC2)CCC(=O)C=3
MCULE-5037820521 0.65 C1C(CC2(O)C=C(C3C21C(C)CC3)C(=O)O)(C)C
MCULE-7929024326 0.65 C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
MCULE-9075563464 0.65 O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
MCULE-9068467553 0.65 [C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
MCULE-8236621147 0.65 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-4110286960 0.65 [C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
MCULE-6471729935 0.65 C1CC2[C@@]3([H])CC[C@]4(C)[C@@](C#C)(O)CC[C@@]4([H])[C@]3([H])[C@H](C)CC=2CC1=O
MCULE-1831569032 0.65 C1(CC(CCC1C(O)=O)=CC/C=C(\C)/C)C(O)=O
MCULE-2208148247 0.65 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(O)C#N)C)=O
MolPort-019-990-215 0.65 CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-688-566 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-002-904-212 0.65 O=C1C2[C@H]3C[C@H](C=C3)C2C(=O)C2[C@H]3C[C@H](C=C3)C12
MolPort-003-892-348 0.65 CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-800-186 0.65 CC1(C)CC2=C([C@@H]1CO)C1(CO)CC(C)(C)CC(C)(C2)C1
MolPort-044-723-460 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MolPort-001-788-520 0.65 O=C1C2C3CC(C=C3)C2C(=O)C2C3CC(C=C3)C12
MolPort-002-507-663 0.65 CC(C)\C=C1\CCCCC1=O
MolPort-046-788-548 0.65 CC\C=C\CCCCCCCCCCC[C@@H](O)C[C@@H](O)CO
MolPort-042-622-821 0.65 O=C1CCC(CC1)=C1CCC1
MolPort-003-721-207 0.65 CC(=O)CCC1=C(C)CCCC1(C)C
MolPort-000-719-788 0.65 CC(C)\C=C1/CCCCC1=O
MolPort-029-870-265 0.65 OC(=O)CC1CC=CC1
MolPort-046-674-687 0.65 O=C1CC2CC=CCC2C1
MolPort-001-921-993 0.65 CC(C)\C=C1/CCCCC1O
MolPort-002-507-131 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-000-207-693 0.65 COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-507-150 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-046-765-289 0.65 [2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3CC[C@]12CC
MolPort-038-385-990 0.65 CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(O)=O
MolPort-046-690-081 0.65 C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-000-829-116 0.65 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#C
MolPort-046-596-331 0.65 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C2C1
MolPort-000-832-099 0.65 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
MolPort-002-728-977 0.65 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-046-690-660 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C
MolPort-002-510-453 0.65 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-002-514-753 0.65 COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-006-147-720 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C
MolPort-023-221-722 0.65 COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-525-704 0.65 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-000-830-394 0.65 C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CC[C@@]2(O)C#C
MolPort-002-512-104 0.65 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#N
MolPort-000-745-547 0.65 CC12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
MolPort-021-804-783 0.65 CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O
MolPort-046-765-464 0.65 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)C12
MolPort-002-527-360 0.65 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-002-509-542 0.65 C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
MolPort-002-911-093 0.65 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(O)C#C
MolPort-039-338-595 0.65 CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O
MolPort-035-706-434 0.65 C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
MolPort-046-418-348 0.65 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-003-849-619 0.65 [2H]C1=C2C([2H])([2H])CC3C4CC[C@@](O)(C#C)C4(C)CCC3C2([2H])CC([2H])([2H])C1=O
MolPort-002-521-717 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#N
MolPort-046-765-414 0.65 CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
MolPort-019-936-806 0.65 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-039-338-301 0.65 CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO
MolPort-005-933-833 0.65 CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-003-861-444 0.65 CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-003-850-554 0.65 C[C@@H]1CC2=C(CCC(=O)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12
MolPort-002-161-277 0.65 CC(C)=CC\C=C1/CCC(C(C1)C(O)=O)C(O)=O
MolPort-046-765-288 0.65 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
MolPort-046-765-484 0.65 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)[13C]#[13CH]
MolPort-030-042-339 0.65 CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C
MolPort-005-273-812 0.65 OC(=O)C1C2C=CC(C1C(O)=O)C(C2C(O)=O)C(O)=O
MolPort-046-153-168 0.65 CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-027-641-194 0.65 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]2(O)C#C
MolPort-046-426-723 0.65 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
MolPort-000-700-357 0.65 CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-042-675-450 0.65 CC(C)(O)C1(O)C(O)CC2(C)CC=C(CCC12)C(O)=O
MolPort-046-158-400 0.65 CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
MolPort-046-153-150 0.65 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
MolPort-046-764-443 0.65 CC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC=C34)[C@@H]1CC[C@@]2(O)C#C
MolPort-002-508-860 0.65 CC(C)=CC\C=C1/CC[C@@H]([C@@H](C1)C(O)=O)C(O)=O
MolPort-003-666-244 0.65 CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
MolPort-001-960-404 0.65 COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
MolPort-046-689-994 0.65 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-354-182 0.65 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)CC#N
MolPort-001-512-549 0.65 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N
MolPort-046-418-349 0.65 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-001-785-935 0.65 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#C
MolPort-007-980-886 0.65 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-035-706-451 0.65 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-001-960-400 0.65 COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
MolPort-002-134-098 0.64 CC1=CCC(C(C1)C(O)=O)C(O)=O
MolPort-027-640-932 0.64 CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-027-640-933 0.64 CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-046-774-240 0.64 OC(=O)C12CCC(C1)C=C2
MolPort-002-130-595 0.64 CC(C)C1=CCC(C(C1)C(O)=O)C(O)=O
MolPort-000-689-320 0.64 CC1=C(C)CC(C(C1)C(O)=O)C(O)=O
MolPort-009-018-933 0.64 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC
MolPort-003-925-045 0.64 CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC
MolPort-002-526-712 0.64 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2=CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-044-183-215 0.64 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC
MolPort-001-533-939 0.64 CC(C)=C1C2CCC1C(C2C(O)=O)C(O)=O
MolPort-044-183-055 0.64 [NaH].CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
MolPort-002-025-718 0.64 CC(=O)\C=C\C1C(C)(O)CCC2C(C)(C)CCCC12C
MolPort-046-790-431 0.64 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C=C1
MolPort-002-509-354 0.64 CC1=CC2C(CC1CO)C2(C)C
MolPort-020-005-960 0.64 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-001-742-316 0.64 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-039-138-803 0.64 OCC1C[C@@H]2C[C@H]1C=C2
MolPort-039-338-735 0.64 C[C@H]([C@H](O)CC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-002-513-687 0.64 CC1=C(CC2C(CCCC2(C)C)C1)C=O
MolPort-002-550-644 0.64 O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1
MolPort-046-156-337 0.64 C[C@@]1(O)CC[C@H]2[C@@H]3CCC4CC(=O)\C(C[C@]4(C)[C@H]3CC[C@]12C)=C/O
MolPort-001-742-556 0.64 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
MolPort-029-943-150 0.64 CC1=CCC2C(C)(CO)CCCC2(C)C1CO
MolPort-039-052-637 0.64 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@H]3O)C(O)=O
MolPort-027-835-542 0.64 C[C@]12CCC[C@](C)([C@@H]1CC[C@]13CC(=C)[C@@](O)(C1)CC[C@H]23)C(O)=O
MolPort-004-288-333 0.64 O=C1CC2CC=CC12
MolPort-002-538-677 0.64 O=C1C(CC2CCCC(C2=O)C2=CCCCC2)CCCC1C1=CCCCC1
MolPort-000-706-606 0.64 [Na+].CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-002-509-716 0.64 O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-019-937-461 0.64 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC4[C@@](C)(CCC5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-035-706-195 0.64 C[C@@H]1C[C@H](O)[C@@H]2[C@H](C3=C(C)CC[C@H]13)C2(C)C
MolPort-044-755-206 0.64 C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-039-338-304 0.64 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O
MolPort-035-706-402 0.64 CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-001-790-818 0.64 CCCCCC1=CCCC1=O
MolPort-001-741-356 0.64 CC(=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)C12)C(O)=O
MolPort-035-705-927 0.64 C\C(CC[C@H]1C(=C)CC[C@H]2[C@](C)(CCC[C@]12C)C=O)=C/CO
MolPort-013-791-457 0.64 O=C(C1CCCCC1)C1=CCCCC1
MolPort-039-338-114 0.64 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-035-706-376 0.64 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](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-001-740-287 0.64 C\C(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O)=C/CO
MolPort-001-793-711 0.64 CC(=O)C1C[C@@H]2C[C@H]1C=C2
MolPort-000-704-547 0.64 [K+].CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C([O-])=O
MolPort-000-832-089 0.64 OCC1CC2CC1C=C2
MolPort-006-830-022 0.64 C[C@]1(O)CCC2C3CC[C@H]4CC(=O)\C(C[C@]4(C)C3CC[C@]12C)=C\O
MolPort-046-691-388 0.64 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
MolPort-002-512-272 0.64 O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-035-706-319 0.64 CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
MolPort-002-507-754 0.64 CC(=O)C1CC2CC1C=C2
MolPort-002-525-668 0.64 [K+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-000-157-846 0.64 O=CC1CC2CC1C=C2
MolPort-046-153-069 0.64 C[C@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-038-386-697 0.64 CC1CCC(O)C2(C)CCC(C=C12)C(C)(C)O
MolPort-002-526-213 0.64 [Na+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-046-594-199 0.64 CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O
MolPort-046-691-387 0.64 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)CO
MolPort-046-647-352 0.64 OC[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-042-676-343 0.64 O=CC1CC2CC1C=C2
MolPort-042-694-227 0.64 [NaH].CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3CCC4CC(O)=CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-035-706-308 0.64 CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
MolPort-000-837-794 0.64 CCCCCCC1=CCCC1=O
MolPort-005-976-303 0.64 CC1(O)CCC2C3CCC4CC(=O)\C(CC4(C)C3CCC12C)=C\O
MolPort-039-052-525 0.64 CC(C)C1=CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2C1
MolPort-023-331-417 0.64 CCC12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O
MolPort-035-765-998 0.64 O=CC1C[C@@H]2C[C@H]1C=C2
MolPort-005-945-582 0.64 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@@]34C)C12)C(O)=O
MolPort-021-804-706 0.64 CC1(O)C(O)CCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-039-052-543 0.64 C[C@@]1(CC[C@H]2C(CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]23C)=C1)C=C
MolPort-002-130-829 0.64 OC1(CCCCC1)\C=C\C1(O)CCCCC1
MolPort-003-959-059 0.64 C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)\C(C[C@]4(C)[C@H]3CC[C@]12C)=C/O
MolPort-003-925-033 0.64 CCCCCC1=C(C)CCC1=O
MolPort-002-508-969 0.64 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CBr
MolPort-001-741-468 0.64 CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-035-706-310 0.64 CC1(C)C=C(CO)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-030-042-338 0.64 CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
MolPort-046-764-997 0.64 [2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])C(=O)[C@]21[2H]
MolPort-046-766-235 0.64 C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@@H]21)C=O
MolPort-002-328-797 0.64 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
MolPort-035-668-920 0.64 CC12CC(O)[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-764-827 0.64 [2H]C1=C[C@]2(C)[C@@H]3[C@@H](CCC2=C([2H])C1=O)[C@@H]1CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]1(C)C([2H])([2H])C3=O
MolPort-000-743-133 0.64 C[C@H]1CC2C3CC[C@](O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
MolPort-002-507-412 0.64 C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-761-478 0.64 [2H]C1([2H])[C@@]([2H])(O)[C@H]2[C@@H](C[C@H](C)C3=CC(=O)C=C[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-020-005-739 0.64 CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
MolPort-039-338-712 0.64 C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MolPort-035-924-389 0.64 CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
MolPort-002-507-147 0.64 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-766-227 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)CO
MolPort-039-338-639 0.64 C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
MolPort-001-832-305 0.64 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
MolPort-006-113-124 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)CO
MolPort-002-527-775 0.64 C[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)[C@@]1(O)C(=O)CO
MolPort-046-765-411 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H](O)C2(O)C#C
MolPort-046-690-441 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)CO
MolPort-001-740-041 0.64 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-528-554 0.64 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-000-730-361 0.64 CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
MolPort-009-198-792 0.64 C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-000-713-158 0.64 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
MolPort-039-338-222 0.64 C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
MolPort-039-338-087 0.64 CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-436 0.64 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)(C)C=C5CO)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-046-196-989 0.64 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MCULE-3724391729 0.64 C1(C(O)=O)CC(C)=C(CC1C(O)=O)C
MCULE-8684927566 0.64 O=CC1(CCOCC1)CC1CC=CC1
MCULE-2253127357 0.64 C1(CC(C)=CCC1C(O)=O)C(O)=O
MCULE-5213682431 0.64 C1(C(O)=O)CC(C(C)C)=CCC1C(O)=O
MCULE-8116500557 0.64 C1(C=O)C(=O)CC(CC=1O)(C)C
MCULE-8342191825 0.64 C1(=C(C)C)C2CCC1C(C2C(O)=O)C(O)=O
MCULE-5225411148 0.64 C12(C)CCCC(C)(C)C1CCC(C)(O)C2C=CC(C)=O
MCULE-2807643168 0.64 C1(C)CC(=O)C=C1CCCCC
MCULE-8091131175 0.64 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-].[K+]
MCULE-4387476121 0.64 C1C2CC=C(C)C(=O)C1C2(C)C
MCULE-8616711102 0.64 C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C=C3CC[C@@]2([H])[C@](C)(CO)[C@H]1O
MCULE-1119605098 0.64 OC(C1CCCC=1)C1CC2(CCC2)C1
MCULE-1025553559 0.64 C(C1=CCCC2(CCCCC2)C1)O
MCULE-9706743745 0.64 C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-6481056517 0.64 CC(C(C1CCCC=1)=O)C1CCC1
MCULE-2011218266 0.64 CC(C(C1CCCCCC=1)=O)C1CCC1
MCULE-6626480267 0.64 C1CC2C(O)C3CC=CCC3C(O)C2CC=1
MCULE-3719801152 0.64 [C@@H]1(O)C[C@@]2(C3CCC4C5[C@H](C(C)=C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CCC2C([C@H]1O)(C)C)C)C
MCULE-4778747911 0.64 C1C(O)C2(C)CCC(C(O)(C)C)C=C2C(C)C1
MCULE-3558747073 0.64 [C@]12(CC[C@]3([C@@](CC[C@@]4([H])[C@](C)(CO)[C@H](CC[C@]34C)O)([C@]1(C)CC[C@@]1(C(O)=O)CC[C@@H](C(C)=C)[C@@]12[H])C)[H])[H]
MCULE-4051240768 0.64 C12C3CCC(=O)C3(C)CCC=1C1C(C)(CC2)CC(=O)CC1
MCULE-6930955162 0.64 C1(CCCCC)C(=O)CCC=1C
MCULE-6973355480 0.64 C1C[C@](C)(C2[C@@](C)([C@@H](CC/C(=C/CO)/C)C(CC2)=C)C1)C=O
MCULE-7791473919 0.64 C(C1(CCCCC1)O)=CC1(CCCCC1)O
MCULE-4154375600 0.64 C12(C(CC=CC1)(CO)CCCC2)CO
MCULE-2458365976 0.64 C1CC2(C)CCC(C(=C)C(=O)O)CC2C(O)(C)C1O
MCULE-1578387226 0.64 O=C(C1CCCC=1)CC1CC=CC1
MCULE-6601187734 0.64 C1CC23CCC(=O)C2(CCCC3)CC=1
MCULE-1944708514 0.64 C12CC(C=C1)CC2C(C)=O
MCULE-8993173727 0.64 C1(C)(C)C(=O)C2([H])CC2([H])CC=C1
MCULE-6325460548 0.64 [C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1([H])CC[C@]1([C@@]3([H])CC[C@]1(C)O)C)CC(C(=CO)C2)=O
MCULE-6877512765 0.64 C12CC1C=CC([H])(O)C1CC12
MCULE-5160344949 0.64 O=C1C2C3C=CC(C3)C2C2C1C1CC2C=C1
MCULE-5658801482 0.64 C1=CC2CC(=O)C3C(=O)CC1C23
MCULE-2850571893 0.64 O=C(C1CCCCCC=1)C1C(C2CC2)C1
MCULE-3250846744 0.64 CC1CC(C(C2CCCC=2)O)C1
MCULE-6569170574 0.64 C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
MCULE-5102413219 0.64 O=C(C1CCCCCC=1)C1C2(CC2)C1
MCULE-6995939226 0.64 CC1CC(C(C2CCCCCC=2)O)C1
MCULE-6302987664 0.64 O=C(C1CCCC=1)C1C(C2CC2)C1
MCULE-2112175098 0.64 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
MCULE-6212623017 0.64 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O)C
MCULE-2643922279 0.64 C1(CCCCC)=CCCC1=O
MCULE-1233983645 0.64 CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
MCULE-9145826081 0.64 C1=CC2CC(O)C3C(C)(O)CC1C23
MCULE-7364976100 0.64 C1[C@@H](O)[C@]2(C)CC=C(C(C)C)C[C@@]2([H])[C@@](C)(O)C1
MCULE-4453341269 0.64 O=C1C2CC(C)=C(C)CC2C(C2CC(C)=C(C)CC21)=O
MCULE-5421418726 0.64 C1CC2CCCC=C2C(C)(C)C1=O
MCULE-6989137991 0.64 C1C(=O)CCC2([H])CC2([H])C=1
MCULE-8251326522 0.64 C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
MCULE-1912400907 0.64 C12C=C(C)C(CC1C2(C)C)C(C)=O
MCULE-3020807810 0.64 C1=CC2CC1C(C2)C=O
MCULE-1337085089 0.64 [C@]12(C)[C@@]([H])(CCC3C1CC[C@]1(C3CC[C@]1(C)O)C)CC(C(=CO)C2)=O
MCULE-8800846446 0.64 CC(C1C(C(C2CCCC=2)=O)C1)(C)C
MCULE-9111462538 0.64 O=C1C(C)(C)C2=CCCCC2(C)CC1
MCULE-2845490138 0.64 [C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
MCULE-3107036474 0.64 C1(O)C2C(O)CC3C2C(C=C3)C1
MCULE-9928521209 0.64 C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C=O)C1
MCULE-7695357226 0.64 O=C(C1CCCC=1)C1CC2(CCC2)C1
MCULE-8722569228 0.64 C1CC2(C)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-9003092096 0.64 [Na+].C12(CCC(C(C)(C)C1=C)C2)C(=O)[O-]
MCULE-6661177248 0.64 CC1CC(C(C2CCCCCC=2)=O)C1
MCULE-7495390356 0.64 C1(=O)C(CCCC1C1CCCCC=1)CC1CCCC(C2CCCCC=2)C1=O
MCULE-5848120811 0.64 C1(=C)C2CCC1CC(C(O)=O)C2
MCULE-7760721294 0.64 C1CC2(CCCCC2(CO)C(C)C=1)CO
MCULE-3422795055 0.64 C1C2CCC(=O)CC=C2C1
MCULE-6339641467 0.64 C12(C)C(CCC3C1CCC1(C3CCC1(C)O)C)CC(C(=CO)C2)=O
MCULE-7446284675 0.64 C1=CC2CCC1C(CO)C2CO
MCULE-4005939250 0.64 C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-1784949358 0.64 OC(C1CCCC=1)C1C(C2CC2)C1
MCULE-3735012527 0.64 C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
MCULE-6275089676 0.64 CC(C1C(C(C2CCCC=2)O)C1)(C)C
MCULE-1287633510 0.64 C1(CCCCCC)=CCCC1=O
MCULE-4785640334 0.64 CC1CC(C(C2CCCC=2)=O)C1
MCULE-7230877379 0.64 O=C1CCC(C2CC=CCC21)=O
MCULE-4900399116 0.64 C1CC2C(=O)C3CC=CCC3C(=O)C2CC=1
MCULE-8226891771 0.64 CC(C1(C(C2CCCCCC=2)=O)CC1)C
MCULE-8972335438 0.64 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-5376882383 0.64 C[C@@H]1C2=CC(C=C[C@]2(C)[C@@H]2[C@H]([C@H]3[C@](C)(C[C@@H]2O)[C@@](O)(C(CO)=O)CC3)C1)=O
MCULE-2603291254 0.64 [C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-4625091681 0.64 C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
MCULE-8934838036 0.64 C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
MCULE-6086039312 0.64 O=C1C2(O)C(C)(CCC(O)C2)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2=C1)[H]
MCULE-7939545317 0.64 O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
MCULE-4729751323 0.64 C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
MCULE-4227913812 0.64 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CBr)=O
MCULE-3331110138 0.64 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
MCULE-7541730655 0.64 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-9427838644 0.64 C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(CO)=O
MCULE-4494327817 0.64 C1(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)C(C)CC4C3CCC2=C1
MCULE-5764697777 0.64 C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
MCULE-6519818800 0.64 [C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
MCULE-2417213379 0.64 CC1(C(C(CC2CC=CC2)=O)CCC1)C
MCULE-5407375446 0.64 CC(C1CCCC1)(CC1CC=CC1)O
MCULE-1889985819 0.64 C/C(/C)=C/C(CC1CCCCC1)(O)C
MCULE-7311518942 0.64 CC=CC(CC1C2CCC(CC2)C1)=O
MCULE-6326954661 0.64 C1(/CCC(CC/1=O)([H])C)=C(\C)/C
MCULE-1921650357 0.64 C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
MCULE-8388310463 0.64 CC1C(C(CC2CC=CC2)=O)CCC1
MCULE-3385582028 0.64 C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
MCULE-7703110506 0.64 CC1CC(C(CC2CC=CC2)=O)CC1
MCULE-2532107825 0.64 C/C(/C)=C/CCC1(CCCCC1)O
MCULE-1706558387 0.64 CC1(C(CC2CC=CC2)(O)CCC1)C
MCULE-7265382444 0.64 CCC1C(CC2CC=CC2)(O)CCC1
MCULE-4794081286 0.64 OC1(CCCCCC1)CC1CC=CC1
MCULE-6376135384 0.64 C1(/CCC(CC/1)(C)O)=C(\C)/C
MCULE-6288478354 0.64 C1C[C@@]2(C)CC/C(=C(\C)/C)/C[C@]2([H])[C@@](C)(O)C1
MCULE-1433114220 0.64 O=C(C1CC2(CCC2)C1)CC1CC=CC1
MCULE-9313043371 0.64 CCC1CC(CC2CC=CC2)(O)CC1
MCULE-8303528132 0.64 CC1(C(CC2CC=CC2)=O)CCCC1
MCULE-2361055754 0.64 O=C(C1CCCCCC1)CC1CC=CC1
MCULE-9057383269 0.64 CC(C(CC1CC=CC1)O)(O)C
MCULE-7561786019 0.64 CC1C(C(CC2CC=CC2)O)CCC1
MCULE-1413268524 0.64 CC1C(CC2CC=CC2)(O)CCC1
MCULE-3304428106 0.64 CC1CCC(CC/C=C(\C)/C)(O)CC1
MCULE-8065006413 0.64 CC1C(CC/C=C(\C)/C)(O)CCCC1
MCULE-9677910881 0.64 CC1CC(CC/C=C(\C)/C)(O)CCC1
MCULE-3057400120 0.64 C/C(/C)=C/C(CC1C2CCC(CC2)C1)=O
MCULE-1608951387 0.64 C(=C/CC)/CC(/C=C/C(O)C(O)CCCCCCCC(=O)O)O
MCULE-2236994087 0.64 C1(CCC(CC=1)C(C)=C)C(O)=O
MCULE-9742304708 0.64 C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
MCULE-2460476091 0.64 C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
MCULE-1585586063 0.64 C12C(CCC(=O)C=1)CC(C(O)=O)C2
MCULE-4622236046 0.64 O=C(C1CCOCC1)CC1CC=CCC1
MCULE-5258251736 0.64 C(O)(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O
MCULE-8431742814 0.64 O=C1C(C)CC(C)C(O)=C1
MolPort-006-111-949 0.64 CC(C)=C1CCC(C)(O)CC1
MolPort-039-337-367 0.64 C\C=C\C(O)C1CCCCC1
MolPort-001-766-015 0.64 CC1CCC(=C(C)C)C(=O)C1
MolPort-002-506-978 0.64 CC1CCC2C(C)(C)CCCC2(C)C1CC\C(C)=C/CCC(C)=O
MolPort-035-706-223 0.64 CC(C)=C1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1
MolPort-001-793-332 0.64 C[C@@H]1CCC(=C(C)C)C(=O)C1
MolPort-046-793-307 0.64 CC(CCO)CC\C=C(/C)CCC=C(C)C
MolPort-006-170-502 0.64 N[C@@H]1CC\C=C/CC[C@@H]1C(O)=O
MolPort-046-683-050 0.64 N[C@H]1CC\C=C/CC[C@H]1C(O)=O.N[C@@H]1CC\C=C/CC[C@@H]1C(O)=O
MolPort-035-706-111 0.64 CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
MolPort-035-706-169 0.64 CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
MolPort-019-937-276 0.64 CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
MolPort-002-508-355 0.64 CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
MolPort-001-740-031 0.64 CC\C=C/CC(O)\C=C\C(O)C(O)CCCCCCCC(O)=O
MolPort-009-018-338 0.64 CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1C(O)CC(=O)C1C\C=C/CCCC(O)=O
MolPort-006-118-915 0.64 CCCCNCCCC.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-006-118-969 0.64 CC(=C)C1CCC(=CC1)C(O)=O
MolPort-001-740-962 0.64 CCC(O)C(O)\C=C/C\C=C/CCCCCCCCC(O)=O
MolPort-035-706-266 0.64 C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-035-706-267 0.64 C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-002-857-394 0.64 CCCCCCCCCCCCC\C=C\CC(CC(O)=O)C(O)=O
MolPort-001-791-998 0.64 OC(=O)C1=CCCCC1
MolPort-038-386-585 0.64 OC(CCCCCCCC(O)=O)\C=C\C(O)=O
MolPort-002-510-148 0.63 CC1(C)CCC2=C1CCC1C2CCC2C[C@@]3(CO3)CC[C@]12C
MolPort-002-279-706 0.63 O=C1C2C3C=CC(C2C(=O)C2C4C=CC(C12)C41CC1)C31CC1
MolPort-044-723-195 0.63 C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-002-525-832 0.63 CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-046-158-402 0.63 CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
MolPort-035-705-880 0.63 CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
MolPort-023-279-066 0.63 COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MolPort-039-338-104 0.63 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-039-338-961 0.63 C[C@H](CC(O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
MolPort-035-705-838 0.63 CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
MolPort-044-755-231 0.63 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
MolPort-005-945-088 0.63 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
MolPort-035-706-216 0.63 COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
MolPort-039-338-124 0.63 C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
MolPort-028-754-123 0.63 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-001-011-949 0.63 CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-000-733-209 0.63 CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-005-943-996 0.63 C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
MolPort-001-995-568 0.63 CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
MolPort-002-130-411 0.63 CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-039-338-612 0.63 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-009-015-247 0.63 CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-046-790-470 0.63 C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
MolPort-035-706-392 0.63 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-035-706-457 0.63 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-039-338-547 0.63 CC(C)=C1C[C@H]2C(CC[C@]2(C)O)=C(C)CC1=O
MolPort-039-052-452 0.63 C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
MolPort-006-123-991 0.63 CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1
MolPort-002-042-108 0.63 CC1=CCC(CC1)C(C)(C)O
MolPort-002-025-510 0.63 CC1(C)CC2C1CCC(=C)C(O)CCC2=O
MolPort-028-603-498 0.63 CC(C)C\C=C1\CCCCC1=O
MolPort-046-764-422 0.63 [2H]C([2H])([2H])C(O)(CCC=C(C)C)[C@H]1CCC(C)=CC1.[2H]C([2H])([2H])C(O)(CCC=C(C)C)[C@@H]1CCC(C)=CC1
MolPort-027-641-310 0.63 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCO
MolPort-021-804-772 0.63 OC(=O)CCC(CCCCCCCCC=C)C(O)=O
MolPort-042-620-773 0.63 CC(=O)C1CCC(C)=C(C)C1
MolPort-020-015-946 0.63 CC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1
MolPort-001-956-819 0.63 CC1C=C(C)CCC1C=O
MolPort-001-895-260 0.63 CC1CC2=C(CC1CO)C(C)(C)CCC2
MolPort-003-895-994 0.63 CC(=O)C1CCC(C)=CC1
MolPort-008-348-849 0.63 CC(C)C\C=C1/CCCCC1=O
MolPort-002-507-398 0.63 CCC(=O)C1CC(CC=C1C)C(C)C
MolPort-000-745-819 0.63 CC1CC(C)=CC(C)C1C=O
MolPort-001-790-179 0.63 CC1=CCCC(C)(C)C1C=O
MolPort-000-729-513 0.63 CC1CC2=C(CC1C=O)C(C)(C)CCC2
MolPort-001-794-307 0.63 CC1=C(CC=O)C(C)(C)CCC1
MolPort-003-932-718 0.63 CC1=CC[C@H](CC1)C(C)(C)O
MolPort-004-964-558 0.63 CC\C=C/C\C=C/C\C=C/CCCCCCCCO
MolPort-035-830-820 0.63 OC1CCCCCC=C1
MolPort-002-559-654 0.63 CC1CC(C)=CC(C)[C@@H]1C=O
MolPort-002-537-209 0.63 CC(=O)C1=C/CCCCCCCCCC\1
MolPort-039-242-524 0.63 CC1=C(C)CC(CC1)C(C)(C)O
MolPort-035-706-243 0.63 CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
MolPort-003-939-209 0.63 CC1=CC[C@@H](CC1)C(C)(C)O
MolPort-002-534-147 0.63 CC(C)=CCCC(C)(O)C1CCC(C)=CC1
MolPort-027-845-391 0.63 CC1CCC=C(C)C1C=O
MolPort-044-831-889 0.63 OC(=O)C1(CCC1)C1(CCC1)C=C
MolPort-004-769-150 0.63 OC(=O)C1(CC=C)CCCC1
MolPort-002-506-991 0.63 CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2
MolPort-005-944-220 0.63 OC(=O)CCC(CCCCCCC=C)C(O)=O
MolPort-028-747-769 0.63 CCCCCC=CCC=CCCCCCCCCO
MolPort-016-579-165 0.63 O=C\C1=C\CCCCCC1
MolPort-006-111-517 0.63 CCCCC\C=C/C\C=C/CCCCCCCCO
MolPort-039-052-429 0.63 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC\C([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(/C)C(O)=O
MolPort-002-549-690 0.63 [Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
MolPort-039-338-206 0.63 C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MCULE-2870645391 0.63 C12(C3C4C5C1C=CC5C2(CO)C4C=C3)CO
MCULE-6567295142 0.63 C1=CC2C3C4C5C6(C(O)CC5C5CC(O)C26C54)C13
MCULE-6837855043 0.63 C12(C(C)=O)C3C4C5C(C1(C(C)=O)C4C=C3)C=CC25
MCULE-8706542409 0.63 C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-4436654330 0.63 C1=CC2C3CC3C1C(CO)C2CO
MCULE-2123440957 0.63 CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-7821346211 0.63 C123C4C5C6C(C1(C(=O)CCC2=O)C5C=C4)C=CC36
MCULE-6135208734 0.63 CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MCULE-3857929176 0.63 O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MCULE-6534635803 0.63 C12(CC1)C1C=CC2C2C1C(=O)C1C(C2=O)C2C3(CC3)C1C=C2
MCULE-4894937500 0.63 [H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
MCULE-7442709707 0.63 C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
MCULE-9612148440 0.63 O=C1C(CC2CC=CCC2)COC1
MCULE-7150467746 0.63 O=C(C1CCCC=1)C1C2(CCOCC2)C1
MCULE-8942246758 0.63 C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
MCULE-6478033386 0.63 [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-9777116319 0.63 C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
MCULE-3077397941 0.63 C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-6355846723 0.63 C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
MCULE-7420090326 0.63 C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-6934036262 0.63 C1(C(CCCC(C2C(=O)CC(CC2=O)(C)C)C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-7100298727 0.63 COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-6809736977 0.63 COC(C1C2C=CC(CC2)C1)=O
MCULE-8322667113 0.63 C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-4351701102 0.63 C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
MCULE-3490442378 0.63 C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
MCULE-1643283288 0.63 C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
MCULE-7903507006 0.63 C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-3773650223 0.63 C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MCULE-7641008425 0.63 CC1C(CC2CC=CCC2)C(=O)CO1
MCULE-3433190262 0.63 C1(CCCCCCCCCCC=1)C(C)=O
MCULE-9444397237 0.63 C1CCC(=O)C=CCCC1
MCULE-4428185983 0.63 C1(CCCCC1=O)=CCC(C)C
MCULE-4540266032 0.63 C(O)(=O)CC1CCCC1C=C
MCULE-3149377803 0.63 C1CC(CCC=1C)C(C)=O
MCULE-6240066964 0.63 C1C(C)=CC[C@H](C(O)(C)C)C1
MCULE-4834546197 0.63 C1=C(C)CCC(C=O)C1C
MCULE-3035020921 0.63 C1CCCCC=C(C=O)C1
MCULE-1085878457 0.63 C12CCCCC=1C(C(O)C2C)C
MCULE-9174314602 0.63 C1C[C@H](CCC=1C)[C@](C)(CC/C=C(\C)/C)O
MCULE-9426101692 0.63 OC(C1CC=CCC1)CC1CC=CC1
MCULE-5676927364 0.63 C(=O)(CC(C)C)C1CCCC=1
MCULE-6881426714 0.63 O=C1CCCCC1=CCCCC
MCULE-7389041577 0.63 CC1=C(CC=O)C(C)(C)CCC1
MCULE-9798755896 0.63 C1CC(CCC=1C)C(C)(C)O
MCULE-7846055076 0.63 C1C[C@@]([H])(CCC=1C)[C@@](C)(CC/C=C(/C)\C)O
MCULE-4098753787 0.63 C12C(=O)CCC(C(=C)CCC1C(C)(C)C2)O
MCULE-8489443115 0.63 C12CC1(C)C(=O)CC(C)(C)C=C2
MCULE-7281525757 0.63 C1(C)(C)C(CCC1=C)CC(O)=O
MCULE-2137893098 0.63 C12C(C)(C)CCCC=1CC(C)C(C)(C(C)=O)C2
MCULE-1327121373 0.63 CC(CC1(C(O)=O)CC2(CCC2)C1)=C
MCULE-3206249578 0.63 C1CC(CCC=1C)C(C)(CC/C=C(\C)/C)O
MCULE-8948864854 0.63 C(O)(C)(C)[C@H]1CC=C(C)CC1
MCULE-2325358551 0.63 C1(C(CC)=O)C(C)=CCC(C(C)C)C1
MCULE-6735391183 0.63 C12C(C)(C)CCCC=1CC(C)C(C=O)C2
MCULE-6347475200 0.63 C(CCCCCC)(C1C=CCCC1)O
MCULE-9761993676 0.63 C1=C(C)CC([C@@H](C=O)C1C)C
MCULE-2588670002 0.63 C1(CCCC=1)C(CCC)=O
MCULE-5040560976 0.63 O=C1C(=CC(CC)CC)CCCC1
MCULE-6184897823 0.63 C(O)(C)(C)[C@@H]1CC=C(C)CC1
MCULE-8414811975 0.63 CC(C)([C@H]1CCC(C)=CC1)O
MCULE-4617598220 0.63 CC(C1(C(O)=O)CC2(CCC2)C1)C=C
MCULE-3433336466 0.63 C1=C(C)CC(C(C=O)C1C)C
MCULE-7044206712 0.63 C1(C(O)C)C(C)=CCCC1
MCULE-5486459234 0.63 OC(C1(CC2(CCC2)C1)CC=C)=O
MCULE-5354591097 0.63 C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1
MCULE-3985606919 0.63 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
MCULE-1872459490 0.63 C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
MCULE-2589305143 0.63 CC1C(=O)CCC1CC/C=C(\C)/C
MCULE-1810658219 0.63 C/C(/C)=C/CCC1(CC(=O)CC1)C
MCULE-3444922346 0.63 C/C(/C)=C/CCC1(CC(O)CC1)C
MCULE-8631883359 0.63 CC(C(CC1CC=CC1)=O)(C)C
MCULE-3732793313 0.63 C/C(/C)=C/CCC1CC(O)CC1
MCULE-4311460031 0.63 CC(C(CC1CC=CC1)O)C
MCULE-5058412241 0.63 CC(C(CC1CC=CC1)(O)C)(C)C
MCULE-2246342919 0.63 C/C(/C)=C/CCC1CC(O)CCCC1
MCULE-4520792651 0.63 CC(C(CC1CC=CC1)O)(C)C
MCULE-1607606730 0.63 CC1C(CC/C=C(\C)/C)CCC1O
MCULE-7547377444 0.63 [C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
MCULE-8239765173 0.63 [C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MCULE-3987885076 0.63 C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-1782460700 0.63 CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
MCULE-1658645050 0.63 C1CC2=CC([C@](O)(C[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)=O
MCULE-2488392484 0.63 [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-6566332427 0.63 C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-5208181398 0.63 C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
MolPort-046-702-738 0.63 C\C=C(/C)CCCC(C)(C)O
MolPort-022-365-293 0.63 CC1CCC(=C1)C(O)=O
MolPort-009-019-192 0.63 CCCCC\C=C/C\C=C/CC\C=C/CCCC(O)=O
MolPort-028-610-018 0.63 CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
MolPort-002-508-612 0.63 C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-019-999-009 0.63 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-002-507-453 0.63 CC(=O)[C@@]1(O)C(Br)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-002-530-021 0.63 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-046-596-375 0.63 C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-001-740-023 0.63 C[C@H]1[C@H](O)CCC2=CC(=O)[C@](O)(C[C@]12C)C(C)=C
MolPort-046-766-230 0.63 C[C@]12C[C@@H](O)[C@@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@H]1CC[C@@]2(O)C(=O)CO
MolPort-046-764-998 0.63 C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-596-271 0.63 CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
MolPort-000-208-077 0.63 CC(=O)[C@@]1(O)CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-520-650 0.63 CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
MolPort-002-506-965 0.63 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-006-167-524 0.63 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-765-572 0.63 C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)CC(=O)[C@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-003-941-707 0.63 C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-765-574 0.63 C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-690-013 0.63 [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@@H](O)C3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-046-702-539 0.63 C[C@]12C[C@H](O)[C@H]3[C@@H](CC(O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-354-428 0.63 CC(=O)C1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-001-840-675 0.63 CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
MolPort-002-510-852 0.63 CC(=O)[C@@]1(O)C(Br)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-689-244 0.63 C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-002-530-568 0.63 CC[C@@H](\C=C\[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)C(C)C
MolPort-046-196-386 0.63 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-044-830-320 0.63 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-755-201 0.63 C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
MolPort-044-754-061 0.63 CC[C@@H](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)C(C)=C
MolPort-000-697-037 0.63 CC(C)CCCC(C)C1CC[C@H]2C3CC=C4CC(O)CCC4(C)[C@H]3CCC12C
MolPort-044-830-522 0.63 C\C=C(/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)C(C)C
MolPort-039-338-303 0.63 C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-044-727-592 0.63 [2H]C([2H])([2H])C(O)(CCC[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)C([2H])([2H])[2H]
MolPort-044-183-360 0.63 CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-001-740-402 0.63 CC\C=C/CC(O)C(O)\C=C\C(O)CCCCCCCC(O)=O
MolPort-045-971-977 0.63 CC1(C)C2CC=C(CO)CC12
MolPort-046-033-528 0.63 CC[C@@H](\C=C\[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)C(C)C
MolPort-046-067-628 0.63 O[C@H]1C2CCC[C@H]1C1=C(CCCC1)C2
MolPort-046-067-683 0.63 O=C1C2CCC[C@H]1C1=C(CCCC1)C2
MolPort-000-252-835 0.63 CC1(C)C(=C)C2CCC1(C2)C(O)=O
MolPort-046-793-308 0.63 CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
MolPort-039-138-833 0.63 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO
MolPort-039-052-668 0.63 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-153-723 0.63 CC1(C)[C@@H]2CCC(CO)=C[C@H]12
MolPort-039-052-643 0.63 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-153-784 0.63 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
MolPort-046-764-702 0.63 C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]3CC[C@H](O)C3CC[C@@H]21
MolPort-046-764-598 0.63 [2H]C([2H])(CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])(O)C([2H])(C)C
MolPort-046-790-506 0.63 CC(=O)CCC[C@]1(C)CC[C@H](CC1=O)C(=C)C(O)=O
MolPort-046-764-571 0.63 C[C@@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-044-183-363 0.63 CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
MolPort-044-183-267 0.63 C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-183-187 0.63 [2H]C([2H])([2H])C(O)(CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-183-170 0.63 CC(C)[C@H](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-002-525-884 0.63 C[C@]1(O)CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-426-779 0.63 [2H]C([2H])([2H])C(CCC[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)C([2H])([2H])[2H]
MolPort-044-560-209 0.63 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-561-383 0.63 CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-042-624-515 0.63 C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-561-392 0.63 CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-039-339-159 0.63 CC(CO)CCC[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-001-535-945 0.63 CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-508-800 0.63 O=C1CC2(CCCC2)C=C1
MolPort-046-509-819 0.63 O=C1CC=CCC11CCCCC1
MolPort-044-561-394 0.63 CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
MolPort-044-561-662 0.63 CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-039-338-727 0.63 C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
MolPort-044-561-663 0.63 CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-046-764-597 0.63 [2H]C([2H])([2H])C([2H])(C(C)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)C([2H])([2H])[2H]
MolPort-046-509-053 0.63 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)C[C@@H]1O
MolPort-044-562-009 0.63 CC(C)[C@@H](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-002-524-763 0.63 CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-002-511-291 0.63 CC(C)C1CC(=O)C=C2CCCCC12
MolPort-039-338-463 0.63 C[C@H]1[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)C[C@H](O)[C@@]2(C)CCC1=C
MolPort-046-418-687 0.63 CC(C)C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-183-353 0.63 CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-044-183-372 0.63 [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-003-941-119 0.63 C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-038-386-640 0.63 CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
MolPort-046-687-433 0.63 CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]12
MolPort-006-118-882 0.63 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-006-124-971 0.63 CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-127-334 0.63 CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-006-169-892 0.63 CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-169-893 0.63 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-926-713 0.63 OCC1(CO)CC2CC1C=C2
MolPort-006-393-281 0.63 [2H]C([2H])([2H])C([2H])(CCC[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)C([2H])([2H])[2H]
MolPort-006-394-722 0.63 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-006-666-182 0.63 CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
MolPort-046-690-010 0.63 CC(C)CCCC(C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-892-585 0.63 CCC(\C=C\C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
MolPort-009-018-291 0.63 CCCCCC(O)\C=C\[C@@H]1C(CCCCCCCO)C(O)CC1=O
MolPort-046-689-497 0.63 C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-405 0.63 [2H]C([2H])([2H])C(=CCC[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)C([2H])([2H])[2H]
MolPort-002-799-485 0.63 CC1(C)CCC[C@]2(C)[C@H](O)C=CC[C@@H]12
MolPort-046-689-114 0.63 [2H]C([2H])([2H])C([2H])(C)CCC[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-009-199-159 0.63 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-054-309 0.63 Cl.N[C@H]1CC\C=C/CC[C@H]1C(O)=O
MolPort-002-054-310 0.63 Cl.N[C@@H]1CC\C=C/CC[C@@H]1C(O)=O
MolPort-006-115-611 0.63 CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-003-941-744 0.63 CC(C)CC[C@@H](O)[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-003-941-681 0.63 CC(C)CC[C@H](O)[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-003-941-696 0.63 CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-888 0.63 C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-940-820 0.63 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-940-755 0.63 CC(C)[C@@H](C)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-002-506-911 0.63 CC(C)CCC[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-046-702-733 0.63 CCCC[Sn++]CCCC.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-046-693-545 0.63 [2H]C([2H])([2H])C([2H])(C(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)C([2H])([2H])[2H]
MolPort-006-111-384 0.63 CC(C)[C@H](C)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-003-959-446 0.63 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
MolPort-004-956-055 0.63 CC[C@H](\C=C\[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)C(C)C
MolPort-005-938-581 0.63 CCC(\C=C\C(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-005-945-548 0.63 CC(=C)C1CCC2(CCC3(C(CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C12)C(O)=O)C(O)=O
MolPort-003-934-737 0.63 [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1)[C@H](C)CCCC(C)C
MolPort-046-703-371 0.63 CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-006-069-169 0.63 C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-850-254 0.63 [2H]C([2H])([2H])C([2H])(C(CC)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)C([2H])([2H])[2H]
MolPort-046-761-538 0.63 [2H]C([2H])([2H])C([2H])(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)C([2H])([2H])[2H]
MolPort-001-790-211 0.63 O=C1CCC2CCCCC2=C1
MolPort-046-762-692 0.63 CC(C)[C@H](C)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-003-664-628 0.63 OCC1C2CC(C=C2)C1CO
MolPort-046-674-170 0.63 O=C1CC2(CCC2)C=C1
MolPort-002-508-961 0.63 CC(=O)CCC1=C(C)CCC1C(C)=C
MolPort-046-647-234 0.63 O=C1C2CCCC1C=CC2
MolPort-002-506-883 0.63 CC[C@@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-046-773-764 0.63 [2H]C([2H])([2H])C(CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-646-770 0.63 O=C1CC2(CCCCCC2)C=C1
MolPort-046-762-734 0.63 CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-027-640-632 0.63 CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-328 0.63 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]21C
MolPort-035-706-329 0.63 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@@]21C
MolPort-035-706-344 0.63 C[C@H](\C=C\CC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-035-706-375 0.63 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O
MolPort-002-801-701 0.63 COC(=O)C1C(=O)C(C(=O)OC)C23CC\C=C/CCC12C(C(=O)OC)C(=O)C3C(=O)OC
MolPort-001-741-019 0.63 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@@]34C)C(O)=O)C12)C(O)=O
MolPort-035-882-121 0.63 CC(C)[C@@H](C)\C=C\[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-001-742-476 0.63 CC[C@H](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)C(C)C
MolPort-028-754-122 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](O)[C@@]4(C)C(O)=O
MolPort-021-804-488 0.63 CC12CCC(CC1C(=C)CC(O)C2)C(=C)C(O)=O
MolPort-001-785-933 0.63 CC1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-023-220-687 0.63 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-020-173-604 0.63 O=C1CCC2(CCCCC2)C=C1
MolPort-046-682-865 0.63 CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-783-805 0.63 CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
MolPort-046-793-309 0.63 CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
MolPort-022-257-993 0.63 O=C1CC2CCCCCC2=C1
MolPort-023-331-232 0.63 C\C=C(\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)C(C)C
MolPort-005-945-729 0.62 CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O
MolPort-005-944-603 0.62 CCCCCC\C=C/C=C/C(O)CCCCCCC(O)=O
MolPort-039-338-593 0.62 CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1=O
MolPort-044-561-076 0.62 CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O
MolPort-001-740-393 0.62 CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O
MolPort-006-668-454 0.62 CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O
MolPort-046-788-529 0.62 CC(=O)\C=C\C=C\CCCCCCC(O)=O
MolPort-035-706-357 0.62 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-044-195-003 0.62 O[C@H]1CCC\C=C/CC1
MolPort-002-525-771 0.62 CC(O)CC\C=C(/C)CC[C@@H]1C(=C)CCC2C(C)(C)CCC[C@@]12C
MolPort-004-748-423 0.62 CC(C)=CC(=O)C1CCC(=O)CC1
MolPort-022-365-475 0.62 C\C=C\CCCC(O)=O
MolPort-000-738-187 0.62 CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C
MolPort-028-750-814 0.62 OC1CCCC=CCC1
MolPort-001-782-919 0.62 OCCC1CCCC=C1
MolPort-000-834-214 0.62 CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCCC12C
MolPort-006-116-093 0.62 OC1CCC\C=C/CC1
MolPort-039-338-560 0.62 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
MolPort-039-338-521 0.62 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-002-527-896 0.62 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
MolPort-039-339-024 0.62 CC(C)=CCC[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
MolPort-042-648-454 0.62 N[C@@H](C1CC2CC1C=C2)C(O)=O
MolPort-039-338-508 0.62 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
MolPort-039-052-469 0.62 C[C@H]1[C@@H](O)[C@H](O)C[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
MolPort-038-386-562 0.62 CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
MolPort-003-698-563 0.62 COC(=O)C1CC2CC1C=C2
MolPort-035-706-426 0.62 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-046-761-807 0.62 C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-003-800-707 0.62 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C#N
MolPort-035-705-806 0.62 COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
MolPort-039-338-563 0.62 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(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-019-931-806 0.62 CC1CCC2C(=CC3C(O)C(C)(C)CC123)C(O)=O
MolPort-002-524-727 0.62 CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-649-737 0.62 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-046-764-888 0.62 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-016-586-413 0.62 CC(C)(C)C12C=CC1(C(C)(C)C)C(C)(O)C2=O
MolPort-004-769-059 0.62 OC(=O)C1CC2C=CC1C2=O
MolPort-008-346-698 0.62 CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
MolPort-046-158-388 0.62 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 0.62 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
MolPort-002-514-341 0.62 C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(=O)CC(C#N)(C#N)C(C#N)C#N
MolPort-005-945-123 0.62 COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
MolPort-046-790-498 0.62 C[C@H](CC(O)C(O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
MolPort-001-762-335 0.62 COC(=O)C1CC2CC1C=C2
MolPort-000-000-426 0.62 NC(C1CC2CC1C=C2)C(O)=O
MolPort-006-112-811 0.62 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-002-534-834 0.62 CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MCULE-5815266173 0.62 C1(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-2997418374 0.62 C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
MCULE-9070724061 0.62 C1(C)(CCC(=C)C1(C)C)C(O)C(O)=O
MCULE-3588728893 0.62 C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
MCULE-1048579708 0.62 C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-6900112057 0.62 C1CCCC2C(=O)CC(C)C=2CCCCCC1
MCULE-9458964114 0.62 C/C(/C)=C/CCC1CCCCC(O)C=1
MCULE-6413140986 0.62 [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)CCCC(C)C)[H]
MCULE-6114329924 0.62 [C@H]1(O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-3896942700 0.62 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)CO)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-6742532196 0.62 C1(C)(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-8423145149 0.62 [C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-3650003593 0.62 O=C1C=C(CC2CC=CCC2)CCCC1
MCULE-1794103472 0.62 CC1(C(CC2CC=CC2)=O)OCCCC1
MCULE-6265228650 0.62 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(CC)C(C)C
MCULE-5189112501 0.62 C1(=O)C2C3C4C1C1C=CC5C1C4C1C3C2C(=O)C15
MCULE-9382333306 0.62 C1(C)(C)CC(=O)C2=C(C)CCC12
MCULE-3449539268 0.62 C1CC2(C3CCC4C5C(C(C)=C)CCC5(CCC4(C(O)=O)C3(C)CCC2C(C)(C1O)C(=O)O)C(O)=O)C
MCULE-1216746738 0.62 [C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-8599123114 0.62 C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-7051383473 0.62 C1(C)(C)C(=C)CCC1C(O)C(O)=O
MCULE-8903209433 0.62 C1C[C@]23C[C@@]42CC[C@]2(C)[C@]([C@@H](CCC(=C)C(C)C)C)([H])CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-4774026424 0.62 O=C(C1OCCCC1)CC1CC=CC1
MCULE-1925425954 0.62 C12CCCCC1CCC(=O)C=2
MCULE-9644532124 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)C(C)C)CC3)CC=2
MCULE-5633160153 0.62 O=C1C=C(CC2CC=CC2)CC1
MCULE-7818588594 0.62 CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
MCULE-9060371972 0.62 C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
MCULE-1130296851 0.62 [C@]12(C)CCC3[C@@]([H])(CC=C4CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C
MCULE-3433785012 0.62 CC(C)CC[C@@](O)([C@@](C)([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC=C2[C@@]1(CC[C@](O)(C2)[H])C)[H])[H])C)[H])[H])[H])[H]
MCULE-5174909262 0.62 C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
MCULE-5670150971 0.62 C(/C=C\CC)C(C(O)/C=C/C(O)CCCCCCCC(=O)O)O
MCULE-5776284238 0.62 C12CC(C=C1)C(CO)C2CO
MCULE-5371407715 0.62 C12(CCC(C(=C)C1(C)C)C2)C(O)=O
MCULE-6498196947 0.62 C12C=CC1C1CC(O)C12
MCULE-9790788139 0.62 O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
MCULE-1910237865 0.62 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@H](CC)C(C)C
MCULE-1342617339 0.62 C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-5606035595 0.62 C1(O)(C)C2CCC(O)(C)C2C/C(=C(\C)/C)/C(=O)C1
MCULE-6685866242 0.62 C(C(=O)O)CCCCCCC(O)/C=C/C=C/CCCCC
MCULE-1739570677 0.62 [C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C[C@]2(O)C
MCULE-9061110786 0.62 C(=C(/C)\C)\C(=O)C1CCC(CC1)=O
MCULE-6673315997 0.62 C/C(/C)=C/C1(C2(CCCCC2)CC1)O
MCULE-4829210533 0.62 C/C(/C)=C/C1(CCC2(CC2)CC1)O
MCULE-2278855920 0.62 CC1(CCCC1)CC1(CC=CC1)CO
MCULE-5351377157 0.62 C/C(/C)=C/CCC1(C2CC(CC2)C1)O
MCULE-5419694681 0.62 OCC1(C2CCCCCC2)CC=CC1
MCULE-7818217503 0.62 C1CCC(=O)CCCC=1
MCULE-4834307131 0.62 OC(C1(CCCC1)O)CC1CC=CC1
MCULE-4398307489 0.62 C/C(/C)=C/C1(C(C2CC2)CCCC1)O
MCULE-6794880716 0.62 C/C(/C)=C/C(C1CCC2(CC2)CC1)O
MCULE-4504889503 0.62 [C@]12(C)CC[C@H](O)C(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C#N
MCULE-8030446235 0.62 [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-6267867370 0.62 C12(C(C)(C)C)C=CC1(C(=O)C2(C)O)C(C)(C)C
MCULE-7990472329 0.62 C1(CC2(CC1([H])C=C2)[H])C(N)C(O)=O
MCULE-9335291007 0.62 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-6077958460 0.62 C(OC)(CC1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2321781017 0.62 CC1OC(C(CC2CC=CCC2)=O)CC1
MCULE-6511007969 0.62 C12C(O)C(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
MCULE-6259050360 0.62 [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-6072665694 0.62 C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-2449230661 0.62 C1(CC2CC1C=C2)C(OC)=O
MCULE-9679346580 0.62 C(O)(C1C2C(=C(C)C)C(C=C2)C1C(O)=O)=O
MCULE-1541926426 0.62 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-5887629699 0.62 C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@]([H])(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
MCULE-7865324905 0.62 C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
MCULE-5049706558 0.62 C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
MCULE-2591985853 0.62 CC1(C(CC2CC=CCC2)=O)OCCC1
MCULE-7424984034 0.62 C1C[C@]2([H])[C@@](C)(CC/C(=C/C(OC)=O)/C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
MCULE-4937005028 0.62 [C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
MCULE-2528813222 0.62 C1=C[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C[C@@H](CO)C2=CC1=O
MCULE-4791941925 0.62 [C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(=O)CC(C(C#N)C#N)(C#N)C#N
MCULE-1292561691 0.62 CC1C(C(CC2CC=CCC2)=O)OCC1
MCULE-4854708910 0.62 CC1(C(=O)C(CC2CC=CCC2)CO1)C
MCULE-5009469360 0.62 [C@@H]1(C(O)=O)CCC=CC1
MCULE-9440786663 0.62 O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)[H]
MCULE-9797420475 0.62 OC([C@H]1CC=CCC1)=O
MCULE-8004127409 0.62 C1(C2C3C4C2C2C5C6C7C(C54)(C3=O)C21C6C=C7)=O
MCULE-6262725586 0.62 OC(C1CC=CCC1)=O
MCULE-8712180858 0.62 CC(C(C1(C(O)=O)CC=CC1)C)O
MCULE-1177617044 0.62 C1(=O)CC23CC2(CCC3)C=C1
MCULE-8827470848 0.62 CC(CC1(C(O)=O)CC=CC1)(O)C
MCULE-1652773504 0.62 C1(/CCC(C/1)C(O)=O)=C(\C)/C
MCULE-7139174666 0.62 C1CC(C(O)=O)(CC=C1)[H]
MCULE-4677342716 0.62 O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21)[H]
MCULE-1597942572 0.62 OC([C@@H]1CC=CCC1)=O
MCULE-6215840629 0.62 [C@H]1(C(O)=O)CCC=CC1
MCULE-3946157075 0.62 C(/C)(\C)=C/CC[C@@H](C)CCO
MCULE-2407386794 0.62 [C@@H](C)(CCO)CC/C=C(\C)/C
MCULE-3900892809 0.62 C(/C)(\C)=C/CC[C@H](C)CCO
MCULE-4204888723 0.62 C(/C)(\C)=C/CCC(C)CCO
MCULE-4399439382 0.62 C(/C)(\C)=C/CC[C@@H](C)CCO
MCULE-1291038880 0.62 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-2744861965 0.62 O=C1C(CC2CC=CC2)COCC1
MCULE-7444972832 0.62 C(O)(=O)CCC/C=C1/C[C@@]2([H])[C@@]([H])(C/1)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC
MCULE-3556089734 0.62 C1=CC2C1C(C(O)=O)C2C(O)=O
MCULE-6674544067 0.62 OC(C1(CC=CC1)CC1CC(F)(F)C1)=O
MCULE-4753796367 0.62 C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
MCULE-7543238538 0.62 C(O)(=O)CCC1C(=O)CCCC=1
MCULE-7439135180 0.62 CC(C1(C(C2CCCC=2)=O)CC1)C
MCULE-5860324516 0.62 C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@](O)(C(O)=O)[C@@]3(C)C[C@@H]([C@]21[H])O)C
MCULE-6148148354 0.62 C1(C)C(C(O)C2(CO)C(C)CC=CC2)CC=CC1
MCULE-3038839535 0.62 C12C(C)(C)CCCC=1CC(C)C(CO)(CO)C2
MCULE-7065925222 0.62 C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
MCULE-2316234334 0.62 C1C=C(C)CCC(C(O)(C)C)C=CC(C)C1
MCULE-1027304648 0.62 O=C(/C=C1\CCCCC\1)CC1CC=CC1
MCULE-9679008761 0.62 C12C(CCO)=CCC(C1(C)C)C2
MCULE-1721479473 0.62 C1C(C)=CCC(C(O)(C)C)CCC(C)=CCCC(C)=CC1
MCULE-7819289735 0.62 C1(CCCC(C)=C1C=O)(C)C
MCULE-9478310264 0.62 C1=C[C@]2(C(=CC1=O)CCC1[C@]3([H])CC[C@](O)(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
MCULE-8149754044 0.62 C(C1=CC(C)CCC1)=O
MCULE-4113416417 0.62 [C@]12(C)C[C@H](O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
MCULE-5372838459 0.62 C(=O)(/C=C(\C)/C)CC(O)C(C)C
MCULE-3854801059 0.62 C1(CCCC)C(=O)CCC=1C
MCULE-7553754590 0.62 C1(=O)[C@@H](C)CCC=C(C)CC(=O)[C@H](C(C)C)C1
MCULE-9073699986 0.62 [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-2526639251 0.62 [C@]1(C)(C(CC=C)O)CCC(=CC1C)C
MCULE-2548709406 0.62 C1=C(C)CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CC1
MCULE-8553860527 0.62 C12(C3C4C5C(C1OC1C5C3CC1)C1C3CC=CC3C2C14)C=O
MCULE-5986847154 0.62 C1=C(C)CCC2C(C(O)(C)C)CCC2(C)CC(O)C(=C)CC1
MCULE-7666040130 0.62 [C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
MCULE-1753855464 0.62 C1C(C)=CCC(C(=C)CCO)C1
MCULE-8228429125 0.62 C1C2(C(C=C(C(=O)O)C2CC(O)=O)CC1(C)C)C(=O)CO
MCULE-6914138383 0.62 [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-2204393281 0.62 C1C2CC2CCCC([H])(O)C=1
MCULE-2011068282 0.62 C1(CO)C(C)(C)CCCC=1C
MCULE-4187355503 0.62 CC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-9704056914 0.62 O=C(C1CCCCCCC=1)C1C2(CC2)C1
MCULE-9509535864 0.62 [C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
MCULE-1836906318 0.62 [C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
MCULE-3790245367 0.62 C1(CO)(CO)C(C)CC(=CC1C)C
MCULE-2243940623 0.62 C1CC2CC2CCC(=O)C=1
MCULE-1319324374 0.62 CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-2031804178 0.62 C1(CCC(C)=O)=C(C)CCC1C(C)=C
MCULE-5631441050 0.62 C12CCCCC1(C)CCC(=O)C=2
MCULE-7781678672 0.62 C12CCCCC1C(CC(=O)C=2)C(C)C
MCULE-9379846923 0.62 C[C@H](CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)O)=CC3)[H])([H])CC1)C)CO
MCULE-1780261202 0.62 O=C1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
MCULE-7049960827 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@]([H])(C)CC[C@@]([H])(CC)C(C)C)[H]
MCULE-5784478301 0.62 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-4587768251 0.62 [H]C12CC(O)CCC1(C)C1(C)C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MCULE-1576185930 0.62 O[C@@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
MCULE-1401500807 0.62 O=C1C(CC2CC=CCC2)COCC1
MCULE-4594101266 0.62 C1CC2(C)CC(=O)C=C2C1
MCULE-2409753351 0.62 [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)CC[C@@H](CC)C(C)C)[H]
MCULE-6069203147 0.62 C1C(C(C)CCCC(C)C)C2(C)CCC3C(CC=C4C3(C)CCC(O)C4(C)C)C2C1
MCULE-1124335251 0.62 C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
MCULE-9928356247 0.62 C12C3C4C5C(C(C(=O)C1=O)C4CC3)C=CC25
MCULE-8557116567 0.62 C12([H])C(C)CCC1([H])C(C)=CC2=O
MCULE-3836274754 0.62 C12CC(C=C1)C(CO)(CO)C2
MCULE-6818941701 0.62 C1(O)CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1
MCULE-5523061914 0.62 C1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC3)CC=2
MCULE-1713939889 0.62 C12CC(O)(C)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-3926742898 0.62 O=C1C=CC2(CCCCC2)CC1
MCULE-7911152718 0.62 O=C1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1(C)C
MCULE-8358015855 0.62 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-1282304829 0.62 C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-9430504051 0.62 C123CCC=CCCC1(C(C(=O)C2C(OC)=O)C(OC)=O)C(C(=O)C3C(OC)=O)C(OC)=O
MCULE-3541447914 0.62 C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
MCULE-9439225491 0.62 CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
MCULE-9819330201 0.62 [C@@]12([H])CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MolPort-022-366-452 0.62 CC1(CCC=CC1)C(O)=O
MolPort-006-728-041 0.62 OC(=O)[C@H]1CCC=CC1
MolPort-006-393-372 0.62 OC(=O)[C@@H]1CCC=CC1
MolPort-006-119-583 0.62 C[C@@H]1CC=CC[C@H]1C(O)=O
MolPort-000-002-498 0.62 OC(=O)C1CCC=CC1
MolPort-001-787-552 0.62 CC(CCC=C(C)C)CC=O
MolPort-039-239-671 0.62 CC(CCC=C(C)C)C(C)C=O
MolPort-001-769-687 0.62 CC(CCO)CCC=C(C)C
MolPort-001-793-058 0.62 C[C@H](CCC=C(C)C)CC=O
MolPort-003-845-967 0.62 C[C@H](CCO)CCC=C(C)C
MolPort-001-792-412 0.62 C[C@@H](CCC=C(C)C)CC=O
MolPort-002-535-711 0.62 C[C@@H](CCO)CCC=C(C)C
MolPort-039-338-305 0.62 C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
MolPort-006-668-177 0.62 C\C(CCC1C(=C)CCC2C1(C)CC(O)CC2(C)C(O)=O)=C/C(O)=O
MolPort-027-640-976 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
MolPort-003-940-710 0.62 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
MolPort-039-338-613 0.62 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
MolPort-044-637-531 0.62 C\C1=C\CC\C(C)=C\CC(CC\C(C)=C/CC1)C(C)(C)O
MolPort-046-684-157 0.62 CC(C)[C@@H]1CC(=O)[C@@H](C)CCC=C(C)CC1=O
MolPort-046-702-932 0.62 CCCCC1=CCCC1=O
MolPort-001-790-844 0.62 CC1(C)[C@@H]2C[C@H]1C(CCO)=CC2
MolPort-002-506-918 0.62 CC1C=C(C)CCC1(CO)CO
MolPort-023-220-735 0.62 CC(C)[C@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-000-714-524 0.62 CC1CC(C)=CC(C)C1(CO)CO
MolPort-002-530-517 0.62 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-019-930-612 0.62 CC1(C)[C@H]2CC1C(CCO)=CC2
MolPort-046-765-694 0.62 C[C@H]1C[C@H]2C3CC[C@](O)(C(O)=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-701-995 0.62 CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)/CC1=O
MolPort-046-701-687 0.62 CC(=O)C(O)C1(C)CCC2C3CCC4=CC(=O)CCC4=C3CCC12C
MolPort-046-149-617 0.62 O=C1CC2C=CCCC12
MolPort-046-765-475 0.62 C[C@]12C[C@H](O)[C@H]3C([C@@H]1CC[C@]2(O)C(=O)CO)[C@H](O)CC1=CC(=O)CC[C@]31C
MolPort-046-697-151 0.62 CC1(C)CC2C=C(C(CC(O)=O)C2(C1)C(=O)CO)C(O)=O
MolPort-001-794-308 0.62 CC1=C(C=O)C(C)(C)CCC1
MolPort-046-153-062 0.62 C\C1=C\CCC(=C)C(O)CC2(C)CCC(C2CC1)C(C)(C)O
MolPort-046-158-414 0.62 CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC(CO)C(=C)CCCC(C)CCCC(C)CCCC(C)C
MolPort-001-942-587 0.62 CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2
MolPort-002-514-937 0.62 CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
MolPort-006-120-169 0.62 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-046-766-229 0.62 C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO
MolPort-020-006-015 0.62 CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-003-930-540 0.62 CC1(C)C2CC1C(CCO)=CC2
MolPort-003-846-086 0.62 CC1=C(CO)C(C)(C)CCC1
MolPort-002-510-076 0.62 CC1C=C(C)CC[C@@]1(C)C(O)CC=C
MolPort-002-529-465 0.62 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-002-526-459 0.62 C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
MolPort-039-101-217 0.62 CC1CC\C=C(C)\CCC(\C=C\1)C(C)(C)O
MolPort-001-767-082 0.62 CCCCC1=C(C)CCC1=O
MolPort-002-525-983 0.62 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-000-824-500 0.62 CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
MolPort-046-596-485 0.62 CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
MolPort-046-596-558 0.62 CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
MolPort-003-846-085 0.62 [2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MolPort-046-646-759 0.62 O=C1C=CCC11CCCCC1
MolPort-044-567-536 0.62 C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO
MolPort-028-949-482 0.62 [Na+].OC(CCCC=C)CCCC([O-])=O
MolPort-046-761-785 0.62 CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
MolPort-004-802-886 0.61 CC1CCC(O)=CC1=O
MolPort-027-640-898 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1CCCCCCC(O)=O
MolPort-001-989-180 0.61 CC1C(C(C(C=C(C)C)C=C1C)C(O)=O)C(O)=O
MolPort-046-509-025 0.61 C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)C(=C)C=C1
MolPort-006-394-736 0.61 CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-021-782-997 0.61 CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
MolPort-039-337-729 0.61 CCOC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
MolPort-039-138-885 0.61 CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-046-689-757 0.61 [2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
MolPort-009-018-290 0.61 CCCCCC(O)\C=C\[C@@H]1C(CCCCCCC(O)=O)C(O)CC1=O
MolPort-009-018-315 0.61 CCCCCC(O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCCCC(O)=O
MolPort-009-018-325 0.61 CCCCCC(O)\C=C\[C@H]1[C@@H](O)CC(=O)C1CCCCCCC(O)=O
MolPort-009-018-333 0.61 CCCCC[C@@H](O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-027-640-899 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@H]1CCCCCCC(O)=O
MolPort-039-138-846 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-009-018-334 0.61 CCCCC[C@](C)(O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-009-018-339 0.61 CCCCC(C)(C)C(O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-009-019-232 0.61 CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
MolPort-027-640-900 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-042-675-478 0.61 CC(CC(=O)C=C(C)C)C1CC(O)C(=C)C=C1
MolPort-044-183-234 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O
MolPort-002-512-390 0.61 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(N)=O
MolPort-046-687-422 0.61 C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)[C@@](C)(O)C=C1
MolPort-020-001-257 0.61 CCCCCC(O)\C=C\C1C(O)CC(=O)C1CCCCCCC(O)=O
MolPort-027-640-985 0.61 CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)C(=O)CC1=O
MolPort-044-183-439 0.61 C[C@@H](CCC=C(C)C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
MolPort-046-684-181 0.61 CCCCC\C=C\C\C=C/CCCCCCCCCC(=O)OCC
MolPort-044-561-679 0.61 C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
MolPort-044-183-313 0.61 CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-002-513-028 0.61 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC
MolPort-003-938-896 0.61 CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-003-937-819 0.61 CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
MolPort-046-763-170 0.61 CCCCCC(=O)\C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-003-939-183 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-003-937-820 0.61 CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC
MolPort-003-939-185 0.61 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-003-801-744 0.61 CC(=O)CCC=C1CCCCC1
MolPort-046-069-932 0.61 CC(C)=C1CCC(=O)CC1
MCULE-3394759576 0.61 C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-6477437107 0.61 C1(CCCC(=O)C=1)C(O)=O
MCULE-7221814357 0.61 O=C(C1CCOCC1)CC1CC=CC1
MCULE-4243027733 0.61 C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
MCULE-1599764188 0.61 [C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
MCULE-4964860916 0.61 C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
MCULE-5643440248 0.61 [C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
MCULE-7633282937 0.61 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
MCULE-8374344586 0.61 O=C1C(CCC2CCCCC=2)COC1
MCULE-4546155810 0.61 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
MCULE-1963273832 0.61 [C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-5396685230 0.61 C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
MCULE-5485844450 0.61 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
MCULE-9660893096 0.61 C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-5424518807 0.61 C1=CCC2(C(C1)(CC#N)CCCC2)C(O)=O
MCULE-2754580936 0.61 C/C(/C)=C/CC([C@H](C(C)=O)[C@@H]1[C@@]2(C)CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]1O)=C
MCULE-4167735225 0.61 C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
MCULE-7060204243 0.61 CC1C(CCC2CCCCC=2)C(=O)CO1
MCULE-3531952070 0.61 C1CC2(C)C3CCC4(C)C(C(C(=O)/C=C(\C)/C(O)(C)C)C)CCC4C=3CCC2(O)C(C)(C)C1O
MCULE-2519092915 0.61 C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
MCULE-4479203479 0.61 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-5549887798 0.61 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-6291067113 0.61 [C@]12(O)C[C@@H]([C@H](O)[C@]1([H])[C@@H](O)C(=C)CC[C@@]1(C(C)(C)[C@]1([H])C=C(C)C2=O)[H])C
MCULE-8466128773 0.61 [C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-1655274985 0.61 C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
MCULE-2907287296 0.61 C1C(CC2C1(C(C(C(=O)O)=C2)CC(O)=O)C(=O)C)(C)C
MCULE-9418551163 0.61 C12(C)C(O)(CCC1C1C(CC2O)C2(C)CCC(C=C2CC1)=O)C#N
MCULE-9253743476 0.61 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-4797309594 0.61 [C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
MCULE-4633610104 0.61 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-1695863761 0.61 C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
MCULE-3979294448 0.61 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-1128702855 0.61 C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
MCULE-5590608344 0.61 [C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C.N1CCCCC1
MCULE-2883797701 0.61 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-6132152847 0.61 [C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
MCULE-6709791224 0.61 C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
MCULE-1821855723 0.61 C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
MCULE-5544927487 0.61 [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-3121556913 0.61 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-5882877418 0.61 C/C(/C)=C/C(CC1CC2C(C2)CC1)=O
MCULE-6377131123 0.61 C1CC(CO)CCC=1C
MCULE-8309101837 0.61 C/C(/C)=C/C1(CC2CC(CC2)C1)O
MCULE-6026959980 0.61 C12CC1C(=O)C(/C=C(\C)/C)C2
MCULE-9092365556 0.61 C(=O)C(CCCC)=CCCCCC
MCULE-7334417627 0.61 CC(CC1CCCCC=1)(O)C
MCULE-2844730204 0.61 C12(C)CCC3C(CCC4CCCCC34C)C1C/C(=C(/C)\C)/C2O
MCULE-3589595055 0.61 CC=CC(CC1CC2C(C2)CC1)=O
MCULE-7528842962 0.61 C1(C)C[C@H](C)[C@@H](CC=1C)C=O
MCULE-2613547392 0.61 C/C(/C)=C/C(C12CCCCC1C2)O
MCULE-4392799968 0.61 C1(C=O)CCC(C)=C(C)C1
MCULE-8536214911 0.61 C1C(=O)C2([H])CC2([H])C=CCC1
MCULE-2871959103 0.61 C[C@@]12CC[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-6548923859 0.61 [C@@]12(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([C@@]2(C)CC[C@]1([H])[C@](C)(O)CC/C=C(/C)\C)[H])O
MCULE-3450777603 0.61 O[C@@H]1C(C)(C)[C@@]2([H])[C@@](C)([C@]3([H])[C@@](C)(CC2)[C@]2(C)[C@@]([H])([C@@H]([C@](CC/C=C(/C)\C)(C)O)CC2)[C@H](O)C3)CC1
MCULE-9576334626 0.61 C(C1CC(C)=CC(C)C1C)=O
MCULE-7795288814 0.61 C1CC(C(C)=O)(C)C=CC1
MCULE-2583415836 0.61 CC(CCC=C(CCC1C2(C)C(C(CCC2)(C)C)CC=C1C)C)=O
MCULE-1361042454 0.61 C[C@@]12C[C@H](O)[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-7619150531 0.61 CCCCC/C=C(\C=O)/CCCC
MCULE-3247594562 0.61 C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CCC(=O)C)C
MCULE-3487233745 0.61 C1(C)CC(C)C(CC=1C)C=O
MCULE-2124537298 0.61 C/C(/C)=C/CCC1(C2C(C2)CCC1)O
MCULE-4732733810 0.61 C1[C@@]2(C)[C@@]([H])([C@@H](O)C[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]2([H])[C@@]3(C)CC[C@@H]2[C@](O)(CC/C=C(\C)/C)C)C(C)(C)[C@@H](O)C1
MCULE-8019425107 0.61 C1C(C(O)C)C=CCC1
MCULE-6646668513 0.61 C[C@@]12C[C@H](O)[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-9020191331 0.61 C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC/C=C(/C)\C)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-7643707180 0.61 C/C(/C)=C/C(CC1CC2C(C2)C1)=O
MCULE-7688284225 0.61 C1(C=O)(C)CCC(C)=C(C)C1
MCULE-5296220089 0.61 C/C(/C)=C/C(C12CCCC1C2)O
MCULE-2910442456 0.61 CC=CC(CC1CC2C(C2)C1)=O
MCULE-2585598299 0.61 C/C(=C/CCC(C1C2C(CC3C(C)(C2(C)CC1)CCC1C3(CCC(C1(C)C)O)C)O)(O)C)/C
MCULE-5147208258 0.61 C/C(/C)=C/C(C1CC2C(C2)CC1)O
MCULE-7835659960 0.61 C/C(/C)=C/CCC1(C2C(C2)CC1)O
MCULE-5534930691 0.61 C1CC(CCC=1C)C=O
MCULE-1572938680 0.61 C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC/C=C(\C)/C)O)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2([H])C(C)(C)[C@H]1O
MCULE-4750287883 0.61 C1=CCC(C(O)=O)(C)C(C(C)=O)([H])C1
MCULE-2200029918 0.61 OC(C(C1C=CCCCCC1)C#N)=O
MCULE-7563615671 0.61 CC1OC(C(CC2CC=CC2)=O)CC1
MCULE-6976868103 0.61 OC1CC(=O)C(CCCCCCC(O)=O)C1/C=C/C(O)CCCCC
MCULE-1107229357 0.61 O=CC1(C2OC(CC2)C1)CC1CC=CC1
MCULE-6678526334 0.61 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(N)=O)=C[C@H](CCCCC)O
MCULE-3865951643 0.61 C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
MCULE-1383087393 0.61 C1=C[C@@]([H])([C@H](CC(/C=C(/C)\C)=O)C)C[C@H](O)C1=C
MCULE-1984890609 0.61 C(/CCCCCCCC(OCC)=O)=C/C/C=C\C/C=C\CC
MCULE-5248179465 0.61 CCCCCC(C=CC1C(CCCCCCC(=O)O)C(=O)CC1O)O
MCULE-2975110457 0.61 C(CC(=O)OCC)CCCCC/C=C/C/C=C/C/C=C/CC
MCULE-6893473009 0.61 C1(C(C)CC(/C=C(\C)/C)=O)CC(O)C(=C)C=C1
MCULE-2517844980 0.61 O=C(CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](CCCCC)O)O
MCULE-6024570055 0.61 CC1(C(=O)C(CC2CC=CC2)CO1)C
MCULE-7591578797 0.61 [C@H]1(CCCCCCC(=O)O)C(=O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCCCC
MCULE-7177256815 0.61 C(CCC(=O)OCC)CCC=CCC=CCC=CCC=CCC=CCC
MCULE-4255982344 0.61 C(CCCCCCCC=CCC=CCC=CCC)(OCC)=O
MCULE-5797133433 0.61 C(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C
MCULE-7356333105 0.61 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(OC)=O)=C[C@H](CCCCC)O
MCULE-2187659696 0.61 O=CC1(COCC1)CC1CC=CCC1
MCULE-5918636692 0.61 C1(=O)[C@H](CCCCCCC(=O)O)[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C1
MCULE-3728655247 0.61 O=CC1(COCCC1)CC1CC=CCC1
MCULE-3134302963 0.61 C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
MCULE-4304799829 0.61 C(CCCCCCCC=CCC=CCCCCC)(OCC)=O
MCULE-7960215674 0.61 CC(C1CC1)(CC1CC=CC1)O
MCULE-6714106749 0.61 CC(C1CC(CC2CC=CC2)(O)C1)C
MCULE-2160573955 0.61 CC1(C(CC2CC=CC2)(O)CC1)C
MCULE-7868209831 0.61 CC1C(C(CC2CC=CC2)O)C1
MCULE-9392156768 0.61 CC1CC(CC2CC=CC2)(O)CC1
MCULE-6470482217 0.61 CC(C1C(C)(C)C1)(CC1CC=CC1)O
MCULE-3772551936 0.61 C/C(/C)=C/CCC1C(=O)CCC1
MCULE-5898882618 0.61 C/C(/C)=C/CCC1(C(O)(C)CCC1)C
MCULE-7483828714 0.61 CC1C(CC2CC=CC2)(O)CC1
MCULE-3600108582 0.61 CC1CC(C(CC2CC=CC2)=O)C1
MCULE-3117143517 0.61 CC1(CC(CC2CC=CC2)(O)C1)C
MCULE-5785045084 0.61 CC1C(C)C(CC2CC=CC2)(O)C1
MCULE-9795786500 0.61 C/C(/C)=C/CCC1C(=O)CCCCC1
MCULE-2042059061 0.61 CC=C(C(CCCCCC)O)C
MCULE-7257776158 0.61 CC1CC(C(CC2CC=CC2)O)C1
MCULE-4937917272 0.61 CC1(C(C(CC2CC=CC2)=O)C1)C
MCULE-4680973810 0.61 CC1CC(CC2CC=CC2)(O)C1
MCULE-1960015964 0.61 O=C(C1CCC1)CC1CC=CC1
MCULE-2402052397 0.61 C/C(/C)=C/CCC1C(O)CCCCC1
MCULE-1076445196 0.61 C1(/CCCCC/1)=C/CCC(C)=O
MCULE-9162899306 0.61 CC1(C(CC2CC=CC2)=O)CC1
MCULE-6185037616 0.61 OC1(CCCC1)CC1CC=CC1
MCULE-3945470935 0.61 CC1C(C(CC2CC=CC2)=O)C1
MCULE-6994850137 0.61 CC1(CC(CC2CC=CC2)(O)CC1)C
MCULE-8591003562 0.61 O=C(C1CC1)CC1CC=CC1
MCULE-1448579286 0.61 CC(C1(CC1)C)(CC1CC=CC1)O
MCULE-2280486224 0.61 C/C(/C)=C/CCC1C(O)CCC1
MCULE-9666104558 0.61 CC1C(C(CC2CC=CC2)(O)C)C1
MCULE-6392382167 0.61 CC(C(CC1CC=CC1)=O)=C
MCULE-9338644720 0.61 OC1(CCC1)CC1CC=CC1
MCULE-4126828958 0.61 CC1(C(C)(C)C1C(CC1CC=CC1)=O)C
MCULE-8451732137 0.61 CC(C1CCC1)(CC1CC=CC1)O
MCULE-3526435182 0.61 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MCULE-9255224968 0.61 C(O)(=O)CCCC=CCC=CCC=CCC=CCC=CCC
MCULE-6738536824 0.61 O=C1C(C)=C2C(CCCC2(C)CC1)=O
MCULE-8305655266 0.61 [C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CC[C@@H]2O)C)O
MCULE-8690639813 0.61 [C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-6340945460 0.61 O=C(C12CCCCC1C2)C1CCCCC=1
MCULE-9102303739 0.61 C12C3CC(C=C3)C1[C@@H]([C@](C)(O)C2)O
MCULE-4900297288 0.61 CC1CC(CC2CC=CC2)=CC(=O)C1
MCULE-7132823730 0.61 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-9379929413 0.61 C1(O)CC2(C)CC2(C)C=C1
MCULE-9661302470 0.61 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-9945451158 0.61 [C@]12(C)C=CC(C[C@]1(C)CCC1C2CC[C@]2(C1CC[C@@H]2O)C)(C)O
MCULE-1284522477 0.61 C12C3C4C=CC1C(C4C(=O)C3)C(=O)C2
MCULE-9795083418 0.61 O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
MCULE-2160116138 0.61 O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-5633538128 0.61 C12CCCC1(C)CC(=O)C=2C
MCULE-1731235356 0.61 O=C(C1CCCCC=1)C1C2C(C2)CCC1
MCULE-2575543658 0.61 C1(C2C(C3CC2C=C3)C2C(C3C(C4CC3C=C4)C12)=O)=O
MCULE-9868633193 0.61 C1CC2(C(O)CC(C(C(=O)O)=C)CC2C(C1)=C)C
MCULE-2144125677 0.61 C12([H])C=C(C)C1([H])CCC2([H])O
MCULE-1937134104 0.61 C1CC2(C(CCC(C2CCC(CC(O)=O)C)=C)C(C1)(C(=O)OC)C)C
MCULE-9641907119 0.61 C12C(C)(O)C=CC(C1)CC2
MCULE-6041020600 0.61 C12C(=O)C=CC(C1)CC2
MCULE-3132312011 0.61 O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MCULE-3425686308 0.61 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-8417547529 0.61 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-3339182305 0.61 C(=C)(C(O)=O)[C@]1(O)CC[C@@]2([C@]([H])(C(CCC2)=C)C1)C
MCULE-6538426298 0.61 O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-7380885765 0.61 O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-6555171777 0.61 C12CC(C3C(=O)CC(=O)C13)C1=C2C2CC1CC2
MCULE-6062917578 0.61 C/C(/C)=C/CCC1CCC(O)C=1
MCULE-5576651337 0.61 [H]C(O)(C)C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-6737121719 0.61 C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)[C@@H]([C@@]2([H])C(C1)=C)O)C
MCULE-4694903563 0.61 C(CO)(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)[H]
MCULE-2001524479 0.61 C[C@@]12[C@H]3CC=C4[C@H]5CC(C)(C)[C@@H](O)[C@H](O)[C@]5(CO)[C@H](O)C[C@@]4(C)[C@]3(C)CCC1[C@](CO)(C)[C@@H](O)CC2
MCULE-2324385738 0.61 C12(C)C(=O)CC(C)(C)C1C=C2
MCULE-1019761033 0.61 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@]2(O)C(=C)C1
MCULE-3997698187 0.61 C1C[C@]23C[C@@]42CC[C@]2(C)[C@@]([H])([C@@H](C/C=C/C(O)(C)C)C)CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@H](C)[C@H]1O
MCULE-5238788396 0.61 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-3209954130 0.61 C1[C@@H](CC[C@]2(CC[C@H](O)[C@]21C(=O)C)C)C(C(O)=O)=C
MCULE-1327216619 0.61 CC1(CC(CC2CC=CC2)=CC(=O)C1)C
MCULE-9678628720 0.61 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@@]2(O)C(=C)C1
MCULE-4303966960 0.61 C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-1467475131 0.61 C1C=C2CCC(O)C2C1
MCULE-5781346358 0.61 C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1
MCULE-3893717167 0.61 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-4324141268 0.61 [C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-7493111413 0.61 C12(O)CC=CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2
MCULE-3175746942 0.61 C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-8519555544 0.61 C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-8984962328 0.61 [H]C12CC(O)C=CC1(C)C1CCC3(C)CCCC3C1CC2
MCULE-1428417742 0.61 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
MCULE-3125023758 0.61 C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
MCULE-5119094209 0.61 O=C(C12CCCC1C2)C1CCCCC=1
MCULE-8676658606 0.61 C1(O)CC2CC2C=C1
MCULE-8902385122 0.61 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-7694867483 0.61 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
MCULE-3386101177 0.61 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
MCULE-9469566080 0.61 C[C@@]12CC[C@@H](O)C(C)(C)[C@@]1([H])CCC1=C[C@@](CC[C@@]21[H])(C)[C@H](CO)O
MCULE-6739386631 0.61 O=C(C1CCCCC=1)C1CC2C(C2)CC1
MCULE-8543584572 0.61 C1(=O)C2CC=CC1CC2
MCULE-3033801776 0.61 OC(C12CCCC1C2)C1CCCCC=1
MCULE-7384114075 0.61 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-4876387221 0.61 O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-2012587344 0.61 C1=CC2C3C4C5C(C(=O)C(=O)C2C4C=C5)C13
MCULE-2014220888 0.61 O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-9637050612 0.61 O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-8841120984 0.61 CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
MolPort-046-596-417 0.61 CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-046-596-414 0.61 C[C@]12CCC3C(CC=C4CC(O)CC[C@]34CO)C1CCC2O
MolPort-039-338-279 0.61 C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C
MolPort-023-274-272 0.61 CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-046-762-740 0.61 CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C
MolPort-046-761-473 0.61 CC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-039-338-439 0.61 C[C@@]12CCC[C@@](C)([C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-001-740-063 0.61 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-933-180 0.61 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
MolPort-001-785-926 0.61 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-038-434-376 0.61 O=C1C2CCC1C=CC2
MolPort-023-298-999 0.61 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-509-923 0.61 CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-035-757-683 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-035-706-514 0.61 CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-039-339-184 0.61 C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-002-527-029 0.61 CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-019-994-121 0.61 CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-023-276-307 0.61 CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-801-261 0.61 C[C@]12CCC3C(CC[C@@]4(C)CC(C)(O)C=C[C@]34C)C1CC[C@@H]2O
MolPort-023-299-008 0.61 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-001-740-912 0.61 COC(=O)C1(C)CCCC2(C)C(CCC(C)CC(O)=O)C(=C)CCC12
MolPort-003-800-414 0.61 C[C@@]1(O)CC2C3CC(C=C3)C2[C@@H]1O
MolPort-001-741-466 0.61 CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO
MolPort-035-706-220 0.61 C[C@]12CCCC(=C)[C@@]1(O)C[C@@H](CC2)C(=C)C(O)=O
MolPort-035-706-219 0.61 C[C@]12CCCC(=C)[C@]1(O)C[C@@H](CC2)C(=C)C(O)=O
MolPort-035-705-936 0.61 CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO
MolPort-002-507-478 0.61 C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-003-847-259 0.61 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-039-052-425 0.61 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-382 0.61 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-001-742-390 0.61 C[C@]12CCCC(=C)[C@@H]1C[C@@](O)(CC2)C(=C)C(O)=O
MolPort-028-610-055 0.61 CC1(C)CCCC2(C)C(CC(O)C(=C)C(O)=O)C(=C)CCC12
MolPort-001-740-812 0.61 CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O
MolPort-039-052-703 0.61 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@@]21O)C(=C)C3)C(O)=O
MolPort-019-940-196 0.61 CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-003-849-979 0.61 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-002-509-205 0.61 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-046-761-784 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=C3CC[C@H](O)C4)[C@@H]1CC[C@@H]2O
MolPort-046-690-449 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MolPort-046-693-102 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-002-525-819 0.61 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O
MolPort-046-764-572 0.61 C[C@]12CC[C@@H]3[C@@H](CCC4=C3CC[C@H](O)C4)[C@H]1CC[C@@H]2O
MolPort-002-511-077 0.61 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-044-652-024 0.61 CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-003-987-222 0.61 CC1=C(O)C(=O)CC1
MolPort-044-728-843 0.61 CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-046-793-263 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MolPort-001-794-643 0.61 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-424-108 0.61 CCC(CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(CO)C3CC[C@]12C)C(C)C
MolPort-000-730-189 0.61 CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-003-958-950 0.61 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-005-944-831 0.61 CC12CCCC(=C)C1CC(CC2O)C(=C)C(O)=O
MolPort-002-525-153 0.61 CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)C3CC[C@]12C)C(C)C
MolPort-046-158-542 0.61 C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-517-271 0.61 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MolPort-006-115-819 0.61 C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CCC2=O
MolPort-000-146-137 0.61 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-935 0.61 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-526-176 0.61 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-765-458 0.61 CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-764-560 0.61 CC1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-000-205-540 0.61 CC(O)=C1C(=O)CC(C)(C)CC1=O
MolPort-002-524-345 0.61 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-426-158 0.61 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O
MolPort-003-941-496 0.61 C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-945-145 0.61 C[C@]12CCCC(=C)[C@@H]1[C@@H](O)[C@@H](CC2)C(=C)C(O)=O
MolPort-044-561-253 0.61 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C
MolPort-038-934-350 0.61 [Na+].[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C([O-])=O
MolPort-044-754-142 0.61 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
MolPort-035-785-432 0.61 [Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C(O)=O
MolPort-039-052-451 0.61 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-052-641 0.61 C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-042-675-234 0.61 C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-039-338-606 0.61 CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1=O
MolPort-039-338-097 0.61 C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-002-508-947 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-002-511-922 0.61 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
MolPort-046-153-164 0.61 CC(CCC(O)C(C)(C)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-039-339-016 0.61 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-001-741-219 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-001-569-826 0.61 CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
MolPort-046-153-146 0.61 CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
MolPort-039-338-963 0.61 C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
MolPort-046-153-067 0.61 CC(C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1(O)CC3)C(=O)\C=C(/C)C(C)(C)O
MolPort-044-561-113 0.61 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
MolPort-039-338-665 0.61 CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-594-244 0.61 CC1CC2(O)C(C1O)C(O)C(=C)CCC1C(C=C(C)C2=O)C1(C)C
MolPort-002-509-604 0.61 CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
MolPort-046-418-653 0.61 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](C=C(C)C2=O)C1(C)C
MolPort-002-800-509 0.61 CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
MolPort-046-068-912 0.61 CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-067-789 0.61 CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
MolPort-046-054-510 0.61 CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-000-728-523 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
MolPort-039-052-319 0.61 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
MolPort-044-637-463 0.61 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
MolPort-042-675-426 0.61 COC(=O)C(C)(C)C1CC[C@]2(C)C(CC=C3[C@@H]4[C@](C)(O)[C@H](C)CC[C@@]4(CC[C@@]23C)C(O)=O)[C@@]1(C)CC(O)=O
MolPort-002-911-165 0.61 C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-044-649-713 0.61 COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-044-637-547 0.61 COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
MolPort-035-706-518 0.61 C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
MolPort-001-741-221 0.61 C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
MolPort-021-804-511 0.61 CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
MolPort-008-322-993 0.61 CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-046-702-139 0.61 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
MolPort-046-697-216 0.61 CC(=O)C12CC(C)(C)CC1C=C(C2CC(O)=O)C(O)=O
MolPort-046-693-458 0.61 CC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-009-019-228 0.61 OC(CC1CCCCC1)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-002-507-287 0.61 CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-020-005-740 0.61 C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
MolPort-027-853-691 0.61 CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-020-005-976 0.61 C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-933-631 0.61 C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-006-822-587 0.61 CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-385 0.61 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
MolPort-035-706-393 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@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-020-005-977 0.61 C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-130 0.61 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO
MolPort-046-765-995 0.61 C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]2(O)[C@@H](O)CO
MolPort-006-110-824 0.61 COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
MolPort-003-933-119 0.61 C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-022-878-942 0.61 OCCC1=CCCCC1
MolPort-046-761-778 0.61 CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)C1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-035-789-558 0.61 CC(C)(O)CC1=CCCCC1
MolPort-029-945-682 0.61 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-027-836-194 0.61 CCCCC\C=C(\CCCC)C=O
MolPort-027-835-420 0.61 CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-003-388-175 0.61 CC(C)=C1CC2C3CCC4CCCCC4(C)C3CCC2(C)C1O
MolPort-020-005-760 0.61 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
MolPort-002-560-310 0.61 CC1=CCC(CC1)C=O
MolPort-023-220-754 0.61 CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
MolPort-000-740-021 0.61 CC1CC(C)=CCC1C=O
MolPort-020-005-763 0.61 CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-044-388-915 0.61 CC(=O)CCC=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-006-112-376 0.61 CC(=O)CC1=CCCCC1
MolPort-019-922-772 0.61 CC1=C(C)CC(CC1)C=O
MolPort-001-793-612 0.61 CC1=C(C)CC(C)(CC1)C=O
MolPort-002-509-695 0.61 CC(=O)CC\C=C(\C)CCC1C(C)=CCC2C(C)(C)CCC[C@]12C
MolPort-046-693-376 0.61 CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-004-831-283 0.61 CC1=CCC(CO)CC1
MolPort-046-423-229 0.61 CC(C)=CCCC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](O)C[C@@]21C
MolPort-002-135-314 0.61 CC(O)CC\C=C(/C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-046-153-788 0.61 CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-002-512-003 0.61 C[C@H]1CC(C)=C(C)C[C@H]1C=O
MolPort-000-725-665 0.61 CC1CC(C)=C(C)CC1C=O
MolPort-002-510-446 0.61 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-793-097 0.60 CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-683-754 0.60 C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-003-895-951 0.60 CC1=C(CCC1)C(O)=O
MolPort-046-761-446 0.60 [2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
MolPort-046-765-127 0.60 C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)=O
MolPort-046-793-096 0.60 CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-836-480 0.60 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-002-519-875 0.60 CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-035-394-906 0.60 CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO
MolPort-044-183-418 0.60 [Ca++].CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@]2(C)C\C(C[C@H]12)=C/CCCC([O-])=O.CCCCC[C@H](O)\C=C/[C@H]1[C@H](O)C[C@]2(C)C\C(C[C@H]12)=C\CCCC([O-])=O
MolPort-046-690-128 0.60 CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-003-850-491 0.60 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
MolPort-046-596-253 0.60 CC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-035-706-462 0.60 C[C@@H]1CC[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]2[C@]1(C)O)C(O)=O
MolPort-006-117-087 0.60 CC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-426-227 0.60 C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O.C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)O
MolPort-023-330-944 0.60 C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
MolPort-046-765-424 0.60 [2H]C1([2H])C([2H])(O)[C@H]2[C@@H](CCC3=CC(=O)C=CC23C)[C@@H]2C[C@@H](O)[C@](O)(C(=O)CO)[C@@]12C
MolPort-046-158-507 0.60 C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-003-666-830 0.60 CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
MolPort-002-513-677 0.60 CC1CC(CCC=C(C)C)=CCC1CO
MolPort-046-693-081 0.60 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@H]2O
MolPort-005-944-433 0.60 OC(CC(O)=O)C(CCCCCCCCC=C)C(O)=O
MolPort-001-742-383 0.60 C\C(CCC(O)C(C)(C)O)=C/CCC(C)(O)C=C
MolPort-005-944-829 0.60 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
MolPort-035-775-548 0.60 O=C1C[C@@H]2CC[C@H]1C=C2
MolPort-035-706-320 0.60 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)C(C)(C)O
MolPort-002-508-334 0.60 C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-006-668-526 0.60 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
MolPort-006-110-398 0.60 CC(C)C1CCC(C)=CC1=O
MolPort-002-135-154 0.60 CC1C=CC(C)C(C1C(O)=O)C(O)=O
MolPort-005-944-839 0.60 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
MolPort-046-763-157 0.60 CCCCC(C)(O)C\C=C\[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC
MolPort-006-390-553 0.60 CC1C=CCC(C1C(O)=O)C(O)=O
MolPort-006-115-641 0.60 CCCC1CC(C)=CC(=O)C1
MolPort-046-153-052 0.60 OC(CC(O)=O)C(CCCCCCC=C)C(O)=O
MolPort-006-126-764 0.60 CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
MolPort-009-018-236 0.60 CCCCC(C)(O)C\C=C\[C@H]1C(O)CC(=O)[C@H]1CCCCCCC(=O)OC
MolPort-046-793-306 0.60 CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
MolPort-005-909-357 0.60 CC(C)=CCCC1=CCC(C)(CC1)C=O
MolPort-044-183-375 0.60 [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-001-764-871 0.60 OC12CCC(CC1)C=C2
MolPort-001-790-618 0.60 CC1(C)C2CC1C(C=O)=CC2
MolPort-002-506-951 0.60 CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-046-765-240 0.60 CCCCCCCC\C=C\CCCCCCCC(=O)OCCO
MolPort-042-675-518 0.60 CC\C=C/C\C=C/C(O)C(O)C(O)CCCCCCCC(O)=O
MolPort-044-183-226 0.60 CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=C
MolPort-002-506-910 0.60 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-829-390 0.60 CC1CC(CCC=C(C)C)=CCC1(C)C(C)=O
MolPort-044-183-364 0.60 CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-044-183-373 0.60 [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-046-697-369 0.60 C\C1=C\CC(C)(CO)C(O)C2CC2(C)C(O)CC1
MolPort-003-849-235 0.60 CCCC[C@](C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
MolPort-039-138-913 0.60 CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCCC(O)=O
MolPort-001-739-398 0.60 CCC\C=C\C=C\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO
MolPort-039-138-844 0.60 CCCCC(C)(O)C\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
MolPort-044-561-396 0.60 CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-001-794-306 0.60 CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
MolPort-046-682-364 0.60 O=C1CC2CC[C@H]1C=C2
MolPort-002-501-817 0.60 CC1C=CC[C@H]([C@H]1C(O)=O)C(O)=O
MolPort-009-018-343 0.60 CCCCC(C)(O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(=O)OC
MolPort-000-724-948 0.60 CC1CC(CCC=C(C)C)=CCC1C=O
MolPort-046-761-808 0.60 [2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
MolPort-001-740-574 0.60 CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
MCULE-6569795323 0.60 COCC(=O)CC/C(/C)=C(\C)/C
MCULE-6129970627 0.60 C12C3C(C)C(C)C4C56CC(O)C=CC35C6C1C24
MCULE-4166872703 0.60 CC1CCCC=1C(O)=O
MCULE-7810067739 0.60 O=CC1(COCC1)CC1CC=CC1
MCULE-8887971464 0.60 CC1(C(C=O)(CC2CC=CC2)CCO1)C
MCULE-2663447615 0.60 CC1(C(F)(F)C1)CC1(C(O)=O)CC=CC1
MCULE-6347280691 0.60 OC(C1(CC=CC1)CC1(C#N)CC1)=O
MCULE-2496032129 0.60 OC(C1(CC=CC1)CC1CCOCC1)=O
MCULE-8312923448 0.60 C12CCCC(=O)C=1CC(C(=O)O)CC2
MCULE-6862768146 0.60 OC(C1(CC=CC1)CC1C(F)(F)C1)=O
MCULE-8998480466 0.60 C1(CC=CCC1)C(N)C(=O)O
MCULE-3157582211 0.60 OC(C1(C2C(C#N)CCC2)CC=CC1)=O
MCULE-9107310489 0.60 OC(C1(CCOCC1)CC1CC=CC1)=O
MCULE-4868794833 0.60 O=CC1(COCCC1)CC1CC=CC1
MCULE-4298463614 0.60 O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
MCULE-2246615794 0.60 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-8723675857 0.60 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MCULE-2014291882 0.60 C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
MCULE-1660597451 0.60 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-6336425947 0.60 C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@H]1O)(C)[C@@](O)(C(=O)CO)[C@@H](O)C3)CC2
MCULE-1563230915 0.60 OCC([C@]1([C@@](C[C@@]2([C@@]1(C[C@@]([C@]1([C@]2(CCC2=CC(C=C[C@]12C)=O)[H])[H])(O)[H])C)[H])(O)[H])O)=O
MCULE-9427917092 0.60 C1(CCC=C(C)C)CC(C)C(CC=1)C=O
MCULE-5924936253 0.60 CC1CC(C(C2CCCCC=2)=O)C1
MCULE-9894286158 0.60 O=C(C1CCCCC=1)C1CC2(CCC2)C1
MCULE-9551990259 0.60 CC1=CC(=O)CC(CC)C1
MCULE-6313856149 0.60 CC1CC(C(C2CCCCC=2)O)C1
MCULE-9554247289 0.60 C1CC2(CO)CC(C)(C)CC2(CO)CC=1
MCULE-2750952157 0.60 O=C(C1CCCCC=1)C1C(C2CC2)C1
MCULE-9392368882 0.60 C1=CC(CCC1(CCC)CCC)=O
MCULE-1941485534 0.60 C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
MCULE-2964563648 0.60 C1(C(C)C=CC(C)C1C(O)=O)C(O)=O
MCULE-8100043699 0.60 O=CC1C(/C=C/C=C/CCC)CC(O)C(O)C1=O
MCULE-2363731744 0.60 C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
MCULE-1068654284 0.60 CC(C(C1CCCCC=1)=O)C1CCC1
MCULE-6569061785 0.60 C1C2C(C1CC=C2C=O)(C)C
MCULE-3092137801 0.60 C(/C=C(\C)/CC/C=C(\C)/CCC(O)C(O)(C)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
MCULE-7700432494 0.60 O=C(C1CCCCC=1)C1C2(CC2)C1
MCULE-9490867225 0.60 C12(C)C=CC(C=C1CCC1([H])C2([H])CCC2(C1([H])CCC2(C)O)C)=O
MCULE-6283271359 0.60 [C@H]1(CCCCCCC(=O)OC)C(=O)C[C@@H](O)[C@@H]1C=CC[C@@](C)(O)CCCC
MCULE-2266413616 0.60 C1CC(O)C2(C)CC2C(C(CC=C1C)(CO)C)O
MCULE-2217416730 0.60 C1C(C)C(C(O)=O)(C)C(C(O)=O)CC=1
MCULE-4612727757 0.60 C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
MCULE-9861301536 0.60 C1C(CC(CC=1C)CCC)=O
MCULE-2358765585 0.60 O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
MCULE-4050950999 0.60 CC(CC1CC=CC1)(O)C
MCULE-3188056951 0.60 C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
MCULE-3633249572 0.60 C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
MCULE-7244392169 0.60 C1(=O)C2CCCC=2C(=O)C23CC12CCC3
MCULE-2581880996 0.60 C(C)(C)(O)C(O)CC/C(/C)=C/CCC(C)(O)C=C
MCULE-2841725041 0.60 O=C(C1C2C1COC2)CC1CC=CCC1
MCULE-7323379876 0.60 C1C2(CO)CCC2(CO)CC=C1
MCULE-9290289108 0.60 C1(C)C(=O)C=CC(C(C)C)C1
MCULE-7999733772 0.60 C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
MCULE-2126006986 0.60 C1(C)(C(C)=O)CC=C(CC1C)CC/C=C(\C)/C
MCULE-4923642243 0.60 C1(CO)=C(C)CC2CC1C2(C)C
MCULE-1110457062 0.60 OC(C1CCCCC=1)C1C(C2CC2)C1
MCULE-1243088880 0.60 C1=CC(C)C(C(=O)O)C(C(=O)O)C1
MCULE-8275719671 0.60 C1CC(C)(CCC=1CC/C=C(\C)/C)C=O
MCULE-2979260832 0.60 C1CC2(CO)CCCC2(CO)CC=1
MCULE-7281449678 0.60 C1(CC/C=C(/C)\C)CC(C)C(CC=1)CO
MCULE-5507744017 0.60 C1([C@H](CO)C(=O)[C@H](O)[C@H](O)C1)/C=C/C=C/CCC
MCULE-5078166082 0.60 C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
MCULE-3195811210 0.60 OC1(C=CCCC1)CC1CC=CC1
MCULE-7840184850 0.60 CC1C(C(CC2CC=CCC2)=O)CCO1
MCULE-7174333293 0.60 C1C(C[C@@H](CC=1C)CCC)=O
MCULE-1812806265 0.60 [C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-8411365540 0.60 O=C1[C@@H]2C=C[C@@H](CC2)C1
MCULE-1579293561 0.60 CC/C=C\C/C=C\C(O)C(O)C(O)CCCCCCCC(=O)O
MCULE-5302779679 0.60 CC1OCC(C(CC2CC=CCC2)=O)C1
MCULE-1887138472 0.60 O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-8676134264 0.60 O=C(C1C2OC(CC2)C1)CC1CC=CC1
MCULE-1903986936 0.60 CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
MCULE-2855337345 0.60 C[C@@]12[C@](O)(C)CC[C@H]1[C@@H]1CCC3[C@@](C)([C@H]1CC2)C=CC(=O)C=3
MCULE-9320911552 0.60 CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
MCULE-2546617058 0.60 C=CCCCCCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-7172594390 0.60 C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
MCULE-9033140847 0.60 [C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-4046520863 0.60 [C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-2403352810 0.60 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-6686022329 0.60 C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
MCULE-9454333017 0.60 [C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
MCULE-4339982355 0.60 CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCC(=O)C=3
MCULE-8305742317 0.60 CCC12C(C#C)(O)CCC1C1CCC3C(C1C(=C)C2)CCC(=O)C=3
MCULE-6499205732 0.60 O=C1C=C(CCC2OCCCC2)CC1
MCULE-6805519453 0.60 [C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
MCULE-1537420527 0.60 [C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
MCULE-7933835085 0.60 [C@@]12(C)[C@](O)(CCC1C1C(C(O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-1018439007 0.60 C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
MCULE-2039968402 0.60 C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
MCULE-7079731514 0.60 O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
MCULE-9000594402 0.60 C[C@@H]1[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
MCULE-1900386533 0.60 C1[C@]2([H])[C@@]3([H])C(=C)C[C@@]4(CC)[C@@]([H])(CC[C@]4(C#C)O)[C@]3([H])CCC2=CC(=O)C1
MCULE-6114441516 0.60 COC1C(C(C2CCCCCC=2)=O)C1
MCULE-8107340389 0.60 C12CC(=O)C(C)=C1CC(C(C(=O)O)=C)C(O)CC2C
MCULE-8526293555 0.60 C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
MCULE-9420495436 0.60 O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
MCULE-4706828771 0.60 C12CCC(CC=1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@]2(C)C(CC[C@@]12[H])=O)(OC)OC
MCULE-5998876996 0.60 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-1844358842 0.60 [C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
MCULE-7110535304 0.60 C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
MCULE-9695902470 0.60 C1(C)(C)C(C)=CCC1CC(O)CC(=O)C(C)C(=O)OCC
MCULE-8464956672 0.60 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
MCULE-4386964450 0.60 [C@@H]1(C)[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
MCULE-1244483126 0.60 [C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)[C@H](O)C[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
MCULE-8386752633 0.60 O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
MCULE-6276076551 0.60 C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
MCULE-6144873686 0.60 C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
MCULE-7515900360 0.60 O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1C3CCC(CC=3C[C@@H](C)[C@@H]21)(OC)OC
MCULE-2054566768 0.60 [C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
MCULE-9358636585 0.60 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-5765265358 0.60 CC1C(C(CC2CC=CC2)=O)CCOC1
MCULE-4790948193 0.60 OC(=O)CCCCCCCC(/C=C/C=C/C=C/C(=O)CC)=O
MCULE-7325515313 0.60 C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MCULE-4355376092 0.60 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=C[C@H]1O
MCULE-6447505818 0.60 CCC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-6305971962 0.60 C1[C@H](O)[C@]23C[C@@]42CC[C@]2(C)[C@]([C@@H](CCC(=C)C(C)C)C)([H])CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-9740850124 0.60 O[C@@]1([C@]2([H])[C@@]([C@](CCC(=C2)C(C)C)(C)O)([H])CC1)C
MCULE-7237464277 0.60 CCCCC1(C2C=CC(C2)C1)O
MCULE-1091799520 0.60 OC1([C@@H]2C=C[C@@H](C2)C1)CC1CC=CC1
MCULE-9167476740 0.60 C/C(/C)=C/CCC1(C2C=CC(C2)C1)O
MCULE-4894965151 0.60 [H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1CC2
MCULE-5616063933 0.60 CC(CCC1(C2C=CC(C2)C1)O)(C)C
MCULE-8197081732 0.60 CC(CCC1(C2C=CC(C2)C1)O)C
MCULE-7216680812 0.60 CC(CC(C1(C2C=CC(C2)C1)O)C)C
MCULE-2654426987 0.60 OC1(C2C=CC(C2)C1)CC1CCCC1
MCULE-5041065055 0.60 [C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C=C(C(C)C)CC[C@]2(O)C
MCULE-2519662703 0.60 CC(C1(C2C=CC(C2)C1)O)(C)C
MCULE-1235419293 0.60 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-9092899526 0.60 CC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-1392126977 0.60 CCC(CC1(C2C=CC(C2)C1)O)C
MCULE-7642080407 0.60 C12C=CC3C4C1C(=O)C1C(C4=O)C3C21
MCULE-2244025879 0.60 CCC(C1(C2C=CC(C2)C1)O)CC
MCULE-1143033410 0.60 OC1(C2C=CC(C2)C1)CC1CC=CC1
MCULE-2200261924 0.60 CCCC(C1(C2C=CC(C2)C1)O)C
MCULE-7051793102 0.60 C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-2318177037 0.60 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
MCULE-8078256499 0.60 OC1(C2CCCC2)C2C=CC(C2)C1
MCULE-3872755173 0.60 OC1(C2C=CC(C2)C1)CCC=C
MCULE-3563281112 0.60 CCC(C1(C2C=CC(C2)C1)O)C
MCULE-8668421078 0.60 C/C(/C)=C/CCC1([C@@H]2C=C[C@@H](C2)C1)O
MCULE-3949524970 0.60 C1=C(C(C)C)CC[C@@](C)(O)C2CC[C@](C)(O)C12
MCULE-4729152230 0.60 C12CCC(C(C)CCCC(C)C)C1(C)CCC1=C3CCC(O)CC3(C(O)CC21)C
MCULE-2344630269 0.60 C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-7083384019 0.60 CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-9127936983 0.60 C1C(O)C2(C)CCC(C(C(O)=O)=C)C(O)C2C(=C)C1
MCULE-8765746285 0.60 C1C(O)C2(C)CCC(C(C(O)=O)=C)C(O)C2C(C)(O)C1
MCULE-7535047148 0.60 CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MCULE-4775236455 0.60 CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
MCULE-5384019764 0.60 C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MCULE-5059755813 0.60 C1(C)C2([H])C(O)([H])CCC2([H])C=1
MCULE-6079251175 0.60 C1CC2(C(O)CC(CC2C(C1)(C)O)C(C(=O)O)=C)C
MCULE-8099197121 0.60 C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-9858556969 0.60 [C@]12([H])CC[C@@](C)(O)[C@]1([H])C=C(C(C)C)CCC2=C
MCULE-6358122731 0.60 CC(CC1(C2C=CC(C2)C1)O)C
MCULE-1617847451 0.60 CCC1(C2C=CC(C2)C1)O
MCULE-6263706719 0.60 CC(C1CCC(O)(C)C2CCC(O)(C)C2C=1)C
MCULE-5943346302 0.60 CCCC1(C2C=CC(C2)C1)O
MCULE-3060260292 0.60 CC(C1(C2C=CC(C2)C1)O)C
MCULE-8327721791 0.60 C12CCC(C(C)(C)C1=CCC(=O)O)C2
MCULE-7634595841 0.60 C1CC2(C)C(=O)C3(CC(C=C)(C)CC3O)CCC2C(C(=O)O)(C)C1