| MCULE-5935925259 |
1 |
O1C[C@]2(C=C)C([C@H]([C@@H]([C@@H](OC(=O)C(CO)=C)C2)C(=C)C(OC)=O)O)C(C1=O)=C
|
|
| MolPort-001-740-239 |
1 |
COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C
|
|
| MCULE-9782090212 |
0.94 |
C=CC1(C)CC(OC(=O)C(C(CO)O)=C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-8026370890 |
0.94 |
C=CC1(C)CC(OC(=O)C(C(CO)O)=C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MolPort-006-668-663 |
0.94 |
CC1(CC(OC(=O)C(=C)C(O)CO)C(C(O)C1C(=C)CO)C(=C)C(O)=O)C=C
|
|
| MolPort-006-668-664 |
0.94 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)CO)C=C
|
|
| MolPort-001-741-705 |
0.93 |
CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@H]12)C(=C)CO
|
|
| MolPort-001-740-235 |
0.92 |
COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C
|
|
| MolPort-006-668-666 |
0.92 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(C)C)C=C
|
|
| MCULE-4824022658 |
0.91 |
C1C(O)[C@]2([H])C(=C)C(=O)O[C@]2([H])C(C(C)=C)C1(C=C)C
|
|
| MCULE-3168594210 |
0.91 |
O[C@H]1C[C@@](C)(C=C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@@H]21
|
|
| MolPort-001-740-741 |
0.91 |
C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C
|
|
| MolPort-039-338-576 |
0.91 |
CC(=C)C1[C@H]2OC(=O)C(=C)[C@H]2C(O)CC1(C)C=C
|
|
| MCULE-9180779667 |
0.90 |
C=CC1(C)CC(OC(=O)C(C(COC(=O)C)O)=C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MolPort-006-668-457 |
0.90 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)COC(C)=O)C=C
|
|
| MolPort-006-668-409 |
0.89 |
COC(=O)C(=C)C1C(O)C2C(=O)CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO
|
|
| MCULE-3919243085 |
0.89 |
C1CC(=O)C2C(O)C(C(=C)C(=O)OC)C(OC(=O)C(C(CO)O)=C)CC2(C)C1O
|
|
| MolPort-001-741-258 |
0.88 |
OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MCULE-5051144608 |
0.88 |
C1(=C)[C@@]2([H])[C@]([H])(C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)OC(=O)C(CO)=C)C[C@@H]1O
|
|
| MCULE-2704123094 |
0.88 |
C1CC(C=O)C2C(O)C(C(=C)C(=O)OC)C(OC(=O)C(C(CO)O)=C)CC2(C)C1O
|
|
| MCULE-7957245335 |
0.88 |
C1C(O)C2(C)CC(OC(=O)C(=C)C(O)CO)C(C(=C)C(=O)OC)C(O)C2C(O)(CO)C1
|
|
| MolPort-006-668-369 |
0.88 |
COC(=O)C(=C)C1C(O)C2C(CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO)C=O
|
|
| MolPort-019-937-178 |
0.88 |
COC(=O)C(=C)C1C(O)C2C(O)(CO)CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO
|
|
| MolPort-001-741-249 |
0.87 |
O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C
|
|
| MCULE-7751199326 |
0.85 |
C1CC(C=O)C2C3OC(=O)C(=C)C3C(O)CC2(C)C1O
|
|
| MolPort-006-668-672 |
0.85 |
CC12CC(O)C3C(OC(=O)C3=C)C1C(CCC2O)C=O
|
|
| MCULE-3711572146 |
0.84 |
[C@]123[C@@H](C)CCC[C@]1(C)C[C@@]1([C@@]([H])(C(=C)C(O1)=O)[C@@H]2O3)[H]
|
|
| MCULE-8523582209 |
0.84 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MolPort-039-052-411 |
0.84 |
C[C@@]12CC[C@H]3O[C@]3(C)C[C@@H]3OC(=O)C(=C)[C@H]3C[C@@H]1O2
|
|
| MolPort-021-804-707 |
0.84 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\CO)=C/COC(C)=O)C=C
|
|
| MCULE-6118010482 |
0.83 |
[C@]12(C)C(O1)C[C@@]1([H])C(=C)CC[C@@H]3[C@H](OC(C3=C)=O)[C@@]21[H]
|
|
| MolPort-002-509-243 |
0.83 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CCC1=C
|
|
| MolPort-006-668-667 |
0.82 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C
|
|
| MolPort-006-668-458 |
0.82 |
CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO
|
|
| MolPort-035-705-881 |
0.82 |
CC(=O)O[C@H]1C[C@@H]2[C@]3([C@H](O)[C@@H]1C(=C)C3=O)[C@H](O)C[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C
|
|
| MolPort-035-705-878 |
0.82 |
CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@@](O)(C[C@H](OC(C)=O)[C@@H]21)C(=C)C3=O
|
|
| MCULE-1198051930 |
0.82 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-5311242901 |
0.82 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-6061453971 |
0.82 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)[C@H](O)C[C@]2([H])[C@@](COC(=O)C)(C)C1)=O)=C)C
|
|
| MCULE-4426803651 |
0.82 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
|
|
| MCULE-4077568356 |
0.82 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
|
|
| MCULE-3773780560 |
0.82 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
|
|
| MolPort-023-274-350 |
0.82 |
C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-002-746-632 |
0.82 |
CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
|
|
| MolPort-029-943-133 |
0.82 |
CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
|
|
| MolPort-002-524-486 |
0.81 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@H](O)C[C@H](OC(C)=O)[C@@H]12
|
|
| MolPort-039-338-339 |
0.81 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@H]12
|
|
| MCULE-2167149407 |
0.81 |
[C@@]12([H])[C@@H](OC(=O)C)C[C@H](O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
|
|
| MCULE-4724847409 |
0.81 |
[C@@]12(C)[C@H](O)C[C@H](OC(C)=O)[C@@]1([H])[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O
|
|
| MolPort-019-937-286 |
0.81 |
OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MCULE-3027295931 |
0.80 |
C12C3OC(=O)C(=C)C3CCC(=C)C1CC(OC(=O)C)C2=C
|
|
| MCULE-8223475648 |
0.80 |
C1(=O)C[C@@]2(C(=C)C(=O)O[C@]2([H])C[C@@]1(O)C)[H]
|
|
| MolPort-019-937-028 |
0.80 |
CC(=O)OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MolPort-039-338-420 |
0.80 |
C[C@]1(O)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
|
|
| MolPort-002-526-830 |
0.79 |
CC1C[C@@H]2OC(=O)C(=C)[C@H]2C(O)[C@]2(C)[C@H](O)C[C@H](O)[C@@H]12
|
|
| MolPort-002-513-613 |
0.79 |
C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)C(=C)[C@H]4C[C@@]13O2
|
|
| MolPort-035-706-168 |
0.79 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)CC[C@@H]12
|
|
| MolPort-002-524-702 |
0.79 |
C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](C[C@@]3(C)[C@H](O)CC[C@@](C)(O)C13)OC(=O)C2=C
|
|
| MolPort-035-705-877 |
0.79 |
CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@H]13)C(=O)C2=C
|
|
| MCULE-1501922749 |
0.79 |
[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])C(C)C[C@@H]1OC(=O)C(=C)[C@H]1C2O
|
|
| MCULE-9718510983 |
0.79 |
[C@@]123C[C@@]4([H])[C@](C[C@@]1(C)CCC[C@]2(O3)C)([H])OC(=O)C4=C
|
|
| MCULE-4347835968 |
0.79 |
[C@@]12([H])CC[C@H](O)[C@@]1(C)[C@@H](O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
|
|
| MCULE-2563487662 |
0.79 |
[C@]12(C)[C@H](O)CC[C@@](C)(O)C1[C@H]([C@@H]1C(C(=O)O[C@H]1C2)=C)OC(=O)C(C)=CC
|
|
| MCULE-8011378409 |
0.79 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)CC[C@]2([H])[C@@](CO)(C)C1)=O)=C)C
|
|
| MCULE-4840887999 |
0.79 |
C1(=O)C([C@@]2([C@@](C)(CC1)[C@@]1(CC[C@@H]3[C@@H](OC(=O)C)[C@]1(C(=O)C3=C)[C@H](O)C2)[H])[H])(C)C
|
|
| MolPort-001-742-428 |
0.79 |
C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3CC1C(=C)CC[C@H]2O
|
|
| MolPort-019-937-239 |
0.79 |
C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O
|
|
| MolPort-046-426-929 |
0.79 |
CC(=O)OC1C2CCC3C1(C(O)CC1C(C)(C)C(=O)CCC31C)C(=O)C2=C
|
|
| MolPort-046-418-682 |
0.79 |
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1([C@H](O)C[C@@H]1C(C)(C)C(=O)CC[C@@]31C)C(=O)C2=C
|
|
| MCULE-7580636459 |
0.78 |
[C@]12(C)[C@@H](O)CCC(=C)C1COC2=O
|
|
| MolPort-039-338-691 |
0.78 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](C=O)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O
|
|
| MolPort-039-338-774 |
0.78 |
CC(=O)OC[C@H]1C(C)(C)CC[C@@H](OC(C)=O)[C@@]11COC(=O)[C@]23CC(C[C@@H](OC(C)=O)[C@H]12)C(=C)C3=O
|
|
| MolPort-002-515-776 |
0.77 |
C[C@H]1[C@@H]2[C@@H](O)C[C@@H](O)[C@@]2(C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)C2=C)[C@@H]1O
|
|
| MolPort-046-418-659 |
0.77 |
C[C@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]3[C@@]1(CC[C@@]3(C)O)O2
|
|
| MCULE-3200180671 |
0.77 |
[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])[C@H](C)[C@H]([C@@H]1OC(=O)C(=C)[C@H]1[C@H]2OC(C)=O)O
|
|
| MCULE-9466721629 |
0.77 |
C[C@]12CC[C@@]3([H])C(=C)C(=O)O[C@]3([H])[C@@]3([H])[C@@](O)(C)CC[C@]13O2
|
|
| MCULE-3423268424 |
0.77 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-3420584861 |
0.77 |
[C@@H]12OC1(C)C[C@@H](OC(=O)C)[C@H]1C(=C)C(=O)O[C@@H]1[C@@H]1O[C@]1(C)CC2
|
|
| MolPort-046-761-037 |
0.77 |
C[C@H]1CC[C@H](O)[C@@H]2[C@@H](O)[C@@]3(C[C@]12C)C(=C)COC3=O
|
|
| MolPort-039-052-526 |
0.77 |
CC(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-021-804-724 |
0.77 |
C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
|
|
| MolPort-044-723-209 |
0.77 |
CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-052-446 |
0.77 |
CC(=O)O[C@@H]1C[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-006-822-624 |
0.76 |
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
|
|
| MolPort-019-992-810 |
0.76 |
C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C
|
|
| MolPort-039-338-812 |
0.76 |
CC(=O)OC[C@@H]1C(C)(C)CC[C@H](OC(C)=O)[C@]11COC(=O)[C@@]23C[C@H](C[C@H](O)[C@@H]12)C(=C)C3=O
|
|
| MolPort-039-338-770 |
0.76 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O
|
|
| MolPort-023-276-452 |
0.76 |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O.CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O
|
|
| MolPort-006-822-549 |
0.76 |
CCCCCCCCC1OC(=O)C(=C)C1C(O)=O
|
|
| MolPort-009-018-948 |
0.76 |
CCCCCCCC[C@H]1OC(=O)C(=C)C1C(O)=O
|
|
| MolPort-005-933-439 |
0.76 |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O
|
|
| MCULE-6609866523 |
0.76 |
[C@@H]12[C@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-2410723097 |
0.76 |
[C@]12([H])C(=C)CC[C@@]1([H])C(=C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-3657815830 |
0.76 |
[C@@H]12[C@@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-1084105274 |
0.76 |
O1C(C(=C)[C@H]2CCC(=C)[C@H]3CCC(=C)[C@H]3[C@H]12)=O
|
|
| MCULE-4529272492 |
0.76 |
O1C(=O)C(=C)[C@H](C(O)=O)[C@H]1CCCCCCCC
|
|
| MCULE-3406017340 |
0.76 |
O1C(=O)C(=C)C(C(O)=O)C1CCCCCCCC
|
|
| MCULE-3343469308 |
0.76 |
C1[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MolPort-039-337-161 |
0.76 |
CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-001-742-454 |
0.75 |
CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
|
|
| MolPort-002-527-443 |
0.75 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
|
|
| MolPort-039-338-813 |
0.75 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@H](CC[C@@H]12)C(=C)C3=O
|
|
| MCULE-8726454334 |
0.75 |
[C@@]12(C)[C@@H](O)CC=C(C)[C@@]1([H])[C@H]1[C@H](C(C(=O)O1)=C)[C@H](O)C2
|
|
| MCULE-2088102696 |
0.75 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-9964052623 |
0.75 |
C1(=O)O[C@@H]2C(C[C@@]3([C@]([H])(CC[C@@]3(C)O)C(=C)C2)[H])C1=C
|
|
| MCULE-7138852957 |
0.75 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-9495313349 |
0.75 |
[C@@]12(C)C(=O)CC[C@@]1(O)[C@@H](C)CC[C@]1([H])[C@@]2([H])OC(C1=C)=O
|
|
| MCULE-4045639684 |
0.75 |
C12(C)C(=O)CCC1(O)C(C)CCC1C2OC(C1=C)=O
|
|
| MCULE-8687752377 |
0.75 |
O=C(O)[C@H]1[C@@H](OC(=O)C1=C)CCC
|
|
| MolPort-001-742-436 |
0.75 |
C[C@@]1(O)CC[C@H]2[C@H]1CC1[C@H](CC2=C)OC(=O)C1=C
|
|
| MolPort-002-528-365 |
0.75 |
CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
|
|
| MolPort-010-969-190 |
0.75 |
CC1CCC2C(OC(=O)C2=C)C2(C)C(=O)CCC12O
|
|
| MolPort-044-183-225 |
0.75 |
CCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O
|
|
| MolPort-046-158-472 |
0.74 |
C\C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O
|
|
| MolPort-046-761-510 |
0.74 |
CC12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@](O)(CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5O
|
|
| MolPort-002-512-334 |
0.74 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-010-969-189 |
0.74 |
CC1C(O)C2C(CC(C)=C1CCCOC(C)=O)OC(=O)C2=C
|
|
| MCULE-3998592213 |
0.74 |
C123CCC(O)C(C(=O)O1)(C)C2([H])C(C12CC(C(C1)(O)CCC23[H])=C)C(=O)O
|
|
| MCULE-7304039848 |
0.74 |
C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-8316292329 |
0.74 |
C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-1298920669 |
0.74 |
C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-3481914833 |
0.74 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
|
|
| MCULE-3712584936 |
0.74 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
|
|
| MolPort-039-338-150 |
0.74 |
CO[C@@]12CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]3[C@@H](C[C@@H]1C)OC(=O)C3=C)O2
|
|
| MolPort-001-742-441 |
0.73 |
C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)C(\COC(=O)C(\C)=C\CO)=C\CO)C1[C@@H]2OC(=O)C1=C
|
|
| MolPort-002-535-603 |
0.73 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-010-969-195 |
0.73 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-035-705-879 |
0.73 |
CC(=O)O[C@H]1C[C@@H]2C(C)(C)[C@H](C[C@H](OC(C)=O)[C@@]2(C)[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H]3C[C@]12C(=O)C3=C)OC(C)=O
|
|
| MolPort-046-761-512 |
0.73 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@H](O)[C@@H]1O)OC2=O)C(=C)C5
|
|
| MolPort-002-513-483 |
0.73 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-001-740-677 |
0.73 |
CC(=O)OCC1(O)C2CCC(=C)C3CC(O)C(=C)C3C2OC1=O
|
|
| MolPort-039-338-357 |
0.73 |
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O
|
|
| MCULE-3483169056 |
0.73 |
[C@H]12OC(C(=C)C1[C@@H](CC(=C)[C@]1([H])CC(=O)[C@@H](C)[C@]21[H])OC(=O)/C(=C/CO)/COC(=O)/C(/C)=C/CO)=O
|
|
| MCULE-2320096475 |
0.73 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-8746775494 |
0.73 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-6179991618 |
0.73 |
C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H]
|
|
| MCULE-6400529160 |
0.73 |
C1CC(=C)C2C(C3C1C(O)(COC(=O)C)C(=O)O3)C(C(O)C2)=C
|
|
| MCULE-4079562606 |
0.73 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(C)=C)[C@H](OC1=O)[C@H]2O
|
|
| MCULE-5499763478 |
0.73 |
[C@@]12(C(C)(O)[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@H]1C)CCC(=O)O2
|
|
| MCULE-7238325614 |
0.73 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H]
|
|
| MCULE-3568270570 |
0.73 |
C12C(O1)(C)CCC1([H])C(C)CCC3C(C(=O)OC231)=C
|
|
| MCULE-1483617312 |
0.73 |
[C@H]12[C@@](O1)(C)CC[C@@]1([H])[C@H](C)CC[C@H]3C(C(=O)O[C@@]231)=C
|
|
| MCULE-4238406488 |
0.73 |
C1C[C@@]2([C@@]3([C@@H](CC[C@H]2C)C(=C)C(=O)O3)[C@@H]2O[C@]12C)[H]
|
|
| MolPort-005-944-608 |
0.73 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
|
|
| MolPort-001-741-128 |
0.73 |
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]11CCC(=O)O1
|
|
| MolPort-035-668-921 |
0.73 |
C[C@@H]1CCC2C(=C)C(=O)OC22[C@@H]3O[C@]3(C)CC[C@@H]12
|
|
| MolPort-002-507-302 |
0.73 |
C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
|
|
| MolPort-039-052-522 |
0.73 |
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H]([C@@H]2C(C)=C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]12C
|
|
| MolPort-039-338-145 |
0.73 |
CC(=O)O[C@]12CO[C@@H]3[C@H]4OC(=O)[C@@H]([C@@H]4C(C)=C)[C@](O)([C@H]4O[C@@H]14)[C@]23C
|
|
| MolPort-006-668-381 |
0.72 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C(OC(=O)C(C)=C)[C@@]2(C)[C@H]1C=CC2=O
|
|
| MolPort-044-561-384 |
0.72 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
|
|
| MolPort-023-274-354 |
0.72 |
CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
|
|
| MolPort-027-853-727 |
0.72 |
C[C@H]1C[C@@H]2O[C@]11CC[C@H](O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O
|
|
| MolPort-023-220-684 |
0.72 |
CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(C)=O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]13)C(=O)C2=C
|
|
| MCULE-4463783872 |
0.72 |
[C@@]12(C)[C@@]3(OC(=O)C)CO[C@@H]1[C@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31
|
|
| MCULE-9197885325 |
0.72 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(C)=C)[C@H](OC1=O)[C@H]2OC(C)=O
|
|
| MCULE-1873003390 |
0.72 |
C12(CC34C(C5C(CCC3(C)O)C(C(=O)O5)=C)C1(C)C=C4)C(=O)OC1C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21
|
|
| MCULE-3117365017 |
0.72 |
CC1[C@@H]2[C@H]3OC(=O)[C@]4([C@@]5(C)[C@H]6[C@@H]7OC(=O)C(=C)[C@@H]7CC[C@](O)(C)[C@@]6(C=C5)C4)[C@@H]3[C@@H](OC(C)=O)C[C@](O)(C)[C@@H]2CC=1
|
|
| MCULE-4155630515 |
0.72 |
[C@@H]1([C@@]2([H])[C@](C)(C(OC(=O)C(=C)C)[C@@]3(C(=C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-3293161796 |
0.72 |
[C@@]12(C)C(=O)C=C[C@@]1([H])[C@H](C)C[C@@]1([H])OC(=O)C(=C)[C@@]1([H])[C@@H]2O
|
|
| MCULE-6204160184 |
0.72 |
[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CC[C@@H]2O
|
|
| MCULE-2046245375 |
0.72 |
C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C
|
|
| MCULE-2203626367 |
0.72 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-4115143726 |
0.72 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-7864191553 |
0.72 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-5398302587 |
0.72 |
[C@]12([H])[C@](CCl)(O)[C@H](C[C@@]1([H])C(=C)C[C@H](OC(=O)C(C)=C)[C@H]1C(C(=O)O[C@H]21)=C)O
|
|
| MCULE-2755410519 |
0.72 |
C12(O)C(=C)CCC(O)C1(C)CCC1C(C(=O)OC21)C
|
|
| MCULE-2779552409 |
0.72 |
C1(C2(C)C(CC(OC(C)=O)C3(C4C(=O)OC(C)C(=O)C4(C)C(=C)CC23)C)C(OC(C1)=O)(C)C)O
|
|
| MolPort-039-338-340 |
0.72 |
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-029-943-098 |
0.72 |
CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
|
|
| MolPort-044-754-102 |
0.72 |
CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-029-943-083 |
0.72 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-002-524-576 |
0.72 |
CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-790-483 |
0.72 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-046-158-516 |
0.72 |
C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-035-705-883 |
0.72 |
CC1(C)CCC[C@]2(COC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@@H]23)C(=C)C4=O)[C@@H]1C=O
|
|
| MolPort-007-549-135 |
0.72 |
CC1C2CCC3(C)C(O)CCC(=C)C3(O)C2OC1=O
|
|
| MolPort-044-179-483 |
0.72 |
C[C@H]1C2CC[C@@]3(C)[C@H](O)CCC(=C)[C@]3(O)[C@H]2OC1=O
|
|
| MolPort-039-052-444 |
0.72 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-006-668-187 |
0.72 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C3CC(=C)C2(C)C1=O)C(O)CC(=O)OC4(C)C)OC(C)=O
|
|
| MolPort-046-761-513 |
0.72 |
C[C@]12[C@H]3O[C@H]3C[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-001-741-116 |
0.71 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(=O)C(C)=C)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12
|
|
| MolPort-001-741-114 |
0.71 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12
|
|
| MolPort-039-052-517 |
0.71 |
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C
|
|
| MolPort-023-274-351 |
0.71 |
CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13
|
|
| MolPort-046-703-034 |
0.71 |
C=C1CC2(CCCCC2)OC1=O
|
|
| MolPort-003-940-355 |
0.71 |
CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MCULE-1897312553 |
0.71 |
[C@@]12(C)[C@@H](OC(C)=O)[C@@H](O)[C@]3([H])[C@@](C)([C@@]1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C
|
|
| MCULE-8356623115 |
0.71 |
[C@H]1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@H]([C@@](C([C@H]2O[C@@H]12)=O)(C)O)OC(C(=C)C)=O)C
|
|
| MCULE-3122157928 |
0.71 |
[C@H]1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]([C@@H](OC(C)=O)[C@](C)(C([C@H]2O[C@@H]12)=O)O)OC(=O)C(=C)C)C
|
|
| MCULE-9672207738 |
0.71 |
O1[C@]2([H])[C@@]3([H])C(C)=CC[C@@]43O[C@]4(C)CC[C@@]2([H])C(=C)C1=O
|
|
| MCULE-1451397208 |
0.71 |
[C@@]12(C)[C@@]3(O)CO[C@@H]1[C@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31
|
|
| MCULE-4340391803 |
0.71 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1
|
|
| MCULE-7361304189 |
0.71 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-9408406006 |
0.71 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-1339344349 |
0.71 |
C1(C)(C(O)CC(=O)OC)C2CC(=C)C3(C)C(=O)C(C)OC(=O)C3C2(C)C(OC(=O)C)CC1C(O)(C)C
|
|
| MCULE-7490014751 |
0.71 |
CC1([C@@H]2[C@@H]([C@@H]([C@@]3([C@@](O)([C@@]2(C)[C@@H](O)CC1)C(=O)C[C@@](C=C)(C)O3)C)O)OC(=O)C)C
|
|
| MCULE-7007682454 |
0.71 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)[C@]1([H])CC(=O)[C@@H]2O
|
|
| MCULE-7605717253 |
0.71 |
C1CC2(C)C(CC(CC2OC(CC(C)CC)=O)C(C(=O)O)=C)C(C1)=C
|
|
| MCULE-2873628166 |
0.71 |
[C@@]12([H])CC[C@H](O)[C@@]1(C)C[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
|
|
| MCULE-3993197405 |
0.71 |
[C@@]12(C)C(=O)CC[C@@]1([H])[C@H](C)C[C@H]1[C@H](C2)C(=C)C(O1)=O
|
|
| MCULE-2182684633 |
0.71 |
CC(OC1C2(C)C(C(CC(C=C)(O2)C)=O)(O)C2(C)C(C(CCC2O)(C)C)C1O)=O
|
|
| MCULE-7944691209 |
0.71 |
C1[C@H](O)[C@@]2([C@@]3(O)C(=O)C[C@@](C=C)(C)O[C@]3(C)[C@@H](OC(C)=O)[C@@H](O)[C@@]2([H])C(C)(C)C1)C
|
|
| MolPort-027-853-725 |
0.71 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C[C@@H]12
|
|
| MolPort-019-937-225 |
0.71 |
CCC(C)CC(=O)OC1CC(CC2C(=C)CCCC12C)C(=C)C(O)=O
|
|
| MolPort-039-338-326 |
0.71 |
C\C=C(\C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O
|
|
| MolPort-035-706-167 |
0.71 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12
|
|
| MolPort-001-742-423 |
0.71 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O
|
|
| MolPort-046-762-527 |
0.71 |
CC(=O)O[C@H]1[C@@H](O)[C@@H]2C(C)(C)CC[C@@H](O)[C@]2(C)[C@]2(O)C(=O)CC(C)(O[C@]12C)C=C
|
|
| MolPort-006-168-487 |
0.71 |
CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C2(O)C(=O)CC(C)(OC12C)C=C
|
|
| MolPort-003-983-766 |
0.71 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)C2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-002-493-717 |
0.71 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-042-675-451 |
0.70 |
CC(C)C1CCC2(O)COC(=O)C2C1C(O)C(=C)C(O)=O
|
|
| MolPort-001-740-303 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1C(=C)[C@@H]2C[C@@]11CC[C@@H]3[C@@](C)(CCC[C@@]3(C)[C@]1(O)CC2)C(O)=O
|
|
| MolPort-039-338-537 |
0.70 |
C[C@H](CCCOC(C)=O)C1=C(C)CC2OC(=O)[C@]3(C[C@@]45C(OC(C)=O)[C@@H]3C(C)=C4C[C@H]3[C@H](C[C@@H]5C)OC(=O)C3=C)C2[C@@H]1O
|
|
| MolPort-046-790-345 |
0.70 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
|
|
| MolPort-039-338-693 |
0.70 |
CC(=O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2[C@@H](O)[C@]31C(=O)C2=C
|
|
| MolPort-039-338-775 |
0.70 |
CC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]14CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]4OC(C)=O)C(=O)C2=C
|
|
| MCULE-5323981543 |
0.70 |
C1C2(O)COC(=O)C2C(C(O)C(=C)C(=O)O)C(C(C)C)C1
|
|
| MCULE-9544967893 |
0.70 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-5711398890 |
0.70 |
C1C[C@@]2([C@@]([H])([C@@](C1)(C(O)=O)C)CC[C@@]13C[C@@](CC[C@@]21O)([H])C(=C)[C@@H]3OC(=O)/C(/C)=C\C)C
|
|
| MCULE-1950814728 |
0.70 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-4558102565 |
0.70 |
O(C1C(=C)CC(=O)C2OC2(C)CC2OC(=O)C(=C)C2C1O)C(/C(/C)=C\C)=O
|
|
| MCULE-1442347162 |
0.70 |
[C@]12(C)COC(C[C@]1([H])CCC2=C)=O
|
|
| MCULE-5065272092 |
0.70 |
C12(C)COC(CC1([H])CCC2=C)=O
|
|
| MCULE-5879866289 |
0.70 |
CC(CCC(=O)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C)C
|
|
| MCULE-3845894301 |
0.70 |
C1[C@@H](O)[C@]23[C@]4([H])CC[C@H]5C(C([C@@]4([C@@H]5O)C(OC2)(O)[C@@H](O)[C@]3([H])[C@@](COC(=O)C)(C)C1)=O)=C
|
|
| MCULE-6599042408 |
0.70 |
[C@@]12(C)[C@@H](O)[C@H](CC1[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)O
|
|
| MolPort-029-942-982 |
0.70 |
C\C=C(\C)C(=O)OC1C(O)C2C(CC3(C)OC3C(=O)CC1=C)OC(=O)C2=C
|
|
| MolPort-039-052-431 |
0.70 |
CC(=O)OC[C@]1(C)CC[C@@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12[C@H](O)[C@@H](CC[C@@H]31)C(=C)C2=O
|
|
| MolPort-046-196-804 |
0.70 |
CC1(C)CCC(O)C2(C)C1C(O)C(OC(=O)CCC(O)=O)C1(C)OC(C)(CC(=O)C21O)C=C
|
|
| MolPort-035-706-493 |
0.70 |
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MolPort-039-338-771 |
0.70 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
|
|
| MolPort-039-338-772 |
0.70 |
CC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]14CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]4O)C(=O)C2=C
|
|
| MolPort-035-705-900 |
0.70 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
|
|
| MolPort-001-742-424 |
0.70 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12
|
|
| MolPort-038-386-083 |
0.69 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5
|
|
| MolPort-039-052-514 |
0.69 |
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@@H]2[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MolPort-006-668-662 |
0.69 |
COC(=O)C(=C)C1C(O)CC(C)(C=C)C(C1O)C(=C)CO
|
|
| MolPort-044-559-903 |
0.69 |
CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-005-945-004 |
0.69 |
CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
| MolPort-001-742-430 |
0.69 |
CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
| MolPort-035-706-212 |
0.69 |
CC12CC[C@@H]3[C@H](OC(=O)C3(C)C)C(=C)CCC1O2
|
|
| MolPort-006-668-351 |
0.69 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MCULE-1480212854 |
0.69 |
C123C(O)C(O)C(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
|
|
| MCULE-2901288503 |
0.69 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-7689957843 |
0.69 |
C=CC1(C)CC(O)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-7361919999 |
0.69 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-4508036866 |
0.69 |
[C@]12(C)C[C@H]3OC(C(=C)[C@H]3C[C@]1([C@]2([H])CCC(C)=O)[H])=O
|
|
| MCULE-6570626188 |
0.69 |
C1(C(O[C@]2([H])C[C@]3([C@@]([H])(C[C@@]21[H])[C@]3([H])CCC(O)C)C)=O)=C
|
|
| MCULE-7284631582 |
0.69 |
O=C1C(=C)[C@@]2([H])C[C@@]3([C@@](C[C@@]2([H])O1)(C)[C@H]3CCC(=O)C)[H]
|
|
| MCULE-9728345441 |
0.69 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@]2(C)CC1
|
|
| MCULE-2907347364 |
0.69 |
CC(OC1C23C(C(O)C4C(C)(C)C5CC(=O)C4(CO5)C2CCC(C3)C1=C)=O)=O
|
|
| MCULE-5499340037 |
0.69 |
CC(=O)O[C@H]1[C@@]23C(=O)[C@@H](O)[C@]4([H])C(C)(C)[C@@]5([H])CC(=O)[C@@]4(CO5)[C@]2([H])CC[C@@]([H])(C1=C)C3
|
|
| MCULE-3429356119 |
0.69 |
CC1([C@H]2CC(=O)[C@]3(CO2)[C@@H]1[C@@H](C([C@]12[C@H](OC(=O)C)C(=C)[C@@H](CC[C@H]13)C2)=O)O)C
|
|
| MCULE-6732636598 |
0.69 |
[H]Cl.CC(CCC(=O)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C)C
|
|
| MCULE-7949052065 |
0.69 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-7668130081 |
0.69 |
[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CCC2=O
|
|
| MCULE-8432569167 |
0.69 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-9072555005 |
0.69 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-2089176275 |
0.69 |
C1C=C(C[C@H](OC(=O)C(CO)=C)[C@@H]2[C@H](OC(=O)C2=C)C=C(CO)C1)C
|
|
| MCULE-4351037464 |
0.69 |
C1(=O)[C@@](O)(C)C[C@@H]([C@@H]2[C@H](OC(=O)C2=C)C=C(C)C(O)C1)OC(=O)C(C)=C
|
|
| MolPort-039-052-438 |
0.69 |
CC(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-028-754-172 |
0.69 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O
|
|
| MolPort-003-941-087 |
0.69 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@H]2C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-039-338-690 |
0.69 |
CC(=O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2C[C@]31C(=O)C2=C
|
|
| MolPort-046-764-837 |
0.69 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-005-944-878 |
0.69 |
C\C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)C(C)[C@@H]12
|
|
| MolPort-019-931-768 |
0.69 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MolPort-039-136-574 |
0.69 |
OC(=O)C12CCC(CC1)(OC2)C=C
|
|
| MolPort-046-761-036 |
0.69 |
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-101-234 |
0.69 |
C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-233 |
0.69 |
C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-001-740-994 |
0.69 |
CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-001-741-296 |
0.69 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
|
|
| MolPort-027-853-726 |
0.69 |
C[C@H]1C[C@@H]2O[C@]11CCC(=O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O
|
|
| MolPort-038-386-039 |
0.69 |
C[C@@]12CCC[C@]3(CO)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3
|
|
| MolPort-039-338-773 |
0.68 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
|
|
| MolPort-046-158-429 |
0.68 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
|
|
| MolPort-039-338-689 |
0.68 |
CC1(C)[C@H]2[C@H](O)OC[C@@]22[C@H](C[C@@H]1O)OC(=O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3=O
|
|
| MolPort-001-742-636 |
0.68 |
C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-039-338-617 |
0.68 |
CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-086 |
0.68 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-087 |
0.68 |
CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-088 |
0.68 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-001-740-716 |
0.68 |
OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O
|
|
| MolPort-029-943-084 |
0.68 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-005-944-071 |
0.68 |
CC1OC(=O)C23C(=C)C(C)(CC4C2(C)CCC2C(C)(C)C(=O)C=CC42C)OC(=O)C13O
|
|
| MolPort-038-386-084 |
0.68 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5
|
|
| MCULE-5500763468 |
0.68 |
C1C[C@@]2(C)[C@]3([H])CC[C@H]4C(=C)C[C@@]3(C4)[C@@H](O)[C@@H]3OC(=O)[C@@](CO)([C@]23[H])C1
|
|
| MCULE-6591915280 |
0.68 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)CC(C)CC)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1031631524 |
0.68 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-1089229934 |
0.68 |
C/C=C(/C(O[C@H]1[C@H]2C(C(O[C@@H]2C=C(C)[C@@H](O)C[C@H]2O[C@]2(C)C1)=O)=C)=O)\C
|
|
| MCULE-9998977190 |
0.68 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1326219832 |
0.68 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MCULE-9705843453 |
0.68 |
C12(C)OC(=O)C3(C(OC(C3(C1=C)C1(C(C2)C2(C)C=CC(=O)C(C)(C)C2CC1)C)=O)C)O
|
|
| MCULE-4831133913 |
0.68 |
C123C(O)CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
|
|
| MCULE-5455459863 |
0.68 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2=C(C)C1
|
|
| MCULE-7034575967 |
0.68 |
[C@]12(C(C)(O)CC(OCC)=O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-4523943869 |
0.68 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-6504048226 |
0.68 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-1338496475 |
0.68 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-7618445658 |
0.68 |
C1C=C(C)C[C@H]([C@H]2C(=C)C(O[C@@H]2C=C(C)[C@H]1OC(=O)C)=O)OC(=O)/C(/CO)=C/CO
|
|
| MCULE-7181833804 |
0.68 |
C1C=C(C[C@@H]([C@@H]2[C@H](OC(C2=C)=O)C=C(CO)C1)OC(=O)C(=C)C(CO)O)C
|
|
| MCULE-3739678215 |
0.68 |
C1C(O)C2(C)CC(O)C(C(=C)C(=O)OC)C(O)C2C(=O)C1
|
|
| MCULE-4671071406 |
0.68 |
C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)C1=C
|
|
| MCULE-1028193763 |
0.68 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-8750855908 |
0.68 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-3521793580 |
0.68 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-9485946749 |
0.68 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MolPort-019-937-060 |
0.68 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)=C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
|
|
| MolPort-002-514-788 |
0.68 |
CCOC(=O)CC(C)(O)[C@@]12O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(C)=O
|
|
| MolPort-035-706-238 |
0.68 |
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-153-175 |
0.68 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
|
|
| MolPort-019-937-562 |
0.68 |
CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-046-158-459 |
0.68 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO
|
|
| MolPort-001-742-445 |
0.68 |
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-001-740-742 |
0.68 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
|
|
| MolPort-001-740-199 |
0.68 |
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-006-668-661 |
0.68 |
COC(=O)C(=C)C1C(O)CC2(C)C(O)CCC(=O)C2C1O
|
|
| MolPort-035-706-204 |
0.68 |
C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CCC(=C)[C@@H](O)[C@@]23OC1=O
|
|
| MolPort-038-386-575 |
0.68 |
C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(=C)C[C@H](O)[C@@H](O)[C@]4(C)C([C@@H](O)[C@@H]1O)[C@]23C
|
|
| MolPort-005-944-946 |
0.68 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-005-945-167 |
0.68 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
|
|
| MolPort-035-706-215 |
0.68 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-016-633-336 |
0.67 |
CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-021-804-540 |
0.67 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-008-268-168 |
0.67 |
C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-001-740-222 |
0.67 |
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-527-396 |
0.67 |
C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-039-338-381 |
0.67 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2OC(C)=O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-009-684-169 |
0.67 |
C\C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2CC1
|
|
| MolPort-003-959-089 |
0.67 |
CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-033-497 |
0.67 |
C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-627-212 |
0.67 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-000-803-190 |
0.67 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-006-170-151 |
0.67 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-038-386-485 |
0.67 |
CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-005-944-892 |
0.67 |
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)C1CCC(O)=O
|
|
| MolPort-046-689-506 |
0.67 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-002-526-004 |
0.67 |
CC(O)(CCl)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-516-796 |
0.67 |
CC(O)(CCl)C(=O)O[C@@H]1CC(=C)C2C[C@@H](O)[C@@](O)(CCl)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-039-339-222 |
0.67 |
C\C(=C/CO)C(=O)O[C@H]1CC(=C)[C@@H]2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MCULE-1187896247 |
0.67 |
[C@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
|
|
| MCULE-4774272300 |
0.67 |
[C@@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
|
|
| MCULE-7405855960 |
0.67 |
O=C1C(=C)[C@@]2(CCC(=CCC[C@]3(O[C@]3([H])[C@@]2([H])O1)C)C)[H]
|
|
| MCULE-3930398727 |
0.67 |
C1C=C(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@@]2(C1)C
|
|
| MCULE-5648274394 |
0.67 |
CC1CCC2C(C(OC2C2OC2(C)CCC=1)=O)=C
|
|
| MCULE-6512230417 |
0.67 |
[C@]12([H])O[C@]1(C)CCC=C(C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-6663461828 |
0.67 |
C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-8373483440 |
0.67 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C(=O)O)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1OC(=O)CC(C)(C(=O)O)C)C
|
|
| MCULE-3066550157 |
0.67 |
[C@@]12(C)CC[C@@]3(C([C@H](C(C)=C)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(CCC(O)=O)=O)C2(C)C)C(O)=O
|
|
| MCULE-6035868105 |
0.67 |
[C@H]1(C(C(O)(C)[C@@H]2OC(C([C@@H]2CC1)=C)=O)CCC(O)=O)C
|
|
| MCULE-4960489764 |
0.67 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
|
|
| MCULE-8728198723 |
0.67 |
C12[C@@](CCl)(O)[C@@H](CC1C(=C)C[C@@H](OC(=O)C(C)(CCl)O)C1C(C(=O)O[C@H]21)=C)O
|
|
| MCULE-1356077791 |
0.67 |
[C@H]12OC(=O)C([C@@H]1[C@@H](OC(/C(/C)=C/CO)=O)CC(=C)[C@]1([H])C=C[C@](O)(C)[C@@]12[H])=C
|
|
| MCULE-1048308281 |
0.67 |
C123C(=O)OC4C5OC(=O)C(C5C(C)=C)C(CC1(O2)[H])(O)C34C
|
|
| MCULE-5844154032 |
0.67 |
[C@@]123C(=O)O[C@@H]4[C@@H]5OC(=O)[C@@H]([C@@H]5C(C)=C)[C@@](C[C@]1(O2)[H])(O)[C@]34C
|
|
| MCULE-1130606606 |
0.67 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O
|
|
| MCULE-4803801964 |
0.67 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O.O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(C)(C)O)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O
|
|
| MCULE-3285933896 |
0.67 |
O=C1O[C@]2([H])[C@@H](C(=C)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H]
|
|
| MCULE-1845563716 |
0.67 |
O=C1O[C@]2([H])[C@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H].O=C1OC2C(C(=C)C)C1C1(C3(C2OC(=O)C23OC2C1)C)O
|
|
| MCULE-7388224086 |
0.67 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-6052588676 |
0.67 |
C1C[C@@H]2O[C@@]3([H])OC[C@@]1(C)[C@@]3([C@]12COC(=O)[C@]23[C@H](O)C(=C)[C@H](CC[C@]21[H])C3)[H]
|
|
| MCULE-5833637266 |
0.67 |
C(OC1C2CC3C(C2)C1C(=O)O3)(=O)C=C
|
|
| MCULE-8131321980 |
0.67 |
C1(=C[C@]2([H])[C@H](C)C(C)=CC32[C@]1(COC(=O)[C@@]3(CO)O)[H])C(O)=O
|
|
| MCULE-3037222806 |
0.67 |
C1=C(C(=O)O)C[C@@H](OC(=O)/C(=C\C)/C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-3709898565 |
0.67 |
C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MolPort-001-739-893 |
0.67 |
C[C@H]1[C@H]2C=C([C@@H]3COC(=O)[C@](O)(CO)C23C=C1C)C(O)=O
|
|
| MolPort-039-052-392 |
0.67 |
C\C(=C/CO)C(=O)O[C@H]1C\C(C)=C/C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-338-136 |
0.67 |
C[C@@]12CO[C@@H]3O[C@@H](CC1)[C@]1(COC(=O)[C@@]45C[C@@H](CC[C@@H]14)C(=C)[C@H]5O)[C@@H]23
|
|
| MolPort-039-052-722 |
0.67 |
C\C=C(\C)C(=O)O[C@@H]1C\C(=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O
|
|
| MolPort-042-675-367 |
0.67 |
C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-001-742-576 |
0.67 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
|
|
| MolPort-046-683-168 |
0.67 |
CC(=C)C1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)C1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C
|
|
| MolPort-039-052-609 |
0.67 |
CC(=O)O[C@@H]1CC2C[C@]3([C@@H]1[C@]14CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)OC4)C(=O)C2=C
|
|
| MolPort-003-800-101 |
0.67 |
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C
|
|
| MolPort-023-334-680 |
0.66 |
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13C2[C@@H](O)[C@@H]4O
|
|
| MolPort-035-705-869 |
0.66 |
C[C@]12CO[C@H]3OC[C@]4([C@@H]13)[C@H](CC2)OC(=O)[C@@]12C[C@@H](C[C@@H](O)[C@@H]41)C(=C)C2=O
|
|
| MolPort-044-754-056 |
0.66 |
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
|
|
| MolPort-005-945-744 |
0.66 |
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
|
|
| MolPort-002-535-209 |
0.66 |
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C3O[C@H]3C3C(=O)O[C@H]2[C@]13C
|
|
| MolPort-019-937-337 |
0.66 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)C(=O)C=C(C)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
|
|
| MolPort-046-764-663 |
0.66 |
C[C@@]12[C@H]3[C@@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)[C@H]1O[C@H]1[C@@H]2O
|
|
| MolPort-035-765-923 |
0.66 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C2C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-001-740-745 |
0.66 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-039-241-440 |
0.66 |
CC(=C)[C@@H]1OCCC[C@@H]1C(O)=O
|
|
| MolPort-046-674-907 |
0.66 |
CC(=C)[C@@H]1OCCC[C@H]1C(O)=O
|
|
| MCULE-6893538378 |
0.66 |
[C@@]12(O)[C@@H]3[C@H](C(C)(C)O)[C@@H](OC3=O)[C@H]3OC(=O)C([C@@]4(OC14)[H])[C@@]23C.[C@@]123C(=O)O[C@@H]4[C@@H]5OC(=O)[C@@H]([C@@H]5C(C)=C)[C@@](C[C@]1(O2)[H])(O)[C@]34C
|
|
| MCULE-1981205050 |
0.66 |
CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1
|
|
| MCULE-7462445595 |
0.66 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-7942598042 |
0.66 |
CC1[C@@H]2C[C@@H]3[C@@]4(C)[C@@]([C@H]([C@H]([C@@H]([C@@H]4[C@@]2(C)[C@H](O)C(=O)C=1)O)O)C)(O)[C@@H](O)C(=O)O3
|
|
| MCULE-6414357750 |
0.66 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(=C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-5484629919 |
0.66 |
C1[C@@H]2OC(=O)[C@@]34C(=O)C(=C)[C@@H](C3)C[C@@H](O)[C@@]4([H])[C@@]32CO[C@@]2(OC[C@@](C)([C@H]32)C1)[H]
|
|
| MCULE-5714384003 |
0.66 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2C(C)=C1
|
|
| MCULE-1564688046 |
0.66 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-9975535341 |
0.66 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-5144586536 |
0.66 |
[C@@]12([H])C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@@]([H])(CC[C@@]1([H])C2=C)[C@H]3OC(=O)C
|
|
| MCULE-4276199774 |
0.66 |
CC([C@H]1[C@@H](C(O)=O)CCCO1)=C
|
|
| MCULE-5527954946 |
0.66 |
O=C(/C(=C/CO)/C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-8569314397 |
0.66 |
O=C(C(=CCO)C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-2930807712 |
0.66 |
C1[C@H](OC(=O)C)C(C)=C[C@@]2([H])OC(=O)C([C@]2([H])[C@H](OC(/C(/C)=C/CO)=O)CC(COC(=O)C)=C1)=C
|
|
| MCULE-3099268900 |
0.66 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-1159348886 |
0.66 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-9259214707 |
0.66 |
C1C[C@]2(C)[C@@]3([H])[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(=C)C[C@]64[H])CC[C@@]5(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-9582917027 |
0.66 |
C(OCC(CC)CCCC)(=O)C(CC(OCC(CC)CCCC)=O)=C
|
|
| MCULE-6024893415 |
0.66 |
C12(OC(C34C(OC(C3(C1=O)C1(C)C(OC(=O)/C(=C/C)/C)CC3(C(=C)C1(O4)C2OC(=O)C)CCC(=O)OC3(C)C)=O)C)=O)C
|
|
| MCULE-3052348589 |
0.66 |
C1(=O)O[C@@H]2[C@@H]([C@@H](CC(C)=CC[C@H](OC(C)=O)C(C)=C2)OC(=O)/C(=C/C)/COC(=O)/C(/CO)=C/C)C1=C
|
|
| MCULE-2865063085 |
0.66 |
[C@H]12[C@H]3OC(C(=C)[C@@H]3[C@H](CC(=CCC[C@]1(O2)C)C)OC(=O)C(CO)=CCO)=O
|
|
| MCULE-1848828110 |
0.66 |
C1[C@H](OC(=O)/C=C\SC)[C@]2([H])[C@@H](OC(=O)C)[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
|
|
| MolPort-039-339-219 |
0.66 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-019-931-805 |
0.66 |
CC1(C)CC2C=C(C3COC(=O)C(O)(CO)C23C1)C(O)=O
|
|
| MolPort-039-339-218 |
0.66 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-021-804-824 |
0.66 |
C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
|
|
| MolPort-046-158-474 |
0.66 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
|
|
| MolPort-044-183-474 |
0.66 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-338-614 |
0.66 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
|
|
| MolPort-039-338-405 |
0.66 |
C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CCC(=C)C[C@@H]24)CC[C@@]13C
|
|
| MolPort-019-937-565 |
0.66 |
CC(=C)C(O)CCC(C)(O)C1(O)CCC2(C)C1C(CC1C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC21C)OC(C)=O
|
|
| MolPort-046-590-032 |
0.66 |
C=C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1
|
|
| MolPort-019-937-153 |
0.66 |
C\C=C(/C)C(=O)OC1CC2(CCC(=O)OC2(C)C)C(=C)C23OC45C(C)OC(=O)C4(C(=O)C(C)(OC5=O)C2OC(C)=O)C13C
|
|
| MolPort-001-742-398 |
0.66 |
C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-029-943-089 |
0.66 |
CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](CC(C)=C1[C@H](C)CCCO)OC(=O)[C@]21C[C@]23C(OC(C)=O)[C@@H]1C(C)=C2C[C@@H]1[C@@H](C[C@H]3C)OC(=O)C1=C
|
|
| MolPort-002-521-598 |
0.66 |
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\CO)=C\CO
|
|
| MolPort-039-339-020 |
0.66 |
CS\C=C/C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O
|
|
| MolPort-038-386-662 |
0.65 |
CC(=O)OC1CC(OC2CCC(C)=C(C=O)C12C)C(C)(C)O
|
|
| MolPort-021-804-541 |
0.65 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
|
|
| MolPort-045-968-441 |
0.65 |
CC1C=C(C)C2C(C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-046-067-657 |
0.65 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-039-338-271 |
0.65 |
C\C=C(\C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O
|
|
| MolPort-039-338-272 |
0.65 |
C\C=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O
|
|
| MolPort-005-945-451 |
0.65 |
C\C=C(\C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-001-742-567 |
0.65 |
CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
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|
| MolPort-019-937-184 |
0.65 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
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|
| MolPort-039-338-309 |
0.65 |
CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-338-296 |
0.65 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
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| MolPort-001-740-257 |
0.65 |
CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\C=C\C(=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-101-235 |
0.65 |
C\C=C(\C)C(=O)OC1C\C(C)=C\CCC2(CO)OC2C2OC(=O)C(=C)C12
|
|
| MolPort-039-052-716 |
0.65 |
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
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|
| MolPort-039-052-707 |
0.65 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
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|
| MolPort-035-706-377 |
0.65 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)[C@@H](OC(C)=O)[C@@H]5C(O)=O)[C@@H]12)C(O)=O
|
|
| MolPort-019-937-555 |
0.65 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
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|
| MolPort-019-937-557 |
0.65 |
CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
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|
| MolPort-046-509-020 |
0.65 |
CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
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| MolPort-019-937-534 |
0.65 |
COC(=O)C(=C)C1C(O)CC2(C)C(C1O)C(O)(CO)CCC2=O
|
|
| MolPort-020-005-698 |
0.65 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
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| MolPort-046-761-005 |
0.65 |
CCCCCCCCCCCCCCCC(O)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
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| MolPort-035-706-562 |
0.65 |
C[C@H]1[C@H]2C[C@H]3C(=C)C[C@H](O)C[C@]3(C)C[C@H]2OC1=O
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| MolPort-002-509-880 |
0.65 |
C\C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12
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|
| MolPort-046-761-511 |
0.65 |
CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-000-719-373 |
0.65 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CCC(O)(C(C)C)[C@H]12
|
|
| MCULE-4251451769 |
0.65 |
C1C(OC(C)=O)C2(C)C(C=O)=C(C)CCC2OC1C(O)(C)C
|
|
| MCULE-1906795397 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O
|
|
| MCULE-2266958285 |
0.65 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C=C
|
|
| MCULE-1234424378 |
0.65 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-3449742522 |
0.65 |
C1C(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)C)C[C@](O)(C)C=1
|
|
| MCULE-7379430730 |
0.65 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-9380832184 |
0.65 |
C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
|
|
| MCULE-5187157844 |
0.65 |
C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
|
|
| MCULE-2804901759 |
0.65 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-4603475177 |
0.65 |
C1C=C(C)CC(OC(=O)/C(/C)=C\C)C2C(=C)C(=O)OC2C2OC2(CO)C1
|
|
| MCULE-2969817322 |
0.65 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-8209146843 |
0.65 |
[C@@H]1(O)C[C@]2(C)C[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-7148843716 |
0.65 |
C1C(=O)C2(C)CC(O)C(C(=C)C(=O)OC)C(O)C2C(O)(CO)C1
|
|
| MCULE-2313890542 |
0.65 |
[C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-1566350070 |
0.65 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-9707855350 |
0.65 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-4659340446 |
0.65 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-2588682863 |
0.65 |
C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
|
|
| MCULE-4112378800 |
0.65 |
[C@@]123CC=C(C)C1[C@@H]1[C@@H](CC[C@]2(O3)C)[C@@H](C(=O)O1)C
|
|
| MCULE-1118824383 |
0.65 |
O=C(CO)O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@]23CC[C@@H](C)[C@]1([C@]2([H])C(=O)CC3)C
|
|
| MCULE-3928791581 |
0.65 |
C[C@H]1[C@@H]([C@](C[C@@H](OC(=O)CO)C2([C@H](C)CCC31CCC(=O)[C@]32[H])C)(C)C=C)O
|
|
| MCULE-5043130196 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O
|
|
| MCULE-2222797068 |
0.65 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]4(O)[C@]3(O)CC=C2C[C@H]1O
|
|
| MCULE-2724365529 |
0.65 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-6419704114 |
0.65 |
CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
|
|
| MCULE-6317774895 |
0.65 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O
|
|
| MCULE-8390617062 |
0.65 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-7655940373 |
0.65 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-5661885893 |
0.65 |
CC[C@@H](C(=O)O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)=CCC1)C
|
|
| MCULE-4740518260 |
0.65 |
C12=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-4325649241 |
0.65 |
C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-1891722858 |
0.65 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-7087866108 |
0.65 |
C1[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)=C[C@@H]1C
|
|
| MCULE-8429357063 |
0.65 |
C1(C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=CCC[C@H](OC([C@@H](C)CC)=O)[C@@]32[H])O1)=O
|
|
| MCULE-4425376968 |
0.65 |
CC(=C)C(=O)OC12CC3CC(CC(C3)C1)(O)C2
|
|
| MCULE-3169829105 |
0.65 |
C12[C@H]3OC(C(=C)C3[C@@H](CC(=CCC[C@]1(O2)C)C)OC(=O)/C(/C)=C/CO)=O
|
|
| MolPort-002-524-245 |
0.65 |
C[C@H]1[C@@H]2CC[C@@]3(C)O[C@]33CC=C(C)C3[C@H]2OC1=O
|
|
| MolPort-019-931-744 |
0.65 |
CCCC(O)CC1CC(O)\C=C\C(O)C(O)C(C)(C)C(=O)O1
|
|
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0.65 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O2
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CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1O
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CC1(C)CC[C@H](O)[C@@]2(C)C1[C@H](O)[C@H](O)[C@@]1(C)O[C@](C)(CC(=O)[C@]21O)C=C
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C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
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CC1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
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C[C@@H]1CCC23CCC(=O)[C@H]2C1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
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CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
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OC(=O)[C@@H]1CCCO[C@H]1C=C
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CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
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CC(O)C(C)(C)C(=O)OC1CC(C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]12
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CC(=C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2
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CCC(C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@@H]2CC(=O)[C@H](C)[C@@]1(O)C(=O)\C=C\C
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C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
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C[C@H]1OC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
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CC(C)C1CCC(C)CC1OC(=O)C(=C)CC(O)=O
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COC(=O)C1C(O)C2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
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CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3C(OC(=O)C3=C)C=C(C)[C@@H]12
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[C@H]1(OC(C(C)CC)=O)[C@@H]2OC(C(=C)[C@@H]2CC(=O)[C@H](C)[C@@]1(O)C(=O)/C=C/C)=O
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| MCULE-9206020628 |
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C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
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| MCULE-4092375452 |
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C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C2OC2(C)C1
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| MCULE-8954390569 |
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C=C1C(=O)OC[C@]2(CCC[C@@]3(C[C@@H](O)[C@@H]1C=C23)C)[H]
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| MCULE-4800012179 |
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O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
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[C@@]12(O)CC[C@H]([C@](O)(C)C[C@@H](O)[C@@]3([H])[C@@H](C)OC(=O)[C@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
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| MCULE-9788880463 |
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[C@]12(O)[C@H](O)C[C@](C)(O)[C@@]1([H])COC(=O)C2
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| MCULE-8156526968 |
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C(=O)(OC1CC(C)CCC1C(C)C)C(=C)CC(O)=O
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| MCULE-5937685751 |
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[C@@]12([H])C[C@H]3C(C=C(C)[C@@]1([H])[C@H](C[C@@]2(C)O)OC(C)=O)OC(=O)C3=C
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| MCULE-2702437708 |
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C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
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| MCULE-8693881242 |
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C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O
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| MCULE-2178544437 |
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[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)/C(/C)=C\C)[C@@]3([C@@H](C(=O)O[C@@H]3C1)C)[H])C(C=C2)=O)C
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| MCULE-1278548612 |
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C12[C@H](OC(C)=O)C[C@@]3([C@](C)([C@H](CC[C@@]3(C)C(OC)=O)OC(C)=O)C=1CC[C@](C)(C=C)[C@@H]2OC(C)=O)[H]
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| MCULE-4437204352 |
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O(C(=O)C)[C@H]1[C@](C=C)(C)CCC2=C1[C@H](OC(=O)C)CC1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(OC)=O
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| MCULE-9787588778 |
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C([C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@]4(CC[C@H](OC(=O)C)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2)C)(=O)OCC(N)(CO)CO
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| MCULE-5753734207 |
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C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
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| MCULE-2503470402 |
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C1C[C@]2([H])C[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
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| MCULE-7960559996 |
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C1(=O)OC2(CC1C(C(OCC=C)=O)C(C2)C)C
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| MCULE-7025819167 |
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C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
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| MCULE-2548997740 |
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[C@]12([C@]3([H])[C@H](OC)OC[C@]3(C)CCC1)[C@]1([H])[C@H](O)C[C@H]3C(=C)C(=O)[C@@]1(C3)C(=O)OC2
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| MCULE-5493069742 |
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[C@]12([C@]3([H])[C@@H](OC)OC[C@]3(C)CCC1)[C@]1([H])[C@H](O)C[C@H]3C(=C)C(=O)[C@@]1(C3)C(=O)OC2
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| MCULE-9439093573 |
0.64 |
[C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C
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| MCULE-3300544479 |
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C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C
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| MCULE-4587387143 |
0.64 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
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| MCULE-3798887300 |
0.64 |
[C@]12(C)CCCC(C)(C)[C@]1([H])[C@H](CC(=C)[C@H]2CCC(C)(C=C)OC(C)=O)OC(C)=O
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| MCULE-2621799080 |
0.64 |
C1(O)CC2(C)C(CCC(C)CCOC(=O)CCC(=O)O)C(=C)CCC2C(C)(C)C1
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| MCULE-8338562644 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4(O)C3CCC2(C1)[H])C(OC)=O)OC(C)=O
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| MCULE-6449749404 |
0.64 |
[C@H]12[C@@H](C=C(C)CCC=C(C=O)[C@H](OC)[C@H]1OC(C(C)C)=O)OC(=O)C2=C
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| MCULE-7005445792 |
0.64 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
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C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
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COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)C1C[C@@H](OC(C)=O)C1=C2CC[C@](C)(C=C)[C@@H]1OC(C)=O
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C\C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
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C[C@H](O)[C@@H](C)C(=O)O[C@H]1CC(C)=C2[C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)OC(C)=O
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CCC(C)C(=O)OC1C2[C@H](OC(=O)C2=C)\C=C(CO)\CCC=C(CO)[C@@H]1OC(C)=O
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| MolPort-039-338-575 |
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C[C@H](CCCOC(C)=O)C1=CC2C(C[C@@]1(C)O)OC(=O)[C@]21CC2[C@@H]3[C@H](C)CC4OC(=O)C(=C)C4CC3=C(C)[C@]12OC(C)=O
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)OCC(N)(CO)CO)C(C)=C)C1(C)C
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CC1C=CC2CCCCC2C1CCC1CC(O)CC(=O)O1
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CC1CC2(C)CC(C1C(=O)OCC=C)C(=O)O2
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C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
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CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12
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C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
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CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12
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CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C
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CO[C@@H]1[C@@H](OC(=O)C(C)C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O
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CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC
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CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
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CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
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C[C@@H]1\C=C\C(C)(C)C(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C1=O)OC(C)=O
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CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
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CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
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C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H]([C@@H](O)C[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
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CC1(C)CCC(O)C23COC(O)(C(O)C12)C12C(O)C(CCC31)C(=C)C2=O
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CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12[C@@H](O)[C@@H](CC[C@@H]31)C(=C)C2=O
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O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H]
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C1C(O)C2(C)CCC(C(=C)C(=O)OC)C(O)C2C(=C)C1
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C(COC(=O)CCC(=O)O)(C)(COC(=O)CCC(=O)O)C(=O)O[C@@H]1CC2=CC[C@@]3([H])[C@]4([H])CC[C@@]([H])(C4(CC[C@]3([H])[C@@]2(C)CC1)C)[C@H](C)CCCC(C)C
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
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O=C1C=C2[C@@]3(C4[C@](C=C2)([H])[C@@]2([H])[C@]([C@@](CC2)(CCC(=O)O)O)(C(=O)OC3)CC4)CC1
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O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
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C1[C@@H](OC(=O)C(C)C)[C@]2([H])[C@@]3(C)CC[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(C)C(C)=C1
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| MCULE-7448178395 |
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[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
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| MCULE-4273868412 |
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C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
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| MCULE-3305666834 |
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[C@H]12OC(=O)C([C@@H]1[C@H](OC(/C(/C)=C/CO)=O)C[C@]1(O)CO[C@@H]3C=C(C)[C@@]2([H])[C@]13[H])=C
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C12C(C(=C)C)CCC1(COC(=O)CCC(=O)O)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)OC(=O)CCC(=O)O
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[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(O)=O)=O)C2(C)C)COC(CCC(O)=O)=O
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C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])[C@@H]2O[C@]12C
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C(=O)(CC(=C)C(=O)O)OCCCCCCCCCCCC
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| MCULE-5956894545 |
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C123C(O)CCC(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O
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C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
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CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
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CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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CC1CCC2OC(C)(C)C(=O)C(O)CC2(C)C1(O)CCC1C(=C)CCC2OC(C)(C)C(CCC12C)OC(C)=O
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CC(=C)C1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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COC(=O)CCC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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CC(=C)[C@@H]1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
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CCCCCCCCOC(=O)CC(=C)C(O)=O
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CC(=C)C1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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CC(=C)[C@@H]1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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CC(=C)[C@@H]1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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COC(=O)CCC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@@H](CCC4(COC(C)=O)CC[C@@]32C)C(C)=C)C1(C)C
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C[C@@H]1CC[C@H]([C@H]2[C@@H]3O[C@]3(C)CC[C@@H]12)C(=C)C(O)=O
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CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
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COC(=O)CCC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(=O)CCC(=O)OC)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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C[C@@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(C)=O)OC1=O
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CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
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C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
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C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
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C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
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CC1=CC(=O)[C@@H](O)[C@]2(C)C3[C@]4(O)OC[C@@]33[C@@H](CC12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O
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CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O
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CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1OC
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CC(=C)[C@@H]1OCC[C@@H]1C(O)=O
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CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C12
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CC(CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(C)CC2OC(=O)C(=C)C2C1O
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C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
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OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
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C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
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OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
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0.62 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC)[C@@H]12
|
|
| MolPort-002-984-651 |
0.62 |
CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O
|
|
| MolPort-001-742-429 |
0.62 |
C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-006-147-884 |
0.62 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5
|
|
| MolPort-003-931-014 |
0.62 |
C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-002-509-854 |
0.62 |
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-000-757-886 |
0.62 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-039-338-531 |
0.62 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CCC5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-046-764-697 |
0.62 |
CC12C3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-046-764-698 |
0.62 |
CC12C3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-007-549-417 |
0.62 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
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| MolPort-039-052-678 |
0.62 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
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| MolPort-021-804-605 |
0.62 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-019-937-130 |
0.62 |
C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@H]2CO
|
|
| MolPort-035-706-005 |
0.62 |
C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@@H]2CO
|
|
| MolPort-035-706-513 |
0.62 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@]6(O)CC[C@]45CO6)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-008-268-236 |
0.62 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
|
|
| MolPort-039-052-592 |
0.62 |
CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12CC(CC[C@@H]31)C(=C)C2=O
|
|
| MolPort-046-697-222 |
0.62 |
CC1CCC(O)C(O)C11C(O)C(=C)OC1=O
|
|
| MolPort-039-338-814 |
0.62 |
CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](C[C@@H](O)[C@@H]31)C(=C)C2=O
|
|
| MCULE-2319475587 |
0.62 |
C1C[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@]5(CCC(=O)O5)CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC2=CC1=O
|
|
| MCULE-3017570989 |
0.62 |
OC12CC3(OC(C=C)=O)CC(CC(C3)C1)C2
|
|
| MCULE-3968820569 |
0.62 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
|
|
| MCULE-5611461738 |
0.62 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H].C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-7914276135 |
0.62 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
|
|
| MCULE-2994624081 |
0.62 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-2745275424 |
0.62 |
C123[C@@H]4[C@@H](CC[C@@]5(O[C@]1(C)[C@H]([C@@]([C@]1([H])C6C([C@@H]7[C@@H](CC[C@]6(C)O)[C@@H](C(=O)O7)C)=C(C)[C@]21[H])([H])C35)O)C)[C@@H](C(=O)O4)C
|
|
| MCULE-1971572264 |
0.62 |
[C@@]12(C)[C@@H](OC(C)=O)[C@@H](OC(CCN(C)C)=O)[C@]3([H])[C@@](C)(C1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C
|
|
| MCULE-6016945740 |
0.62 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
|
|
| MCULE-5198741898 |
0.62 |
[C@H]1(O)[C@@H](O)[C@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)OC[C@]1([H])C[C@H]1[C@@]([C@@H](C)[C@@H](O)C)([H])O1
|
|
| MCULE-1584743999 |
0.62 |
[C@]1([H])(C[C@H]2CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@@H](O)C
|
|
| MCULE-5325377420 |
0.62 |
O=C(CCCCCCCCOC(=O)/C=C(/C[C@H]1[C@H](O)[C@H](O)[C@@H](C[C@H]2[C@H]([C@@H](C)[C@H](C)O)O2)CO1)\C)O
|
|
| MCULE-8370755517 |
0.62 |
O=C(CCN(C)C)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C
|
|
| MCULE-3402569698 |
0.62 |
C1C2COC(=O)C2C(C(O)=O)C(C)C=1
|
|
| MCULE-1499638877 |
0.62 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-4463171772 |
0.62 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-1257766731 |
0.62 |
O=C1O[C@@]2([H])[C@]34[C@]([C@]5([C@H](O)C(=O)C=C(C)[C@@]5(C2)[H])C)([H])[C@@]([C@@H](C(=C)[C@]3(O)[C@H]1O)O)(O)OC4
|
|
| MCULE-2381125258 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3C4(OC[C@@]53[C@@](O)([C@@H](O)C(=O)O[C@@H]5CC2C(C)=C1)C(=C)[C@H]4O)O
|
|
| MCULE-6868177435 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])C4(O)OC[C@@]53[C@@](O)([C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=C)[C@H]4O
|
|
| MCULE-5067610229 |
0.62 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-2871410677 |
0.62 |
C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O)OC(C)=O
|
|
| MCULE-5176587980 |
0.62 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-8877073560 |
0.62 |
C1C[C@]2(C)C3CC[C@]4([H])C5[C@H](C(C)=C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-6531102317 |
0.62 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
|
|
| MCULE-5448913970 |
0.62 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-8617095272 |
0.62 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-5494151913 |
0.62 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-6232978473 |
0.62 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-2235884727 |
0.62 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-2277162868 |
0.62 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-9013163041 |
0.62 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-9169992682 |
0.62 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-8380731028 |
0.62 |
C12[C@@H](C)C[C@@H](C[C@]1(C)C[C@@H]1[C@H](C=2)C(=C)C(O1)=O)O
|
|
| MCULE-7793896949 |
0.62 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-4804864002 |
0.62 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-5675720715 |
0.62 |
[C@@]12(CCC(CC1(O)CCC1C2CC[C@]2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-4460966232 |
0.62 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-1809509655 |
0.62 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(O)=O)OC(C)=O
|
|
| MCULE-5731491995 |
0.62 |
[C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@@H]2CO
|
|
| MCULE-3144399505 |
0.62 |
[C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@H]2CO
|
|
| MCULE-5745499351 |
0.62 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(OC)=O
|
|
| MCULE-3230992952 |
0.62 |
C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
|
|
| MCULE-4110382383 |
0.62 |
C12(C(C)CCC(O)C1O)C(=O)OC(=C)C2O
|
|
| MCULE-4780123483 |
0.62 |
C12(CCOC(C)(C)C1)OC(CC2C(OCC)=O)=O
|
|
| MCULE-2561546037 |
0.62 |
C12(CCOC(C)(C)C1)OC(CC2C(O)=O)=O
|
|
| MCULE-1524421815 |
0.62 |
C12(C(OCC)=O)CC1C1(OC2=O)CCCCC1
|
|
| MCULE-8222592837 |
0.62 |
CC1OCC2(C(=O)OC(=O)C2)CC1
|
|
| MCULE-5939300673 |
0.62 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-5004121327 |
0.62 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-1594866763 |
0.62 |
[C@@H]12OC1(C)CC(=O)/C(=C(/C)\C)/C[C@@H]1O[C@]1(C)CC2
|
|
| MCULE-5708067201 |
0.62 |
C1[C@@](O)(C)[C@]2([H])[C@@]3([H])[C@H]4C=C(C)[C@@]5([C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@@]54[H])[C@@]3([H])C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@@H]2C1
|
|
| MCULE-1740263144 |
0.62 |
O=C(CCN(C)C)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C.[H]Cl
|
|
| MCULE-5499634167 |
0.62 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-3003712811 |
0.62 |
C(CC(C)CC)(OC1C(C(C)C)C(O)C=C(CO)C1=O)=O
|
|
| MCULE-6909627093 |
0.62 |
Cl.[C@@]12(C)[C@@H](OC(C)=O)[C@@H](OC(CCN(C)C)=O)[C@]3([H])[C@@](C)(C1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C
|
|
| MCULE-9271718437 |
0.62 |
C(OCC=C)(C1CC2C(CC1C)O2)=O
|
|
| MCULE-2740109652 |
0.62 |
[C@@H]1(CC(C[C@@H]1C(OCC)=O)=C)C(OCC)=O
|
|
| MCULE-1185460613 |
0.62 |
C12C(C(=O)OC)C(C(=O)OC)C3C4C1C1(COC(=O)C)C2C3C41OC(=O)C
|
|
| MCULE-8140752933 |
0.62 |
O=C1C23C4CCC5(C)C(CCC5C4(CCC2(O)CC(O)CC3)O1)C(O)=O
|
|
| MCULE-4562315733 |
0.62 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(=O)[O-])=O)C2(C)C)COC(CCC(=O)[O-])=O.[Na+].[Na+]
|
|
| MCULE-9326656323 |
0.62 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1671560839 |
0.62 |
[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
|
|
| MCULE-1441261356 |
0.62 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7003052133 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7854744392 |
0.62 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-4306149194 |
0.62 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-4777670330 |
0.62 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-4124934247 |
0.62 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
|
|
| MolPort-000-732-294 |
0.62 |
CCOC(=O)C1CC(=O)OC11CCOC(C)(C)C1
|
|
| MolPort-006-827-789 |
0.62 |
CCOC(=O)C12CC1C1(CCCCC1)OC2=O
|
|
| MolPort-001-983-371 |
0.62 |
CC1(C)CC2(CCO1)OC(=O)CC2C(O)=O
|
|
| MolPort-046-764-838 |
0.62 |
[Na+].CCC(C)(C)C(=O)O[C@H]1CC(CO)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-035-706-340 |
0.62 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-039-052-513 |
0.62 |
CC(=O)O[C@@H]1C(=C)[C@@H]2C[C@@]11[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H]1[C@H](C2)OC(C)=O
|
|
| MolPort-039-052-478 |
0.62 |
CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)CC1=O
|
|
| MolPort-035-706-337 |
0.62 |
COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O
|
|
| MolPort-028-600-130 |
0.62 |
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O
|
|
| MolPort-003-983-784 |
0.62 |
Cl.CN(C)CCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)C2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MolPort-005-944-832 |
0.62 |
CCC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-046-760-618 |
0.62 |
[Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-009-194-219 |
0.62 |
O.O.[Ca++].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O.C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-006-069-046 |
0.62 |
Cl.CN(C)CCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MolPort-046-690-131 |
0.62 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-002-512-063 |
0.62 |
CCOC(=O)[C@H]1CC(=C)C[C@@H]1C(=O)OCC
|
|
| MolPort-001-740-925 |
0.62 |
CC(=O)O[C@H]1C(=C)C2C[C@@]11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
|
|
| MolPort-000-762-008 |
0.62 |
[Na+].[Na+].CC(=C)C1CCC2(COC(=O)CCC([O-])=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC([O-])=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-044-755-265 |
0.62 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
|
|
| MolPort-002-512-074 |
0.62 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(O)=O)C3CC[C@]12C
|
|
| MolPort-007-549-415 |
0.62 |
CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-016-638-434 |
0.62 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-046-761-516 |
0.62 |
COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(O)C(=O)O2)C13
|
|
| MolPort-001-742-530 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-002-708-424 |
0.62 |
CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-046-196-342 |
0.62 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC(C)=O)[C@@H]12
|
|
| MolPort-035-706-023 |
0.62 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-006-167-612 |
0.62 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-046-788-505 |
0.62 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC(C)=O)[C@@H]12
|
|
| MolPort-003-986-216 |
0.62 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-035-394-839 |
0.62 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-042-683-898 |
0.62 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-006-393-950 |
0.62 |
[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-009-680-176 |
0.62 |
OC12CC3CC(C1)CC(C3)(C2)OC(=O)C=C
|
|
| MolPort-035-705-801 |
0.62 |
C[C@@]12CCC[C@]34C(O[C@H](C[C@H]13)[C@@]13CC[C@@H](C[C@@H]41)C(=C)[C@@H]3O)OC2=O
|
|
| MolPort-002-527-463 |
0.62 |
C[C@H]1[C@@H]2CC[C@](C)(O)C3[C@H]4[C@H]5[C@H](O)[C@@]6(C)O[C@@]7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)C57
|
|
| MolPort-002-511-669 |
0.62 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
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|
| MolPort-023-220-614 |
0.62 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
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|
| MolPort-046-153-045 |
0.62 |
CC(C)C1CCC2(C)C3C1C(C(CC(O)=O)OC3O)C2=C
|
|
| MolPort-039-052-423 |
0.61 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@@]23CO[C@@]1(O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)C=CC3=O
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|
| MolPort-002-528-277 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-019-937-067 |
0.61 |
CC1[C@@H](O)[C@@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)(O)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
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|
| MolPort-046-153-176 |
0.61 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
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|
| MolPort-030-042-294 |
0.61 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-690-464 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-027-853-724 |
0.61 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
|
|
| MolPort-002-507-007 |
0.61 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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|
| MolPort-038-386-661 |
0.61 |
CC(=O)OC1CC(OC2CCC(C)(O)C(C(O)=O)C12C)C(C)(C)O
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|
| MolPort-005-944-039 |
0.61 |
COC(=O)C1(C)OC(=O)[C@@H]2[C@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C4C(C)(C)C(=O)CC[C@]4(C)C3CC(=C)[C@@]2(C)C1=O
|
|
| MolPort-005-944-397 |
0.61 |
COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O
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|
| MolPort-006-668-279 |
0.61 |
COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(OC(C)=O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O
|
|
| MolPort-020-001-442 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)C12
|
|
| MolPort-029-942-993 |
0.61 |
CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C
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|
| MolPort-046-598-120 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-512-393 |
0.61 |
C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2OC(=O)CCC=C
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|
| MolPort-006-167-482 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-039-052-579 |
0.61 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@H](O)C[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
|
|
| MolPort-003-849-960 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-003-849-961 |
0.61 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-702-696 |
0.61 |
CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
|
|
| MolPort-020-005-966 |
0.61 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O
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|
| MolPort-039-339-009 |
0.61 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)[C@]1(CO1)[C@H]4O
|
|
| MolPort-039-339-220 |
0.61 |
CC1=C[C@@H](O)[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](O)C[C@]2(O)CCl
|
|
| MolPort-039-052-398 |
0.61 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O
|
|
| MolPort-002-799-473 |
0.61 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MolPort-001-739-468 |
0.61 |
CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O
|
|
| MolPort-003-933-312 |
0.61 |
OC[C@@H]1[C@@H](O)C[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-000-727-845 |
0.61 |
CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
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|
| MolPort-029-887-062 |
0.61 |
C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)[C@@H]2[C@@H]1CO
|
|
| MolPort-003-930-593 |
0.61 |
OC[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12
|
|
| MolPort-000-846-261 |
0.61 |
CCOC(=O)C1C(C(=O)OCC)C2(CCOC(C)(C)C2)OC1=O
|
|
| MolPort-046-690-855 |
0.61 |
[Na+].C[C@H](O)[C@H](C)[C@H]1O[C@@H]2[C@H](CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@@H]2O)C[C@@H]1O
|
|
| MolPort-001-915-776 |
0.61 |
CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C
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|
| MolPort-001-742-285 |
0.61 |
CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
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|
| MolPort-002-508-440 |
0.61 |
CCC(=O)OC[C@@]12COC(C)[C@@H](C1)C(C)=CC2C
|
|
| MCULE-2616985564 |
0.61 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
|
|
| MCULE-4714508692 |
0.61 |
C1C(O)C2(C)C3C(C)(C(C(C2C(C)(C1=O)C)OC(=O)C)OC(=O)C)C1C(OC(C(C1(C(=C)C3)C)=O)(C)C(OC)=O)=O
|
|
| MCULE-7118099436 |
0.61 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C=O
|
|
| MCULE-7005966850 |
0.61 |
O=C(CCC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)O)O
|
|
| MCULE-5385404753 |
0.61 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-2014190393 |
0.61 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C(O)=O
|
|
| MCULE-6952577518 |
0.61 |
C[C@@]12[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1[C@@H](O)C2
|
|
| MCULE-2103729807 |
0.61 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-2127723525 |
0.61 |
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
|
|
| MCULE-3605740875 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C21)=O)OC(C)=O
|
|
| MCULE-3968933372 |
0.61 |
C1C(O)C2(C)C3C(C(C(C2C(C)(C1=O)C)O)OC(=O)C)(C1C(OC(C(C1(C(=C)C3)C)=O)(C)C(OC)=O)=O)C
|
|
| MCULE-1278081687 |
0.61 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O
|
|
| MCULE-2225264833 |
0.61 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)C(C)[C@]4(O)[C@@H](O)C(=O)O[C@@H]([C@]34C)CC2C(O)(C)C1
|
|
| MCULE-4970138467 |
0.61 |
C1C(OC(C)=O)C2(C)C(C(O)=O)C(O)(C)CCC2OC1C(O)(C)C
|
|
| MCULE-9320823035 |
0.61 |
C([C@H]1[C@H](C=CC2=C[C@@H](O)C[C@H](OC(=O)[C@@H](C)CC)[C@]12[H])C)C[C@@H](O)C[C@@H](O)CC(=O)O
|
|
| MCULE-7117182009 |
0.61 |
OC(=O)C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@H](C[C@@H]2OC(=O)[C@H](CC)C)O)C=C[C@@H]1C)O)O
|
|
| MCULE-7767598477 |
0.61 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CCC=C)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-6290890593 |
0.61 |
CCC(C(OC1C2C(C=CC(C2CCC(CC(CC(=O)[O-])O)O)C)=CC(O)C1)=O)C
|
|
| MCULE-1935435552 |
0.61 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
|
|
| MCULE-3325335892 |
0.61 |
[C@H]12OC(=O)C([C@@H]1[C@H](O)C[C@](O)(CCl)[C@]1([H])[C@H](O)C=C(C)[C@@]12[H])=C
|
|
| MCULE-2303945332 |
0.61 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])C4(O)OC[C@@]53[C@@]([H])(CC(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=C)[C@H]4O
|
|
| MCULE-9514417628 |
0.61 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C
|
|
| MCULE-2711629348 |
0.61 |
C12(OC(CC1([H])C(C(O)C2)CO)=O)[H]
|
|
| MCULE-9693864821 |
0.61 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(O)=O)OC(C)=O)OC(C)=O
|
|
| MCULE-2575838861 |
0.61 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O)OC(C)=O
|
|
| MCULE-5005045875 |
0.61 |
O1C(=O)C[C@@]2([H])[C@H](CO)[C@@H](O)C[C@@]12[H]
|
|
| MCULE-2135976842 |
0.61 |
[C@H]12C[C@H]([C@H](CO)[C@H]1CC(=O)O2)O
|
|
| MCULE-8269449734 |
0.61 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C[C@H](C)[C@@]2([H])CO
|
|
| MCULE-8406212111 |
0.61 |
O[C@H]1C[C@H]2OC(=O)C[C@H]2[C@@H]1CO
|
|
| MCULE-1193081742 |
0.61 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC(C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21O)=O
|
|
| MCULE-8191356703 |
0.61 |
OC[C@@H]1[C@@H]2[C@@H](OC(C2)=O)C[C@H]1O
|
|
| MCULE-7818387200 |
0.61 |
C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O
|
|
| MCULE-9771405026 |
0.61 |
C12(CCOC(C)(C)C1)OC(C(C(OCC)=O)C2C(OCC)=O)=O
|
|
| MCULE-7536268908 |
0.61 |
C12(COC(CC)=O)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-9395429387 |
0.61 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-3608909089 |
0.61 |
O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@@H]12
|
|
| MCULE-8583685611 |
0.61 |
C1[C@H](OC(C(CC)C)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O)=CC1
|
|
| MCULE-4106244241 |
0.61 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC
|
|
| MCULE-7414282746 |
0.61 |
C(=O)(C(C)CC)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12
|
|
| MCULE-6690548447 |
0.61 |
C12(C)C(=O)OCC1C1(CCC2O1)C
|
|
| MCULE-6844552180 |
0.61 |
C12(C)C(=O)OCC1C1OC2(C)CC1
|
|
| MCULE-4381848131 |
0.61 |
C12C(=O)OCC1C1OC2CC1
|
|
| MCULE-3055125444 |
0.61 |
C12(COC(C)=O)COC(=O)C1(C)C1CCC2O1
|
|
| MCULE-9145801664 |
0.61 |
C123CCC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C1CCC(C(=C)[C@H]2OC(=O)/C(/C)=C\C)C3
|
|
| MCULE-1726017976 |
0.61 |
C1C(C2(C3CCC4(C(C3(C)C(OC(=O)C)CC2C(C1O)(C)C)=CCC4C1COC(C(C)(O)C)C(O)C1)C)C)OC(=O)C
|
|
| MCULE-5501928946 |
0.61 |
C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
|
|
| MCULE-4138416849 |
0.61 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)=O
|
|
| MCULE-7583261760 |
0.61 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC([O-])=O)=O)[H].[Na+]
|
|
| MCULE-7706016137 |
0.61 |
[Na+].[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O)O
|
|
| MCULE-7738893054 |
0.61 |
[Na+].C12=C[C@@H](O)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
|
|
| MCULE-5372325704 |
0.61 |
[Na+].CCC(C(OC1C2C(C=CC(C2CCC(CC(CC(=O)[O-])O)O)C)=CC(O)C1)=O)C
|
|
| MCULE-2331926706 |
0.61 |
CCC(C(=O)O[C@@H]1[C@@]2([H])C(=CC(=O)[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)C=C(C)C1)(C)C
|
|
| MCULE-8752496358 |
0.61 |
[O-]C(=O)C[C@H](O)C[C@H](O)CC[C@@H]1[C@]2([H])C(=C[C@@H](O)C[C@@H]2OC(=O)[C@@H](C)CC)C=C[C@@H]1C.[Na+]
|
|
| MCULE-3743818837 |
0.61 |
C1=C(CO)C(C(OC(=O)CC(C)C)C(C1O)C(C)C)=O
|
|
| MCULE-1215497093 |
0.61 |
[C@]1([H])([C@H](CCCC(C)C)O)[C@H](CO)COC1=O
|
|
| MCULE-8015641642 |
0.61 |
C1CC2(C)C3CCC4C5C(C(C)=C)CCC5(C(=O)O)CCC4(COC(=O)C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-4332598389 |
0.61 |
C1C(C)OC(=O)CC(O)C(O)CC(=O)C1
|
|
| MCULE-4559726552 |
0.61 |
O1CCCC(CC=C)C1=O
|
|
| MCULE-1811747140 |
0.61 |
CCCCCC(O)C1C(CO)COC1=O
|
|
| MCULE-6633387383 |
0.61 |
C1(CO)COC(=O)C1C(O)CCCC(C)C
|
|
| MCULE-3163186560 |
0.61 |
[C@@H]1([C@H](CCCCC)O)[C@H](CO)COC1=O
|
|
| MCULE-6886775784 |
0.61 |
[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(C)=O)C2(C)C)C(OC)=O
|
|
| MCULE-6535187675 |
0.61 |
CCC1OCC2(C(=O)OC(=O)C2)C1
|
|
| MCULE-4573476108 |
0.61 |
CCCC1C2(C(=O)OC(=O)C2)COC1
|
|
| MCULE-4458928847 |
0.61 |
CC(C1OCC2(C(=O)OC(=O)C2)C1)C
|
|
| MCULE-8234847813 |
0.61 |
[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-2234048518 |
0.61 |
CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-9207728452 |
0.61 |
CC1(C2CCC3(C4(C)C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CC(=O)C3C2(C)CCC1OC(CCC(=O)O)=O)C)C
|
|
| MolPort-046-764-829 |
0.61 |
[NH4+].[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12)C([2H])([2H])[2H]
|
|
| MolPort-001-739-397 |
0.61 |
CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-001-739-296 |
0.61 |
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
|
|
| MolPort-001-942-709 |
0.61 |
CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12
|
|
| MolPort-023-220-532 |
0.61 |
N.CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-002-511-342 |
0.61 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-020-005-696 |
0.61 |
C[C@@H]1CCC[C@@]2(C)C[C@@H]3OC(=O)C(=C)[C@@H]3C=C12
|
|
| MolPort-044-724-000 |
0.61 |
[NH4+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@H]([O-])CC(O)=O)[C@H]12
|
|
| MolPort-010-969-350 |
0.61 |
CC1CCC[C@]2(C)CC3OC(=O)C(=C)C3C=C12
|
|
| MolPort-003-850-249 |
0.61 |
[NH4+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-801-803 |
0.61 |
CC12CCC(O1)C1COC(=O)C21C
|
|
| MolPort-003-801-801 |
0.61 |
CC12CCC(O1)C1(C)C2COC1=O
|
|
| MolPort-002-806-662 |
0.61 |
CC(=O)OCC12COC(=O)C1(C)C1CCC2O1
|
|
| MolPort-046-426-267 |
0.61 |
CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2([C@@H]3[C@H](O)[C@@H](C)[C@H]4O)\C(C)=C/[C@@H](C)[C@H](OC1=O)[C@@H](C)O
|
|
| MolPort-001-742-405 |
0.61 |
C\C=C(\C)C(=O)O[C@@H]1C(=C)C2CC11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
|
|
| MolPort-046-153-031 |
0.61 |
CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(CC=C34)C3COC(C(O)C3)C(C)(C)O)C12C
|
|
| MolPort-023-278-236 |
0.61 |
[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O
|
|
| MolPort-046-792-772 |
0.61 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1CC(C)(O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-044-728-864 |
0.61 |
[Na+].C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]34C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC([O-])=O
|
|
| MolPort-023-219-582 |
0.61 |
[Na+].CC[C@H](C)C(=O)OC1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-885-849 |
0.61 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-941-625 |
0.61 |
[NaH].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-005-945-522 |
0.61 |
CC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-046-690-129 |
0.61 |
[Na+].C[C@@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-761-619 |
0.61 |
[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O
|
|
| MolPort-046-763-074 |
0.61 |
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-006-395-743 |
0.61 |
[Na+].[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-849-962 |
0.61 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-790-373 |
0.61 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-046-689-946 |
0.61 |
[Na+].CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-039-338-527 |
0.61 |
C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@]12O[C@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C
|
|
| MolPort-039-338-354 |
0.61 |
COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C
|
|
| MolPort-039-101-184 |
0.61 |
CCCCCC(O)C1C(CO)COC1=O
|
|
| MolPort-039-052-442 |
0.61 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C=C2)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-007-980-881 |
0.61 |
CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-046-790-454 |
0.61 |
CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)=C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C1/C=O
|
|
| MolPort-038-386-613 |
0.61 |
CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
|
|
| MolPort-001-739-880 |
0.61 |
CCCCC[C@H](O)[C@@H]1[C@H](CO)COC1=O
|
|
| MolPort-019-931-873 |
0.61 |
CC(C)CCCC(O)C1C(CO)COC1=O
|
|
| MolPort-035-683-181 |
0.61 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-029-943-062 |
0.61 |
CC1CCC(=O)CC(O)C(O)CC(=O)O1
|
|
| MolPort-005-944-142 |
0.61 |
CC(C)CCC[C@H](O)[C@@H]1[C@H](CO)COC1=O
|
|
| MolPort-002-525-792 |
0.61 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-002-801-253 |
0.61 |
COC(=O)C12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-000-724-808 |
0.61 |
CC1CC2(CCC=C(C)C)CCC1(COC(C)=O)CO2
|
|
| MolPort-002-513-897 |
0.61 |
CC1C[C@]2(CCC=C(C)C)CC[C@@]1(COC(C)=O)CO2
|
|
| MolPort-046-764-699 |
0.60 |
C[C@H]1C[C@@H](O)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
|
|
| MolPort-002-528-161 |
0.60 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(C)=O
|
|
| MolPort-027-847-947 |
0.60 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(C)=O
|
|
| MolPort-001-739-325 |
0.60 |
OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(O)=O
|
|
| MolPort-046-418-658 |
0.60 |
CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-046-765-459 |
0.60 |
C[C@]12C[C@H]3O[C@]33C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](CC1=CC(=O)CC[C@@]31C)C(O)=O
|
|
| MolPort-002-526-956 |
0.60 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@H](C)[C@H]13)C(C)=CC2=O
|
|
| MolPort-046-153-172 |
0.60 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2O
|
|
| MolPort-046-689-861 |
0.60 |
[Na+].C[C@H](O)[C@H](C)C(O)[C@@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O1
|
|
| MolPort-035-706-335 |
0.60 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-005-944-833 |
0.60 |
CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-001-742-439 |
0.60 |
C\C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C
|
|
| MolPort-001-741-949 |
0.60 |
OCC(=C)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC\C(CO[C@@H]3O)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-001-742-169 |
0.60 |
CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-039-338-416 |
0.60 |
C[C@@H]1[C@H]2CC(=O)[C@@](C)(O)C[C@H]2OC1=O
|
|
| MolPort-046-158-398 |
0.60 |
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-046-418-951 |
0.60 |
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)C2=CC[C@@H]2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
|
|
| MolPort-021-804-682 |
0.60 |
CC(=O)OC1C(O)C2(C)OC(CC2C2(C)CCCC(C)(C)C12)C(C)(O)C=C
|
|
| MolPort-046-153-753 |
0.60 |
C\C=C(\C)C(=O)OC1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
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|
| MolPort-046-196-931 |
0.60 |
[Na+].CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC([O-])=O)C12
|
|
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0.60 |
OC(=O)C1C2CC(C=C2)C1C(=O)OC1CC2CCC1C2
|
|
| MolPort-003-848-428 |
0.60 |
[Na+].[2H]C([2H])([2H])C(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-848-427 |
0.60 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-690-532 |
0.60 |
[Na+].CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-044-723-377 |
0.60 |
C[C@H](CC(=O)C(=C)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-005-944-399 |
0.60 |
COC(=O)C1(C)OC(=O)C2C3(C)C(CC4C(C)(C)C(=O)CCC4(C)C3CC(=C)C2(C)C1=O)OC(C)=O
|
|
| MolPort-021-804-860 |
0.60 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C=CC(=O)OC4(C)C)C3CC(=C)C2(C)C1=O)OC(C)=O
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|
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0.60 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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0.60 |
C[C@@]12CCC[C@](C)([C@H]1[C@H](O)C[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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|
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0.60 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
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|
| MolPort-005-944-934 |
0.60 |
CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
|
|
| MolPort-005-944-999 |
0.60 |
C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@H](C\C(C)=C/C(=O)/C=C1\C)OC(=O)C2=C
|
|
| MolPort-002-512-360 |
0.60 |
C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2OC(=O)C1CCCCC1
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0.60 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1[C@H](CC(C)=O)OC(C)=O
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0.60 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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0.60 |
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=CC(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
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0.60 |
CC12OC(C=C1)C1C2C(=O)OC1=O
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0.60 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
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CC1C(O)C2C=C(C)C3CC4C(C3C2C1O)C1C(=O)OC2CCC4(C)OC1(O)C2C
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0.60 |
CC1CC(=O)C2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12
|
|
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0.60 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
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0.60 |
OC(=O)C1CC(=O)OC11CCCCC1
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0.60 |
CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
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0.60 |
CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
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0.60 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
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0.60 |
CC12OC(C)(C=C1)C1C2C(=O)OC1=O
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0.60 |
CCCCCCCCCCC[C@@H]1C[C@@H](O)[C@@H](CCCCCC)C(=O)O1
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|
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0.60 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
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|
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0.60 |
C\C=C(/C)C(=O)O[C@@H]1C=CC(=C)C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C
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0.60 |
CCCCCC1CC(O)CC(=O)O1
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|
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0.60 |
COC(=O)[C@]12C(O)=C(C)C(=O)[C@@]1(C)C(C)=CC1[C@@]34CC[C@@H](OC(C)=O)C(C)(C)C3C(C[C@@]21C)OC4=O
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0.60 |
COC(=O)C1CC1C(=O)OC1C2CCCOC2C1(C)C
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|
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0.60 |
COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
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|
| MCULE-2092078447 |
0.60 |
C1(C(OC(C1(C(O)=O)O)C(O)=O)=O)CCCCCCCCC=C
|
|
| MCULE-6415597267 |
0.60 |
[C@]12(C)C[C@@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
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| MCULE-9070200931 |
0.60 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C2OC2(C)C1
|
|
| MCULE-2185195019 |
0.60 |
[C@@H]1(OC(C)=O)[C@@H](C(C)C)[C@@H](OC(=O)/C(/C)=C/C)C=C(CO)C1=O
|
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| MCULE-3035603698 |
0.60 |
C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
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| MCULE-5045812758 |
0.60 |
C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
|
|
| MCULE-5987300664 |
0.60 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3)C(OCC)=O
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0.60 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(CO)=O)OC(C)=O)OC(C)=O
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0.60 |
O1C(=O)C2C(O)C3CC1C2C3
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|
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0.60 |
C1(=O)C[C@@]2([C@@H](C)C(=O)O[C@]2([H])C[C@@]1(O)C)[H]
|
|
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0.60 |
C1CC2(C)C3CC(C(O)(C=C)C)OC3(C)C(O)C(OC(C)=O)C2C(C)(C)C1
|
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0.60 |
[C@@]12(C)C(=O)OC[C@@H]1C1(CCC2O1)CO
|
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0.60 |
C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
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0.60 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
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| MCULE-7155641625 |
0.60 |
C(=O)(OC1CC2CC1CC2)C1C(C(O)=O)C2CC1C=C2
|
|
| MCULE-9566808009 |
0.60 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C
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| MCULE-7505841337 |
0.60 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MCULE-3903147146 |
0.60 |
C1CC2(C3C(C(CC2C(C)(C1=O)C)OC(=O)C)(C1C(OC(C(C1(C(=C)C3)C)=O)(C)C(OC)=O)=O)C)C
|
|
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0.60 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC.[Na+]
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|
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0.60 |
[Na+].O=C(C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@@H](C[C@@H]2OC(=O)C(CC)(C)C)C)C=C[C@@H]1C)O)O)[O-]
|
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| MCULE-7557744061 |
0.60 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
|
|
| MCULE-2943378861 |
0.60 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(C1CCCCC1)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-2852293806 |
0.60 |
C12(C)C=CC(=O)OC(C)(C)C1CC(OC(C)=O)C1(C)C3C(=O)OC(C)C(=O)C3(C)C(=C)CC12
|
|
| MCULE-1120014260 |
0.60 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C([C@@H](OC(=O)C)CC(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-8720311593 |
0.60 |
C1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H](OC(=O)/C(=C\C)/C)C(=CC(=O)C=1)C)C
|
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0.60 |
C1(=O)C[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4([H])[C@@H](OC(/C=C(/C)\C)=O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=O)OC
|
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| MCULE-2794249583 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
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|
| MCULE-6406474540 |
0.60 |
C(CCC)CC1OC(=O)CC(O)C1
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|
| MCULE-1085736388 |
0.60 |
C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
|
|
| MCULE-3501875786 |
0.60 |
[C@@H]12[C@@H](CC[C@]3(C)[C@@H](C=CC(=C)C31)OC(=O)C(C)=CC)[C@H](C(=O)O2)C
|
|
| MCULE-6004210718 |
0.60 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-8024539765 |
0.60 |
O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-4705767397 |
0.60 |
C1(CC(OC21CCCCC2)=O)C(O)=O
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| MCULE-3574561675 |
0.60 |
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
|
|
| MCULE-3889682039 |
0.60 |
C12(CC(OC1=O)=O)CCC(=C)C2(C)C
|
|
| MCULE-2709086584 |
0.60 |
C12C3C(O)C(C)C(O)C3C=C(C)C1CC1C3(C)CCC4OC(=O)C(C12)C(O)(C4C)O3
|
|
| MCULE-8845052705 |
0.60 |
C12C(=O)OC(=O)C1C1C=CC2(C)O1
|
|
| MCULE-7604220648 |
0.60 |
O1C23C4(C5(C6(CCC15C=C2)C=CC4(CC3)O6)C(OC)=O)C(OC)=O
|
|
| MCULE-9703810188 |
0.60 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC(C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC3C21O3)=O
|
|
| MCULE-9817931097 |
0.60 |
O1C(=O)C2CC(=C)CC2C1=O
|
|
| MCULE-4661795097 |
0.60 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-1759828525 |
0.60 |
[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-8772466243 |
0.60 |
C1CC23CCOC(=O)C2(CCCC3)CC=1
|
|
| MCULE-1256663608 |
0.60 |
C1(=O)CC2(C)C(CCC(C)CCOC(=O)C)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-6635928611 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC(OC)=O)(CCC4C3CC=C2C1)OC(C)=O
|
|
| MCULE-7059746928 |
0.60 |
COC(C1C(C(OC2C(C)(C)C3C2CCCO3)=O)C1)=O
|
|
| MCULE-7364536785 |
0.60 |
C(/C(=C/C)/C)(O[C@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C)=O
|
|
| MCULE-9605632489 |
0.60 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@]1([H])[C@@H](O)CC=2C
|
|
| MCULE-8267103874 |
0.60 |
C12C(C)=CC(=O)C1=C(C)C[C@H](O)C1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-9182352754 |
0.60 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-9823859068 |
0.60 |
C12C(C)=CC(=O)C1=C(C)CC(O)C1C(C(=O)OC21)C
|
|
| MCULE-4236608409 |
0.60 |
C(O[C@]12C(C)(C)[C@@]1([H])[C@@]1([H])C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C1)[C@H](C)C2)(=O)CCCCCCCCCCC
|
|
| MCULE-9689647613 |
0.60 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](O)[C@@]1([H])[C@H](C(=O)O[C@H]21)C
|
|
| MCULE-3492234187 |
0.60 |
O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
|
|
| MCULE-7846274654 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-7472025598 |
0.60 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-9301632354 |
0.60 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-6635690519 |
0.60 |
C1(OC2(CC=C[Si](C)(C)C)CC3C4C5C6C73C1(C24)C5CC6(CC=C[Si](C)(C)C)OC7=O)=O
|
|
| MCULE-2307310731 |
0.60 |
[C@]1(C(=O)CO)(OC(=O)CCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C
|
|
| MCULE-3859706810 |
0.60 |
[H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3([H])[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(OC(CCC)=O)CC2)CCC(=O)C=4)[H]
|
|
| MCULE-2019795890 |
0.60 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-2058016705 |
0.60 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-5089449970 |
0.60 |
C12(C(=O)COC(C)=O)C(O1)CC1([H])C3(C([H])(CCC21C)C1(C)CCC(CC1=CC3)O)[H]
|
|
| MCULE-9489909920 |
0.60 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-5041290339 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
|
|
| MCULE-7068002290 |
0.60 |
C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O
|
|
| MCULE-5546761279 |
0.60 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)(OC)=O
|
|
| MCULE-8750715978 |
0.60 |
C12(COCC(C(C)=CC1C)C2C)COC(C)=O
|
|
| MCULE-8928558825 |
0.60 |
C12C(C)OCC(COC(C)=O)(CC=C1C)C2
|
|
| MCULE-6921575032 |
0.60 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O
|
|
| MCULE-1889700737 |
0.60 |
[Na+].CC12CCC3([H])C(C(OC(=O)CCC([O-])=O)CCC3(C)C1([H])C(C=C1C3([H])CC(C)(C(O)=O)CCC3(C)CCC21C)=O)(C)C
|
|
| MCULE-2804316805 |
0.60 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-8345937454 |
0.60 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5380330078 |
0.60 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-2597929771 |
0.60 |
O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)C(C)=O
|
|
| MCULE-7135107425 |
0.60 |
[Na+].[Na+].[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-1871622668 |
0.60 |
CC(=C)C(=O)OC1CC2CC1C=C2
|
|
| MCULE-3656083222 |
0.60 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C
|
|
| MCULE-5079538770 |
0.60 |
C1CC2(C)C3([H])CCC4(C)C([H])(C(CCCC(C)C)C)CCC4([H])C3([H])CC=C2CC1OC(CCC(=O)OCC)=O
|
|
| MCULE-5167148308 |
0.60 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2)CC
|
|
| MCULE-9403520396 |
0.60 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)CC
|
|
| MCULE-3464870838 |
0.60 |
C12(COC(C)=O)CC=C(C(C(C)OC1)C2C)C
|
|
| MCULE-1665605717 |
0.60 |
[Na+].[Na+].CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-3653730981 |
0.60 |
O=C1OC(=O)C2(CC(C3CC3)OC2)C1
|
|
| MCULE-4566201442 |
0.60 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5(C4(CCC2(O)C1)OC3=O)[H])C(COC(C)=O)=O
|
|
| MCULE-1706413763 |
0.60 |
C(OCC1CCC2OC2C1)(=O)C(=C)C
|
|
| MCULE-9134508230 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O
|
|
| MCULE-1261967217 |
0.60 |
[H]C12CCCCC1(C)C1CC(C3(C)CCC(C3(O)C1C(C2)OC(C)=O)=O)OC(C)=O
|
|
| MCULE-1245334026 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@@]4(CCC(=O)O4)C)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C)[H]
|
|
| MCULE-1605621815 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(=C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
|
|
| MCULE-8920532684 |
0.60 |
[C@]12(O)[C@H](C)[C@@]3([H])CC[C@@](C)(O1)[C@]1([C@]([H])([C@@]4([H])[C@@](C1)([H])C(C(O)=O)=C[C@]1([H])[C@H]([C@H](C)[C@@H](O)[C@]41[H])OC(C)=O)[C@@]2([H])C(O3)=O)[H]
|
|
| MCULE-6166946540 |
0.60 |
O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1
|
|
| MCULE-1423169810 |
0.60 |
C12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@]1(O[C@H]1[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O)CO
|
|
| MCULE-8663661247 |
0.60 |
C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
|
|
| MCULE-4242284738 |
0.60 |
C12(CCC(C3C(=O)OC(=O)C13)C=C2)C(=O)O
|
|
| MCULE-5014476622 |
0.60 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-4824233854 |
0.60 |
C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
|
|
