| MCULE-7555892876 |
1 |
O=C1OCC([C@@H]2[C@]3(C)[C@]([C@]4([C@@](CC3)([H])[C@]3(C)[C@](C[C@H](CC3)O)([H])CC4)[H])(O)CC2)=C1 |
|
| MCULE-2541512222 |
1 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1 |
|
| MCULE-5690818300 |
1 |
OC12CCC(C3=CC(=O)OC3)C1(CCC1([H])C3(CCCCC3([H])CCC21[H])C)C |
|
| MCULE-6340794511 |
1 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)OC(C)=O)[H])C1COC(=O)C=1 |
|
| MCULE-1542720935 |
1 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(O)C2)C1COC(=O)C=1 |
|
| MCULE-7391544076 |
1 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1 |
|
| MolPort-001-742-647 |
1 |
COc1cc2ccc(=O)oc2c(CC=C(C)C)c1OC |
|
| MCULE-2575982393 |
0.98 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O |
|
| MCULE-8328775128 |
0.98 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@](C5=CC(=O)OC5)([H])CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O |
|
| MCULE-2818532213 |
0.98 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-4097681428 |
0.98 |
[C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@]([C@H](O)C1)(C)[C@@H](C1=CC(=O)OC1)CC3)CC2 |
|
| MCULE-7243993523 |
0.98 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(CO)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5993142660 |
0.98 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(O)CC1C3(C(CC(CC3)O)CCC12)C |
|
| MCULE-4697381379 |
0.98 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3919630131 |
0.98 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CC(O)C1C2CCC2CC(O)CCC21C |
|
| MCULE-5124685906 |
0.98 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3(O)CC[C@]2([H])C[C@H]1O |
|
| MCULE-5598679764 |
0.98 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21C |
|
| MolPort-021-804-794 |
0.94 |
COc1cc2ccc(=O)oc2c(CC=C(C)C)c1O |
|
| MolPort-021-804-794 |
0.94 |
COc1cc2ccc(=O)oc2c(CC=C(C)C)c1O |
|
| MCULE-8399347131 |
0.93 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(C)CCC(=O)C2)C1COC(=O)C=1 |
|
| MCULE-8236546660 |
0.93 |
O(C(=O)C)[C@@H]1C[C@@H](C)[C@@](O)([C@@]2(C1C(C)(C)CCC2)C)CCC1COC(=O)C=1 |
|
| MCULE-4678762535 |
0.93 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1 |
|
| MCULE-2748824939 |
0.93 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1 |
|
| MCULE-8914845141 |
0.93 |
C(C)(=O)OC1CCC2(CO)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1 |
|
| MCULE-9485008266 |
0.92 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](CC1[C@@]3([C@]([H])(C[C@H](CC3)OC(C)=O)CC[C@]12[H])C)OC(C)=O |
|
| MCULE-3183629646 |
0.90 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21 |
|
| MCULE-8928562205 |
0.90 |
C(C)(=O)OC1CC(O)C2(CO)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O |
|
| MCULE-6377189094 |
0.90 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O |
|
| MCULE-4569544045 |
0.89 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1 |
|
| MCULE-6660850303 |
0.89 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-7571794100 |
0.89 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2 |
|
| MCULE-4895972010 |
0.89 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3017671740 |
0.89 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O)OC(C)=O |
|
| MCULE-4630794584 |
0.89 |
C12(C=O)CC[C@H](CC1(O)CC[C@@]1([H])CC3(C(C)(CC(C3)C3COC(=O)C=3)C[C@]21[H])O)O |
|
| MCULE-8590167000 |
0.89 |
C1(O)CCC2(C)C3CCC4(C)C(C5COC(=O)C=5)C(O)CC4(O)C3CCC2C1 |
|
| MCULE-6747628390 |
0.89 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-2962714006 |
0.89 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(O)=O |
|
| MCULE-2147966582 |
0.89 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@H](O)C=2)C1COC(=O)C=1 |
|
| MCULE-7353523388 |
0.89 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)O |
|
| MCULE-4401364485 |
0.89 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@](O)(C5COC(=O)C=5)CC[C@]4(O)C3CCC2C[C@H]1O |
|
| MolPort-000-881-851 |
0.89 |
COc1ccc2ccc(=O)oc2c1CC=C(C)C |
|
| MCULE-5582341030 |
0.88 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)O)C#N |
|
| MCULE-7798689787 |
0.88 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C#N |
|
| MCULE-5595198949 |
0.88 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(OC)=O |
|
| MCULE-1502775418 |
0.87 |
C12=CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)[H])C1COC(=O)C=1 |
|
| MCULE-5979426935 |
0.86 |
C12C(C)(C)CCCC1(C)OC(=O)C=2 |
|
| MCULE-2982639627 |
0.86 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O |
|
| MCULE-2185361459 |
0.86 |
O1C(C=C2[C@@]1(C)CCCC2(C)C)=O |
|
| MCULE-5214550861 |
0.86 |
C12C(C)(C)CCC[C@]1(C)OC(=O)C=2 |
|
| MCULE-4858829873 |
0.86 |
CC1(C)C2=CC(O[C@]2(C)CCC1)=O |
|
| MCULE-7003052133 |
0.85 |
[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-1441261356 |
0.85 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5234178765 |
0.85 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC=C4[C@]3([H])CC[C@@]2([H])C[C@H]1O |
|
| MCULE-9326656323 |
0.85 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1 |
|
| MCULE-9285741650 |
0.84 |
C1C[C@@]2(C([C@@H](C[C@@H](C)[C@]2(O)CCC2=CC(=O)OC2O)O)[C@@](C)(CO)C1)C |
|
| MCULE-3099528969 |
0.84 |
C12(CCC(CC1(O)CC[C@]1([H])[C@]2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(C)=O)C#N |
|
| MCULE-4739282187 |
0.84 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(C)=O)C#N |
|
| MolPort-035-705-770 |
0.84 |
COc1cc(OC)c2ccc(=O)oc2c1CC=C(C)C |
|
| MolPort-035-705-770 |
0.84 |
COc1cc(OC)c2ccc(=O)oc2c1CC=C(C)C |
|
| MCULE-9797478674 |
0.83 |
C1C(=O)OC(CCCCCC(C(O)C)C)C=1 |
|
| MCULE-5561830636 |
0.83 |
C1(=O)C=CC(CCCCCCCCCCCCC)O1 |
|
| MCULE-6024774190 |
0.83 |
C1C(=O)OC(CCCCCC(CC)(O)C)C=1 |
|
| MCULE-7577519245 |
0.83 |
C1(=O)C(C)=C(CO1)CCCCC(O)C(C)O |
|
| MCULE-5675720715 |
0.82 |
[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-1228200157 |
0.82 |
C1[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]2([H])C[C@@H]1O |
|
| MCULE-4388066404 |
0.82 |
C1[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]12[H] |
|
| MCULE-4072737339 |
0.82 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)CC2C(C)(CO)C1 |
|
| MCULE-3307164216 |
0.82 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)ON(=O)=O)[H])C1COC(=O)C=1 |
|
| MCULE-1385802339 |
0.82 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)ON(=O)=O)[H])C1COC(=O)C=1 |
|
| MCULE-3087856332 |
0.82 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C=O)CC[C@H](O)C=2)C1COC(=O)C=1 |
|
| MCULE-7793896949 |
0.82 |
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-5854292644 |
0.82 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1 |
|
| MCULE-7045262498 |
0.82 |
C1CC=C[C@]2([H])C[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)C1 |
|
| MCULE-7768079101 |
0.82 |
O1[C@H](C)CCCC=C[C@@]2([H])C[C@@H](O)C[C@]2([H])[C@H](C=CC1=O)O |
|
| MCULE-1898871437 |
0.82 |
C12CC(CC1C=CCCCC(C)OC(=O)C=CC2O)O |
|
| MCULE-3094170088 |
0.82 |
O=C1C=C[C@@H](O)[C@@]2([H])[C@](C[C@@H](C2)O)([H])C=CCCC[C@H](C)O1 |
|
| MCULE-4804864002 |
0.82 |
[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-5014476622 |
0.81 |
[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-7717916149 |
0.81 |
C12CC3=C(C)C(=O)OC3CC(O)(C)C1CCC2(C)O |
|
| MCULE-1014190195 |
0.81 |
C1(OCC(=C1C)CCCCC(=O)O)=O |
|
| MCULE-1668194860 |
0.81 |
C1CC2(C)C3CCC4(C)C(C5=CC(=O)OC5OC)CCC4(O)C3CCC2CC1O |
|
| MCULE-1524945873 |
0.81 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1 |
|
| MCULE-3654721932 |
0.81 |
C12C3C4C5C1C(C1C5C(C4CC3=CC(OCC)=O)CC1=CC(=O)OCC)C1OC21 |
|
| MCULE-7048270500 |
0.81 |
C1CC2(C)CC3OC(=O)C(C)=C3CC2C(=C)C1O |
|
| MolPort-001-740-399 |
0.80 |
CC(C)=CCc1c(O)ccc2ccc(=O)oc12 |
|
| MCULE-4529551060 |
0.80 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O |
|
| MCULE-4668660484 |
0.80 |
C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C |
|
| MCULE-1659372694 |
0.80 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@H](O)C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)O)CC/C=C(/C)\C)O |
|
| MCULE-8921610933 |
0.80 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])/C(/[C@@H](OC(=O)C)C[C@]21C)=C(/C(=O)O)\CC/C=C(/C)\C)O)O |
|
| MCULE-1322261917 |
0.80 |
C12(O)CC(C([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)OC(C)=O)[H])C1COC(=O)C=1)OC(C)=O |
|
| MCULE-4654267035 |
0.80 |
C12(C)CC(C(=C(CC/C=C(\C)/C)C(O)=O)C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O |
|
| MCULE-2917275236 |
0.80 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O |
|
| MCULE-3230983688 |
0.80 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)C(CC4(O)C3CCC2C1)OC(C)=O |
|
| MolPort-023-279-018 |
0.79 |
COc1cc2cc(CC=C(C)C)c(=O)oc2cc1O |
|
| MolPort-023-279-018 |
0.79 |
COc1cc2cc(CC=C(C)C)c(=O)oc2cc1O |
|
| MCULE-6831179748 |
0.79 |
[Na+].[C@]12(C)CC[C@@]3([H])[C@H](C)[C@H](O)CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)[O-])CC/C=C(/C)\C)O |
|
| MCULE-3199220563 |
0.79 |
C1(C)(C)OC2CC(C3(CO)C4C(O)CC5(C)C(C6COC(C=6)=O)CCC5(O)C4CCC3(O)C2)O1 |
|
| MCULE-1547433143 |
0.79 |
[C@@]12(CCC(CC1(O)CCC1([H])[C@]2([H])CCC2(C1(O)CC[C@H]2C1COC(=O)C=1)C)ON(=O)=O)CON(=O)=O |
|
| MCULE-9055590032 |
0.79 |
[Na+].[C@]12(C)C[C@@H](C(=C(CC/C=C(/C)\C)C(=O)[O-])[C@]1([H])C[C@H]([C@]1([H])[C@]2(C)CC[C@@]2([C@]1(C)CC[C@@H](O)[C@H]2C)[H])O)OC(C)=O |
|
| MCULE-4361481556 |
0.79 |
O1C(C)(C)OCC23C1CC(O)CC2(O)CCC1C2(O)CCC(C4COC(C=4)=O)C2(C)CC(O)C31 |
|
| MCULE-1147559094 |
0.79 |
[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)ON(=O)=O)CON(=O)=O |
|
| MCULE-2060297166 |
0.79 |
C1C(O)C2(C)C3CC4(O)OC(=O)C=C4C(C)C3CCC2C(C)(C)C1 |
|
| MCULE-8381855401 |
0.79 |
O[C@@H]1C[C@H]2/C(/[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]3[C@H](C)[C@H](O)CC[C@]3(C)[C@H]12)OC(C)=O)=C(/C([O-])=O)\CC/C=C(/C)\C.[Na+] |
|
| MCULE-9599862192 |
0.79 |
[Na+].C12(C)CC(C(=C(CC/C=C(/C)\C)C(=O)[O-])C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O |
|
| MCULE-9259099766 |
0.79 |
C12(CCC(CC1(O)CCC1C2CCC2(C1(O)CCC2C1COC(=O)C=1)C)O)CON(=O)=O |
|
| MCULE-8302542414 |
0.79 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H] |
|
| MCULE-1216188840 |
0.79 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O |
|
| MCULE-5077019992 |
0.79 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)CON(=O)=O |
|
| MCULE-2286713902 |
0.79 |
C1C(OC(C)=O)C2(C(CC3C(OC(=O)C=3C)C2)C(=C)C1)C |
|
| MolPort-005-945-891 |
0.78 |
COc1c2ccoc2c(CC=C(C)C)c2oc(=O)ccc12 |
|
| MolPort-019-937-457 |
0.78 |
COc1cc2cc(c(=O)oc2cc1OC)C(C)(C)C=C |
|
| MolPort-005-945-706 |
0.78 |
COc1c(O)cc2c(oc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c1CC=C(C)C |
|
| MolPort-019-937-457 |
0.78 |
COc1cc2cc(c(=O)oc2cc1OC)C(C)(C)C=C |
|
| MCULE-8190432260 |
0.78 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NO)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5841477456 |
0.78 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C=NO)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-6317272202 |
0.78 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O |
|
| MCULE-1868424196 |
0.78 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O |
|
| MCULE-6316183897 |
0.78 |
O1C23C4CCC(C5COC(C=5)=O)C4(C)CCC2C2(C1O)CCC(O)CC2(O)CC3 |
|
| MCULE-3257279479 |
0.78 |
C12(O)CCC(C1(C)CCC1C2CCC2([C@]1(C=NO)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3014159189 |
0.77 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3O |
|
| MCULE-8810317888 |
0.77 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1 |
|
| MCULE-3732438270 |
0.77 |
C(O)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O |
|
| MCULE-1003112205 |
0.77 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=O)CCC(C2)ON(=O)=O)[H])C1COC(=O)C=1 |
|
| MCULE-1412860330 |
0.77 |
[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](C2)ON(=O)=O)[H])C1COC(=O)C=1 |
|
| MCULE-2476844831 |
0.77 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1 |
|
| MCULE-7541323970 |
0.77 |
C1C(=O)OC(CCCCCC(C(=O)C)C)C=1 |
|
| MCULE-6193394453 |
0.77 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(COC(=O)C)C1 |
|
| MCULE-9817372120 |
0.76 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O |
|
| MCULE-8879489618 |
0.76 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1 |
|
| MCULE-3965188829 |
0.76 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C |
|
| MCULE-7252099279 |
0.76 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C |
|
| MCULE-3178410726 |
0.76 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1 |
|
| MCULE-4827454681 |
0.76 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O |
|
| MCULE-4463956225 |
0.76 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(CO)C1 |
|
| MCULE-2357370492 |
0.76 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O |
|
| MCULE-1310747899 |
0.76 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1 |
|
| MCULE-8091940383 |
0.76 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1 |
|
| MCULE-3713246373 |
0.76 |
[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(CCl)=O)C2)O)C1COC(=O)C=1 |
|
| MCULE-1226258144 |
0.76 |
C(OC)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O |
|
| MCULE-7055938722 |
0.76 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H] |
|
| MCULE-5172881076 |
0.76 |
C12(O)CCC(C3COC(=O)C=3)C1(C)CCC1([H])C2([H])CCC2(O)CC(CCC12C=O)OC(CBr)=O |
|
| MCULE-4184770590 |
0.76 |
[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(CBr)=O)C2)O)C1COC(=O)C=1 |
|
| MCULE-2606384678 |
0.76 |
[C@@H]1(C[C@@]2([H])[C@@](C(CO)=C1)(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)O |
|
| MCULE-5929092480 |
0.76 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O |
|
| MCULE-1443616160 |
0.76 |
CC1C(CCC2COC(=O)C=2)(C)C2CC(O)C=C(CO)C2(COC(C)=O)CC1 |
|
| MolPort-005-944-812 |
0.75 |
COc1cc2oc(=O)ccc2cc1CC=C(C)C |
|
| MCULE-4824360118 |
0.75 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C |
|
| MCULE-2104971598 |
0.75 |
C1C[C@]2(C)[C@@]([H])(CCC3=CC(=O)OC3O)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1 |
|
| MCULE-5530658305 |
0.75 |
O1C(C)CCC(O)C=CC(=O)OC(C)CCC(O)C=CC1=O |
|
| MCULE-6050817620 |
0.75 |
C1(C(O)C2(CO2)C2(C)C(C(C(CC2)C)(CCC2=CC(=O)OC2O)C)C1)O |
|
| MCULE-7613417621 |
0.75 |
O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1 |
|
| MCULE-5943290394 |
0.75 |
C1(=O)C=C[C@@H](O)CC[C@@H](C)OC(C=C[C@@H](O)CC[C@@H](C)O1)=O |
|
| MCULE-1592446720 |
0.75 |
C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C |
|
| MCULE-3090499793 |
0.75 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O |
|
| MCULE-2629096958 |
0.75 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=NO)CCC(OC(C)=O)C2)O)C1COC(=O)C=1 |
|
| MCULE-6317774895 |
0.75 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O |
|
| MCULE-8053147871 |
0.75 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NO)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1 |
|
| MCULE-9616259526 |
0.75 |
C12CCCCCC=1C(=O)OC2=O |
|
| MCULE-7326161622 |
0.75 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O |
|
| MCULE-7982451162 |
0.75 |
O1C23C4CCC(C5COC(C=5)=O)C4(C)CCC2C2(C1OC)CCC(O)CC2(O)CC3 |
|
| MCULE-9952768892 |
0.75 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C |
|
| MolPort-021-804-451 |
0.74 |
CC(C)=CCC\C(C)=C\Cc1c(O)ccc2ccc(=O)oc12 |
|
| MolPort-004-954-625 |
0.74 |
Oc1ccc2ccc(=O)oc2c1CC=C |
|
| MolPort-005-944-690 |
0.74 |
COc1c2ccoc2c(c2oc(=O)ccc12)C(C)(C)C=C |
|
| MolPort-021-804-451 |
0.74 |
CC(C)=CCC\C(C)=C\Cc1c(O)ccc2ccc(=O)oc12 |
|
| MCULE-7395356540 |
0.74 |
C1C[C@]2([H])[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)OC)C1 |
|
| MCULE-7118099436 |
0.74 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C=O |
|
| MCULE-2014190393 |
0.74 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C(O)=O |
|
| MCULE-6482288037 |
0.74 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C |
|
| MCULE-3821215089 |
0.74 |
C1C[C@@]2([C@]3(COC(/C(=C/C)/C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC4=CC(=O)OC4)[C@@]3([H])C1)CO2 |
|
| MCULE-3702699592 |
0.74 |
C1CC2(C)C(/C=C/C(=O)O)C(O)(C)C(O)C(OC(C)=O)C2C(C)(C)C1 |
|
| MCULE-1158671172 |
0.74 |
O1C(=O)C2=C(CCCC2)C1=O |
|
| MCULE-1507896508 |
0.74 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](OC(=O)C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C)=O)CO2 |
|
| MCULE-9193800742 |
0.74 |
C1CC(OC(C)=O)C=CCCC1 |
|
| MCULE-9972205159 |
0.74 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(COC(/C(=C/C)/C)=O)[C@@]2(CO2)C1 |
|
| MCULE-9364352705 |
0.74 |
C12CC3(CC3)CC=1C(=O)OC2=O |
|
| MolPort-044-754-147 |
0.73 |
COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C |
|
| MolPort-044-754-147 |
0.73 |
COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C |
|
| MCULE-8519306731 |
0.73 |
[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](C2)ON(=O)=O)O)C1COC(=O)C=1 |
|
| MCULE-9839017109 |
0.73 |
[C@]12(C)CCCC[C@]1([H])C(=C)C1[C@@]([H])(OC(C=1C)=O)C2 |
|
| MCULE-7130271718 |
0.73 |
COC1CCC(OC(C=CC2CC2)=O)CC1 |
|
| MCULE-1354886932 |
0.73 |
C1C[C@@]2([H])C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1 |
|
| MCULE-5920266438 |
0.73 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=C1 |
|
| MCULE-5004523631 |
0.73 |
C(OCC1CCC1)(=O)C([H])=C([H])C1CCC1 |
|
| MCULE-5189438807 |
0.73 |
C1(C(C(/C=C(/C)\CCC2OC(=O)C=C2C)=O)C(C(C(C(O)/C=C(/C)\C)=O)C)CC1)C |
|
| MCULE-5368122801 |
0.73 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2[C@]1(C=NO)CCC(O)C=2)C1COC(=O)C=1 |
|
| MolPort-005-945-831 |
0.72 |
CC(C)=CCc1cc2cc(c(=O)oc2cc1O)C(C)(C)C=C |
|
| MolPort-044-754-195 |
0.72 |
CC(C)=CCc1c2occc2c(O)c2ccc(=O)oc12 |
|
| MolPort-044-754-195 |
0.72 |
CC(C)=CCc1c2occc2c(O)c2ccc(=O)oc12 |
|
| MCULE-7503740182 |
0.72 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1 |
|
| MCULE-7302182157 |
0.72 |
C1(=O)C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)CC[C@@]2(C)C(C)=C1 |
|
| MCULE-6089943254 |
0.72 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1 |
|
| MCULE-2876588696 |
0.72 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O |
|
| MCULE-6698371542 |
0.72 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(CO)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-8771172896 |
0.72 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C |
|
| MCULE-8051121697 |
0.72 |
C1(=CC(=O)OCC2C3CCC(C3(C)C)(C)C2=O)C2CCC(C2(C)C)(C)C1=O |
|
| MCULE-2596206534 |
0.72 |
C1C(O)C2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1 |
|
| MCULE-4881508709 |
0.72 |
C1CC2(C)C3CC(O)C4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2CC1OC1CC(O)C(O)C(C)O1 |
|
| MCULE-4547933367 |
0.72 |
C1CC2C(O)C3OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C |
|
| MCULE-6359752884 |
0.72 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C |
|
| MCULE-9450414421 |
0.72 |
C1(CCCCC1OC(C)=O)=CC(C)C |
|
| MCULE-9995877189 |
0.72 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1 |
|
| MCULE-5291995880 |
0.72 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(C3CCC1(O)CC(O)CC2)Cl |
|
| MCULE-2793985852 |
0.72 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(CO)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-6315971440 |
0.72 |
O1C(=O)C2=C(CCC2)C1=O |
|
| MCULE-3173786533 |
0.72 |
CC(CC1COCC1)=CC(O)=O |
|
| MCULE-7378439721 |
0.72 |
CC(C1CC1)=CC(OCCCCCO)=O |
|
| MCULE-6120531049 |
0.72 |
C1CC2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C |
|
| MCULE-4994703608 |
0.72 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24 |
|
| MCULE-3121691046 |
0.72 |
COC1C(OC(C=C2CC(C)CC2)=O)CCCC1 |
|
| MCULE-3814088870 |
0.72 |
C1C(=O)OC2(CCCCC2)C=1O |
|
| MCULE-2094560228 |
0.72 |
C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C |
|
| MCULE-4669601999 |
0.72 |
[C@]12(O)CC[C@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(CO)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-2738564503 |
0.72 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1 |
|
| MCULE-8656866182 |
0.72 |
C12CC(C)(C)CC=1C(=O)OC2=O |
|
| MCULE-2751425383 |
0.72 |
O1[C@@]2(O)C[C@@]3(C)CCCC(=C)[C@]3([H])CC2=C(C)C1=O |
|
| MCULE-2387300355 |
0.72 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(CO)CCC(C2)OC1CC(O)C(C(C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-7838361683 |
0.72 |
[C@H]1(CCCCC)CC=CC(=O)O1 |
|
| MCULE-1286702458 |
0.72 |
[C@@H]1(CCCCC)CC=CC(=O)O1 |
|
| MCULE-3653695796 |
0.71 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3(O)CC[C@]2([H])C[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1 |
|
| MCULE-7874559421 |
0.71 |
[C@]12(CO)[C@@H](O)C[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])[C@H](O)C[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O[C@@H]1O[C@@H](C)[C@@H]([C@@H](O)[C@H]1O)O |
|
| MCULE-5547786885 |
0.71 |
C12(CO)C(O)CC(CC1(O)CCC1([H])C2([H])C(O)CC2(C1(O)CCC2C1COC(=O)C=1)C)OC1OC(C)C(C(O)C1O)O |
|
| MCULE-1316729655 |
0.71 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O |
|
| MCULE-6668637397 |
0.71 |
O=C(/C=C1/CCC2(OCCO2)CC/1)OCC |
|
| MCULE-1111180585 |
0.71 |
C[C@@H]1[C@@H](O)[C@@H](OC)C[C@H](O[C@@H]2C[C@]3(O)[C@]([C@@H]4[C@@H](CC3)[C@]3(O)[C@]([C@@H](C5=CC(=O)OC5)CC3)(C)CC4)(C)CC2)O1 |
|
| MCULE-1707790411 |
0.71 |
O=C1OC2C(CCC(=CCCC3(C(CCC(=C2)C)O3)C)C)=C1C |
|
| MCULE-8163001276 |
0.71 |
C1CC2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(/C(/C)=C/C)=O)CO2 |
|
| MCULE-9093728561 |
0.71 |
C1C[C@]2(C)C3C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@]3([H])[C@@H](O)[C@@H](OC(C)=O)C2[C@@](COC(=O)C)(C)C1 |
|
| MCULE-2501469853 |
0.71 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])[C@@H]1OC(C)=O)CO2 |
|
| MCULE-2442515222 |
0.71 |
C1C[C@]2([H])[C@@](C)(CCC3=CCOC3=O)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=C1 |
|
| MCULE-4936356690 |
0.71 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CCC2[C@@H](OC)OC(=O)C=2)C)C)C(C)=C1 |
|
| MCULE-2011447962 |
0.71 |
O([C@H]1C[C@]2(O)[C@@](CC1)(C)C1CC[C@]3(C)[C@@H](C4COC(=O)C=4)CC[C@]3(O)C1CC2)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
|
| MCULE-3902728046 |
0.71 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(CO)CC[C@@H](C2)OC1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-4123122678 |
0.71 |
CC(OC(/C=C1\CCC2(OCCO2)CC\1)=O)(C)C |
|
| MCULE-1882447244 |
0.71 |
C1CC2(C)C3CC4(OC)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(C)C1OC(=O)C |
|
| MCULE-6545193345 |
0.71 |
C12(C)CC(O)C3(C([H])(CCC4(O)CC(CCC34CO)OC3OC(C)C(C(O)C3O)O)C1(O)CCC2C1COC(=O)C=1)[H] |
|
| MCULE-7501478721 |
0.71 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C=O)=CC2)C1)C |
|
| MCULE-9785253024 |
0.71 |
C1CC2(C)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2CC1OC1C(O)C(O)C(O)C(C)O1 |
|
| MCULE-9801536119 |
0.71 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1 |
|
| MCULE-5467493333 |
0.71 |
C1C[C@@]2(C)[C@@](C[C@H](O)C3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O |
|
| MCULE-5330620220 |
0.71 |
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1CC2[C@@](CC1)(C)C1[C@@]([H])(CC2)[C@@]2(O)CC[C@@H]([C@@]2(C)CC1)C1=CC(=O)OC1 |
|
| MolPort-019-937-129 |
0.71 |
COc1ccc2cc(c(=O)oc2c1O)C(C)(C)C=C |
|
| MolPort-019-937-129 |
0.71 |
COc1ccc2cc(c(=O)oc2c1O)C(C)(C)C=C |
|
| MCULE-4827912965 |
0.71 |
CC/C(=C/C(=O)O[C@H]1C(=C)[C@@]2(CC(=O)/C(=C\C)/[C@@]2([H])[C@H](C(C)C)C1)[H])/C |
|
| MCULE-8183183842 |
0.71 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(CO)CCC(C2)OC1CC(OC)C(C(C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-2886221861 |
0.71 |
C12(C)C[C@@H](O)[C@]3([C@@]([H])(CCC4(O)CC(CCC34CO)OC3OC(C)C(C(O)C3O)O)C1(O)CCC2C1COC(=O)C=1)[H] |
|
| MCULE-8352851448 |
0.71 |
[C@]12(O)CC[C@@H](C1(C)CCC1C2CC[C@]2(C1(C=O)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1 |
|
| MCULE-3399909670 |
0.71 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2[C@]1(CO)CC[C@@H](C2)OC1OC(C)C(C(O)C1O)O)C1COC(=O)C=1 |
|
| MCULE-1395015044 |
0.71 |
CC(CC1COCC1)=C(C(O)=O)C |
|
| MCULE-1384052626 |
0.71 |
C1C[C@@]2(C3CC[C@@]4([C@H](CC[C@@]4(C3CCC2C[C@H]1OC1CC(OC)C(O)C(C)O1)O)C1COC(=O)C=1)C)C |
|
| MCULE-5037554579 |
0.71 |
C1C(O)[C@]2(C)C3CC[C@]4(C)[C@@H](C5COC(=O)C=5)CCC4(O)C3CCC2(O)CC1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
|
| MCULE-6322752441 |
0.71 |
C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)CC(O)C2=CCOC2=O)C1)[H] |
|
| MCULE-9832397249 |
0.71 |
C1C(OC(C)=O)C2(C(CC3C(O)(C2)OC(=O)C=3C)C(=C)C1)C |
|
| MCULE-3852377544 |
0.71 |
[C@]12(CO)C(O)CC(CC1(O)CCC1C2[C@H](O)C[C@]2(C1(O)CCC2C1COC(=O)C=1)C)OC1OC(C)C(C(O)C1O)O |
|
| MCULE-9546308305 |
0.71 |
[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](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1 |
|
| MCULE-3998827933 |
0.70 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C |
|
| MCULE-4660404446 |
0.70 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(C)CC)C4=CC(=O)OC4)[C@@]3([H])C1)CO2 |
|
| MCULE-9312535912 |
0.70 |
C1[C@@H](O)[C@@]2(C3CC[C@@]4([C@H](CC[C@]4(O)[C@@]3(CC[C@]2([H])C[C@H]1O[C@@H]1[C@@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1)[H])C1COC(=O)C=1)C)C |
|
| MCULE-3724610609 |
0.70 |
CC1OCC(=CC(OC(C)(C)C)=O)CC1 |
|
| MCULE-3653619374 |
0.70 |
C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O |
|
| MCULE-6117415227 |
0.70 |
C1CC2(C)C3C(O)CC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2CC1OC1C(O)C(OC)C(O)C(C)O1.C12(C)CCC(O)CC1CCC1C3(O)CCC(C4=CC(=O)OC4)C3(C)CC(O)C21[H] |
|
| MCULE-5587277376 |
0.70 |
CCOC(C(C)=C1CC2CC(CC2)C1)=O |
|
| MCULE-1580462179 |
0.70 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C(C)CC)=O)CO2 |
|
| MCULE-9932124570 |
0.70 |
C1CC2(C)C3C(O)CC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2CC1OC1C(O)C(OC)C(O)C(C)O1 |
|
| MCULE-2276317128 |
0.70 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C |
|
| MCULE-4432547550 |
0.70 |
C(C)(OCCC(C)CCC=C(C)C=O)=O |
|
| MCULE-9361641754 |
0.70 |
[C@]12(O)CC[C@@H](C1(C)CCC1C2CC[C@]2(C1(C=O)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1.[Br-] |
|
| MCULE-8148008657 |
0.70 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C)=CC2=O)C1)C |
|
| MCULE-7460548556 |
0.70 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CC)CCC4C3CCC2(C1)[H] |
|
| MCULE-7772391429 |
0.70 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1 |
|
| MCULE-7862558672 |
0.70 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@H](C)O1 |
|
| MCULE-2949040331 |
0.70 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@@]2([H])C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1 |
|
| MCULE-7938459636 |
0.70 |
C1C[C@@]2(C3CC[C@@]4([C@@H](CC[C@]4(O)C3CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@H](C)O1)C1=CC(=O)OC1)C)C |
|
| MCULE-7170821286 |
0.70 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1 |
|
| MCULE-4153038232 |
0.70 |
[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](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1.[Br-] |
|
| MCULE-1230724012 |
0.70 |
O1C(=O)C(=C(CCC(O)=O)C1=O)C |
|
| MCULE-9520043751 |
0.70 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1 |
|
| MCULE-6837106469 |
0.70 |
C1CC2(C)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2CC1OC1C(O)C(OC)C(O)C(C)O1 |
|
| MCULE-2337967762 |
0.70 |
[C@]12(C)CCC3C(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(C)OC(C)=O |
|
| MCULE-1022445986 |
0.70 |
C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C |
|
| MCULE-9039426592 |
0.70 |
CCOC(C(C)=C1COC(C)CC1)=O |
|
| MolPort-002-893-122 |
0.70 |
Cc1cc(=O)oc2c(CC=C)c(O)ccc12 |
|
| MolPort-023-298-876 |
0.70 |
CC(C)=CCc1cc2ccc(O)cc2oc1=O |
|
| MolPort-023-298-876 |
0.70 |
CC(C)=CCc1cc2ccc(O)cc2oc1=O |
|
| MolPort-035-706-470 |
0.70 |
COc1cc(O)c2c(oc3cc(O)c(O)c(CC=C(C)C)c3c2=O)c1C(C)(C)C=C |
|
| MolPort-035-706-470 |
0.70 |
COc1cc(O)c2c(oc3cc(O)c(O)c(CC=C(C)C)c3c2=O)c1C(C)(C)C=C |
|
| MCULE-3893076732 |
0.69 |
COC(C=C1COC(C)CC1)=O |
|
| MCULE-9385269697 |
0.69 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(CC1C3(C(CC(CC3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)O)CCC12)C)O |
|
| MCULE-9206348209 |
0.69 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)O)C1COC(=O)C=1 |
|
| MCULE-1374093397 |
0.69 |
C1=CC2CC1C1C(COC(=O)C)=CC12 |
|
| MCULE-8291336831 |
0.69 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)[H])C1COC(=O)C=1 |
|
| MCULE-8457539977 |
0.69 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O |
|
| MCULE-6193501882 |
0.69 |
O=C1C=C([C@H]2CC[C@@]3(O)[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](O[C@@H]8O[C@H](C)[C@@H](OC)[C@@H](O)C8)[C@@H](O)C7)[C@@H](O)C6)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)CO1 |
|
| MCULE-2935787590 |
0.69 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H] |
|
| MCULE-7772727437 |
0.69 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H] |
|
| MCULE-7557744061 |
0.69 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C |
|
| MCULE-3716742475 |
0.69 |
[C@@H]1(C[C@@]2(C3CC[C@@]4([C@H](CC[C@]4(C3=CC([C@]2([H])C[C@H]1O)=O)O)[C@@]([C@H](O)C[C@@H]1[C@@H](C)OC(=O)[C@H]1C)(C)O)C)C)O |
|
| MCULE-7151123890 |
0.69 |
C1(COC(C)=O)=C(C)CCC1C(C)=C |
|
| MCULE-1819290201 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O |
|
| MCULE-9966949324 |
0.69 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C |
|
| MCULE-9219128563 |
0.69 |
C1CC(OC2OC(C)C(OC3CC(O)C(OC4CC(O)C(O)C(C)O4)C(C)O3)C(O)C2)CC2CCCC3(CC4(O)CCC(C5COC(=O)C=5)C4(C)CC3)C12C |
|
| MCULE-4505044370 |
0.69 |
[Na+].C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O |
|
| MCULE-8462494806 |
0.69 |
C12(O)CC[C@@H](C3COC(=O)C=3)C1(C)C(CC1C3(C(CC(CC3)O[C@H]3C[C@H](O)C([C@@H](C)O3)OC3C[C@H](O)C([C@@H](C)O3)OC3C[C@H](O)[C@@H]([C@@H](C)O3)O)CCC12)C)O |
|
| MCULE-8165628529 |
0.69 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](C[C@]1([H])[C@@]3([C@@]([H])(C[C@H](CC3)O[C@H]3C[C@H](O)[C@@H]([C@@H](C)O3)O[C@H]3C[C@H](O)[C@@H]([C@@H](C)O3)O[C@H]3C[C@H](O)[C@@H]([C@@H](C)O3)O)CC[C@]12[H])C)O |
|
| MCULE-7035816167 |
0.69 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
|
| MCULE-3543018898 |
0.69 |
CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C |
|
| MCULE-4953690428 |
0.69 |
C12(O)CC[C@@H](C3COC(=O)C=3)[C@@]1(C)C(CC1[C@@]3(C(CC(CC3)O[C@H]3C[C@H](O)C([C@@H](C)O3)OC3C[C@H](O)C([C@@H](C)O3)OC3C[C@H](O)[C@@H]([C@@H](C)O3)OC)CCC12)C)O |
|
| MCULE-9439877737 |
0.69 |
O1[C@H](C)[C@@H](C[C@@H](O)[C@](O)([C@@H]2[C@@]3(C)CC[C@]4([H])[C@]5(C)[C@]([H])(C(=O)C=C4[C@]3(O)CC2)C[C@@H](O)[C@@H](O)C5)C)[C@H](C)C1=O |
|
| MCULE-8753646114 |
0.69 |
[C@@]12(O)CC[C@H]([C@](O)(C)[C@H](O)C[C@H]3[C@H](C)C(=O)O[C@@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O |
|
| MolPort-035-706-469 |
0.69 |
CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C |
|
| MolPort-035-706-469 |
0.69 |
CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C |
|
| MCULE-5634254932 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]54O[C@@]35CC[C@]2([H])C[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O)[C@@H](C)O1 |
|
| MCULE-9891857644 |
0.68 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3 |
|
| MCULE-2585190354 |
0.68 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC2=C(COC(C)=O)C#N)[H] |
|
| MCULE-5454204287 |
0.68 |
C1C[C@@]2(C)[C@@]([C@H](O)CC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O |
|
| MCULE-2244059404 |
0.68 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C=NC(C)(C)CO |
|
| MCULE-4026127058 |
0.68 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H] |
|
| MCULE-7567944474 |
0.68 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O |
|
| MCULE-8003853994 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCC=C)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-2858651865 |
0.68 |
O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O |
|
| MCULE-4073913947 |
0.68 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H] |
|
| MCULE-9937073279 |
0.68 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2([C@]1(CO)CCC(C2)OC1CC(O)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-6426429596 |
0.68 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2 |
|
| MCULE-3581898493 |
0.68 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2 |
|
| MCULE-8386161785 |
0.68 |
CCOC(C=CC1CCOCC1)=O |
|
| MCULE-4145707178 |
0.68 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)([H])OC(C)=O |
|
| MCULE-3797371394 |
0.68 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(O)C2=C1)C(COC(C)=O)=O |
|
| MCULE-6605023747 |
0.68 |
C(C)(C(=O)OCC)=C(C)CCCCCC |
|
| MCULE-2255903955 |
0.68 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O |
|
| MCULE-7117172040 |
0.68 |
C1CCCCCCCCC(C(OC)=O)=C1 |
|
| MCULE-3397065732 |
0.68 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O |
|
| MCULE-6534243824 |
0.68 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12 |
|
| MCULE-5752112400 |
0.68 |
COC(C=CC1OCCCC1)=O |
|
| MCULE-3601346864 |
0.68 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@H]7[C@H](O)[C@H]([C@H](O)[C@@H](CO)O7)O)[C@@H](O)C6)C)[C@@H](O)C5)C)[C@@H](O)C4)C)C[C@@]3([H])CC[C@@]21[H] |
|
| MCULE-8774906136 |
0.68 |
C(C)(=CCCCCCC)C(=O)OCC |
|
| MCULE-5702185362 |
0.68 |
[C@]123O[C@@]1([H])[C@@]1([H])[C@@](O1)(C(C)C)[C@@H](O)[C@]12O[C@@]1([H])C[C@@]1([H])C2COC(=O)C=2CC[C@]31C |
|
| MCULE-9255709760 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCCO)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-6576560001 |
0.68 |
[C@H]1(C[C@@H](OC(=O)/C=C(/CC)\C)C(=C)[C@]2([H])CC(=O)[C@@]([H])([C@@]12[H])[C@H](OC(C)=O)C)C(C)C |
|
| MCULE-3556341827 |
0.68 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C |
|
| MCULE-6087891764 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCC#N)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5042813534 |
0.68 |
C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2 |
|
| MCULE-2646350158 |
0.68 |
C12(O)CC[C@@H](C3COC(=O)C=3)[C@@]1(C)[C@H](CC1[C@@]3(C(CC(CC3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3OC(CO)C(C(O)C3O)O)CCC12)C)O |
|
| MCULE-3449642272 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O |
|
| MCULE-4974199679 |
0.68 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C |
|
| MCULE-8836163795 |
0.68 |
C12CC3CC4CC5C(=O)OC(=O)C=5CC=4CC=3CC=1C(OC2=O)=O |
|
| MCULE-8623746430 |
0.68 |
C12(O)CC[C@H](C1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=NCC#N)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-7219690581 |
0.68 |
[C@@]12(CCC(CC1(O)CCC1([H])[C@]2([H])CC[C@]2(C1(O)CCC2C1COC(=O)C=1)C)O)C=NC(C)CC |
|
| MCULE-8218822760 |
0.68 |
C12CC(C3CC=CC13)CC2OC(C)=O |
|
| MCULE-7515529172 |
0.68 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C |
|
| MCULE-4475453608 |
0.68 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(CO)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@@H]([C@@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)[H])C1COC(=O)C=1 |
|
| MCULE-1549825279 |
0.68 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=NCCO)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3621676306 |
0.68 |
CCOC(C(C)=C1C2(CCCC2)CC1)=O |
|
| MCULE-8352449235 |
0.68 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C)CCC(C2)OC1OC(C)C(C(O)C1O)OC1OC(CO)C(C(O)C1O)O)[H])C1COC(=O)C=1 |
|
| MCULE-5787926051 |
0.68 |
C1CC2COC(C=2C(C1C(C)C)/C=C(\CO)/C(=O)O)=O |
|
| MCULE-8185023075 |
0.68 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2CCC2[C@]1(C)CCC(C2)=NNC(N)=O)C1COC(=O)C=1 |
|
| MCULE-6655985405 |
0.68 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(CC1([H])C3(C([H])(CC(CC3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3OC(CO)C(C(O)C3O)O)CCC12[H])C)O |
|
| MCULE-1052077478 |
0.68 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2[C@]1(C)CCC(C2)OC1OC(C)C(C(O)C1O)OC1OC(CO)C(C(O)C1O)O)C1COC(=O)C=1 |
|
| MCULE-2593667564 |
0.68 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO |
|
| MCULE-5291547123 |
0.68 |
[C@@]12([H])CC(=O)[C@H]([C@@H](OC(C)=O)C)[C@@]1([H])[C@H](C(C)C)C[C@@H](OC(=O)/C=C(\C)/CC)C2=C |
|
| MCULE-7704363210 |
0.68 |
CCOC(/C(/C)=C1\CCC2(CC2)CC\1)=O |
|
| MCULE-8826671235 |
0.68 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C=NC(C)(CO)CO |
|
| MCULE-3223183548 |
0.68 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C |
|
| MCULE-5304194793 |
0.68 |
CCC(C)=CC(OC1C(=C)C2CC(C(C(OC(C)=O)C)C2C(C(C)C)C1)=O)=O |
|
| MCULE-7098067199 |
0.68 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2[C@]1(CO)CCC(C2)OC1OC(C)C(C(O)C1O)OC1OC(CO)C(C(O)C1O)O)C1COC(=O)C=1 |
|
| MCULE-1240833073 |
0.67 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C)C(O)CC(OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(OC(C)=O)C(C(C)O1)O)C2)[H])C1COC(=O)C=1 |
|
| MCULE-1740284201 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O[C@H]1C[C@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](C)O1 |
|
| MCULE-8789756191 |
0.67 |
C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O |
|
| MCULE-5558502153 |
0.67 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1 |
|
| MCULE-9883764892 |
0.67 |
C1(=CCCC1)C(=O)OCC |
|
| MCULE-2907416404 |
0.67 |
O=C1C=C([C@H]2[C@]3(C)[C@@]([C@H]4[C@@H](CC3)[C@@]3(C)[C@@H](C[C@H](CC3)O[C@H]3O[C@H](C)[C@@H](O[C@H]5O[C@H](C)[C@@H](O)[C@@H](O)C5)[C@@H](O[C@H]5O[C@H](C)[C@@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5)C3)CC4)(O)CC2)CO1 |
|
| MCULE-9024401259 |
0.67 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C=CC |
|
| MCULE-1470831787 |
0.67 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C |
|
| MCULE-9035965650 |
0.67 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1 |
|
| MCULE-2386800783 |
0.67 |
O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O |
|
| MCULE-3878291254 |
0.67 |
CC(OC(C=C1C2CC(CC2)C1)=O)(C)C |
|
| MCULE-2284846333 |
0.67 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H]([C@@]4([H])CC=C(C)C(=O)O4)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C |
|
| MCULE-8661398095 |
0.67 |
CCOC(C(C)=C1C(C)CCCCC1)=O |
|
| MCULE-8258665383 |
0.67 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1=C)OC(=O)C |
|
| MCULE-5470759504 |
0.67 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1 |
|
| MCULE-2778816204 |
0.67 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(C)[C@@](C#C)(OC(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=C[C@H]1OC(=O)C |
|
| MCULE-9650544498 |
0.67 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C |
|
| MolPort-009-753-662 |
0.67 |
COc1ccc2ccc(=O)oc2c1C(C)=O |
|
| MCULE-3173207342 |
0.67 |
C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C |
|
| MolPort-002-088-411 |
0.67 |
CCc1cc2c(C)cc(=O)oc2c(CC=C)c1O |
|
| MCULE-4795427452 |
0.67 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C |
|
| MolPort-039-339-022 |
0.67 |
COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12 |
|
| MCULE-7131147961 |
0.67 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](C[C@]1([H])[C@@]3([C@@]([H])(C[C@H](CC3)O[C@H]3C[C@H](O)[C@@H]([C@@H](C)O3)O[C@H]3C[C@H](O)[C@@H]([C@@H](C)O3)O[C@H]3C[C@H](OC(C)=O)[C@@H]([C@@H](C)O3)O)CC[C@]12[H])C)O |
|
| MolPort-044-727-259 |
0.67 |
COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC |
|
| MCULE-3383703484 |
0.67 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1CC(O)C(C(C)O1)O)O)C1COC(=O)C=1 |
|
| MolPort-039-339-022 |
0.67 |
COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12 |
|
| MCULE-3758685184 |
0.67 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O |
|
| MolPort-044-727-259 |
0.67 |
COc1cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c(CC=C(C)C)c1OC |
|
| MCULE-4012121864 |
0.67 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C |
|
| MolPort-006-668-465 |
0.67 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\Cc1c(O)c2ccccc2oc1=O |
|
| MCULE-8639038057 |
0.67 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3([H])CC[C@H](OC(=O)C)C=4)([H])[C@]1([H])CC[C@@]2(OC(=O)C)C#C |
|
| MCULE-9468362144 |
0.67 |
O=C1C=CC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O |
|
| MCULE-5593960668 |
0.67 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O |
|
| MCULE-6252993618 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](C)O1 |
|
| MCULE-9341077726 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](C)O1 |
|
| MCULE-6477809398 |
0.67 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2 |
|
| MCULE-3404020087 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@H](C)O1 |
|
| MCULE-9988520649 |
0.67 |
C1(C)CCC=CC(OC)C=CC(O)(C)C=CC(=O)OC1C |
|
| MCULE-1052258564 |
0.67 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C |
|
| MCULE-3842551274 |
0.67 |
C12(OC)OC(=O)C(C)=C1CC1C(=C)C(O)CCC1(C)C2 |
|
| MCULE-3989562438 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C=C)(CCC4C3CCC2(C1)[H])OC(C)=O |
|
| MCULE-6487078929 |
0.67 |
C1CC2(C)CCC(OC(=O)C)C(=C)C2CC1C(O)(C)C |
|
| MCULE-4936373898 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)[C@H](C)O1 |
|
| MCULE-4665107833 |
0.67 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1(O)C3CCC(C(C)CCC(C)C(C)C)C3(C)CC=C21 |
|
| MCULE-1627051269 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]54O[C@@]35CC[C@]2([H])C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1 |
|
| MCULE-8133468470 |
0.67 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1 |
|
| MCULE-2377407418 |
0.67 |
[C@]12([H])CC3=C(C)C(=O)O[C@@]3(OC)C[C@@](O)(C)[C@@]1([H])CC[C@@]2(O)C |
|
| MCULE-7768798034 |
0.67 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21 |
|
| MCULE-7096460548 |
0.67 |
C1C[C@@]2([H])C(=CC1=O)CC[C@]1([C@@]3([H])[C@@](CC[C@]21[H])(C)[C@@](OC(=O)C)(C(=O)C)C(=C)C3)[H] |
|
| MCULE-1725248391 |
0.67 |
O=C1C=C([C@@H]2[C@]3(C)[C@]([C@]4([C@@](CC3)([H])[C@]3(C)[C@](C[C@H](CC3)O[C@@H]3O[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](OC)C3)(O)CC4)[H])(O)CC2)CO1 |
|
| MCULE-4172470592 |
0.67 |
C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H] |
|
| MCULE-1363593102 |
0.67 |
C(C)(=O)OC1CCC2(C)C3(C1)C(C=C1C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC12[H])O3 |
|
| MCULE-1467978278 |
0.67 |
C[C@@H]1[C@@H](O)[C@@H](OC(=O)C)C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4C[C@H]5CC[C@H]6[C@]7(O)[C@@](C)([C@H](CC7)C7COC(=O)C=7)CC[C@@H]6[C@@]5(C)CC4)C[C@@H]3O)C[C@@H]2O)O1 |
|
| MCULE-5465935467 |
0.67 |
C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2 |
|
| MCULE-1960514602 |
0.67 |
C1(OC)C(C)=CCCC(C)C(OC(=O)C=CC(O)(C)C=C1)C |
|
| MCULE-1434186647 |
0.67 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C |
|
| MCULE-6913740702 |
0.67 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O |
|
| MCULE-4498603332 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H] |
|
| MCULE-3344154059 |
0.67 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H] |
|
| MCULE-2319925369 |
0.67 |
C(C)(=O)OC1CCC2(COS(C)(=O)=O)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1 |
|
| MCULE-2355974075 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCO)CCC4C3CC=C2C1 |
|
| MCULE-2766763037 |
0.67 |
C1(C)OC(C(C(C1O)OC)O)OC1C(CO)O[C@@H](O[C@H]2C[C@@H](O)[C@]3(C)C4CC[C@]5(C)[C@@H](C6COC(=O)C=6)CC[C@]5(O)C4CCC3C2)C(O)C1O |
|
| MCULE-2716845869 |
0.67 |
C1(C)[C@H](C=C[C@](C=CC(O[C@@H]([C@H](CCC=1)C)C)=O)(O)C)OC |
|
| MCULE-2341360604 |
0.67 |
C12(O)CC[C@@H](C3COC(=O)C=3)[C@@]1(C)C(CC1[C@@]3(C(CC(CC3)O[C@H]3C[C@H](O)C([C@@H](C)O3)OC3C[C@H](O)C([C@@H](C)O3)OC3C[C@H](OC(C)=O)[C@@H]([C@@H](C)O3)O)CCC12)C)O |
|
| MCULE-2719986421 |
0.67 |
C1C[C@]2([C@@]([H])(C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)[C@H](C)O1)CCC1[C@@]3(O)CC[C@@H](C4=CC(=O)OC4)[C@]3(CCC21)C)C |
|
| MCULE-8493622164 |
0.67 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C=CC |
|
| MCULE-8124558417 |
0.67 |
C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C |
|
| MCULE-9373742271 |
0.67 |
O(CC(=CCCC(CO)=CCCC(C)=CCO)CC/C=C(\C)/C)C(=O)C |
|
| MCULE-2488392484 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H] |
|
| MCULE-7494362920 |
0.67 |
[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](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-6250153221 |
0.67 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C)CCC(C2)OC1CC(OC)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-8539726206 |
0.67 |
[C@]12(O)CC([C@@H](C1(C)CCC1C2CC[C@]2(C1(C)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)[H])C1COC(=O)C=1)OC(=O)C[N+](C)(C)C |
|
| MCULE-3754202975 |
0.67 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C |
|
| MCULE-4520759908 |
0.67 |
[C@]12(O)CC([C@@H](C1(C)CCC1C2CC[C@]2(C1(C)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)[H])C1COC(=O)C=1)OC(=O)C[N+](C)(C)C.[Br-].[Br-] |
|
| MCULE-9098361678 |
0.67 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@@H]([C@H](OC)[C@H]1O)O)C1COC(=O)C=1)O |
|
| MCULE-9760230651 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O |
|
| MCULE-3300544479 |
0.67 |
C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C |
|
| MCULE-3320650867 |
0.67 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O |
|
| MCULE-9145801664 |
0.67 |
C123CCC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C1CCC(C(=C)[C@H]2OC(=O)/C(/C)=C\C)C3 |
|
| MCULE-2675742494 |
0.67 |
C12(O)CC(C([C@@]1(C)CCC1C2CCC2[C@]1(C)CCC(C2)O[C@@H]1O[C@H](C)[C@@H]([C@H](OC)[C@H]1O)O)C1COC(=O)C=1)O |
|
| MCULE-6682810142 |
0.67 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@@]2([C@]1(C=O)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@@H](O)[C@H]1O)O)[H])C1COC(=O)C=1 |
|
| MCULE-7025819167 |
0.67 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C |
|
| MCULE-2566917767 |
0.67 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2 |
|
| MCULE-4343790137 |
0.67 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C)C1CCC2C(C)CCCC(C)C |
|
| MCULE-1036680419 |
0.67 |
O1C(=O)C=C(C2CCC3(C4C([C@@]5(C(CC4)C[C@@H](OC4OC(C)C(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)C(OC)C4)CC5)C)CC[C@]23C)O)C1 |
|
| MCULE-6145534296 |
0.67 |
C12(C)CCCC(C)(C)C1CCC(C)(OC(C)=O)C2CCC(C)(C=C)OC(C)=O |
|
| MCULE-5223496751 |
0.67 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1 |
|
| MCULE-6716714175 |
0.67 |
C1CC(C)=CCC1C(C)(C)OC(=O)C |
|
| MCULE-2041000423 |
0.67 |
[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1(C)C[C@@H](/C/3=C(/CC/C=C(/C)\C)\C(O)=O)OC(C)=O)[C@@]1(C)C=CC([C@@H](C)[C@@]1([C@H](OC(C)=O)C2=O)[H])=O |
|
| MCULE-4799205613 |
0.67 |
C1[C@H]([C@]2([C@@](C[C@H]1O[C@@H]1[C@@H](O)[C@@H](OC)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](C)O1)(CC[C@@]1(C2CC[C@@]2([C@@H](C3=CC(=O)OC3)CC[C@]12O)C)[H])[H])C)O |
|
| MCULE-8588547938 |
0.67 |
O([C@H]1[C@]2(C)C3CC[C@]4(C)[C@@H](C5COC(=O)C=5)CC[C@]4(O)C3CCC2C[C@H](C1)O[C@H]1C(O)C(O)C(OC2OC(C)C(C(OC)C2O)O)C(CO)O1)C(=O)C |
|
| MCULE-1850569909 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O |
|
| MCULE-2808584285 |
0.67 |
[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](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-9439093573 |
0.67 |
[C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C |
|
| MCULE-9395100930 |
0.67 |
[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](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-5241313012 |
0.67 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O |
|
| MCULE-1537420527 |
0.67 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O |
|
| MCULE-8793330136 |
0.67 |
C12(O)CCC(C1(C)CC[C@@]1([H])[C@@]2([H])CCC2(C1(C)C(O)CC(OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(OC(C)=O)C(C(C)O1)O)C2)[H])C1COC(=O)C=1 |
|
| MCULE-2061017881 |
0.66 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C(C)(C)C)=O |
|
| MCULE-8392201259 |
0.66 |
C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H] |
|
| MCULE-1661513561 |
0.66 |
CC1CC(=CC(OC(C)(C)C)=O)CCC1 |
|
| MCULE-7212452003 |
0.66 |
C1C(C)C2=C(C(OCC)=O)C(=O)CC2([H])C1 |
|
| MCULE-9660798204 |
0.66 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC |
|
| MCULE-5121010239 |
0.66 |
C1(CC2CCC(O2)C1)=CC(OC)=O |
|
| MCULE-8407720746 |
0.66 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O |
|
| MCULE-3608441851 |
0.66 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H] |
|
| MCULE-3648597514 |
0.66 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C)=O |
|
| MCULE-7064805050 |
0.66 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCC)=O |
|
| MCULE-2460567264 |
0.66 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCCC)=O |
|
| MCULE-6500424227 |
0.66 |
CCOC(/C=C/[C@@H]1CC[C@@H](C)CC1)=O |
|
| MCULE-2707972044 |
0.66 |
C12(O)CC(C(C3COC(=O)C=3)C1(C)CCC1C2CCC2C1(C)CCC(C2)OC(=O)C[N+](C)(C)C)C(=O)C[N+](C)(C)C |
|
| MCULE-2384003351 |
0.66 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O |
|
| MCULE-1753087854 |
0.66 |
C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21 |
|
| MCULE-1816798318 |
0.66 |
C12(C)CCC(C(C)(COC(C)=O)C1CCC(=C)C2CC(OC(C)=O)C1=CCOC1=O)OC(C)=O |
|
| MCULE-8613188927 |
0.66 |
CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O |
|
| MCULE-8327028919 |
0.66 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2CCC2[C@]1(C)CCC(C2)=NNC(N)=S)C1COC(=O)C=1 |
|
| MCULE-1836906318 |
0.66 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O |
|
| MCULE-5162561663 |
0.66 |
C12=CC(=O)[C@]3([C@](C)(CC([C@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](OC(C)=O)CC1C(C)OC(=O)C1C)[H] |
|
| MCULE-9705119087 |
0.66 |
[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2 |
|
| MCULE-3903546287 |
0.66 |
CC1C(=CC(OC(C)(C)C)=O)CCCC1 |
|
| MCULE-7016066089 |
0.66 |
C12C3C4C5C1C(C(OC)=O)=C(C(OC)=O)C5C2C4CC3 |
|
| MCULE-1044387998 |
0.66 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1 |
|
| MCULE-6697936504 |
0.66 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O |
|
| MCULE-1116373843 |
0.66 |
CCOC(C=C[C@@]1(CC[C@@](C)(CC1)[H])[H])=O |
|
| MCULE-5015030206 |
0.66 |
CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O |
|
| MCULE-3873973273 |
0.66 |
CC1OCC(=C(C(O)=O)C)CC1 |
|
| MCULE-5874149529 |
0.66 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC |
|
| MCULE-7666040130 |
0.66 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O |
|
| MCULE-2724365529 |
0.66 |
[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-4882022453 |
0.66 |
COC1CC(OC(C2CCCC=2)=O)CC(OC)C1 |
|
| MCULE-9983704891 |
0.66 |
CC1OCC(=CC(O)=O)CC1 |
|
| MCULE-9000317976 |
0.66 |
O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1 |
|
| MCULE-8627319345 |
0.66 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O |
|
| MCULE-4772039176 |
0.66 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1 |
|
| MCULE-1096814124 |
0.66 |
C12(O)CC(C([C@@]1(C)CCC1C2CCC2([C@]1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)O)[H])C1COC(=O)C=1)O |
|
| MCULE-1288235993 |
0.66 |
[C@]12(C=O)CC[C@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C)C[C@@]1(O)CC[C@@]1([H])[C@@]3(O)CC[C@H](C4COC(=O)C=4)[C@@]3(C)CC[C@]21[H] |
|
| MolPort-002-832-063 |
0.66 |
COc1ccc(\C=C/C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1OC |
|
| MolPort-002-832-079 |
0.66 |
COc1cc(\C=C\C(=O)c2c(O)ccc3c(C)cc(=O)oc23)ccc1O |
|
| MolPort-039-338-456 |
0.66 |
COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C |
|
| MolPort-001-742-280 |
0.66 |
CC(C)=CCc1cc2ccc(=O)oc2cc1O |
|
| MolPort-005-945-890 |
0.66 |
CC(C)=CCc1c2OC(Cc2cc2ccc(=O)oc12)C(C)(C)O |
|
| MolPort-039-338-456 |
0.66 |
COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-5232883091 |
0.66 |
C12(O)CC[C@@H]([C@@]1(C)CC[C@]1([H])[C@@]2([H])CCC2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-5173677772 |
0.66 |
[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H] |
|
| MCULE-9256252602 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCCCO)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-7382046053 |
0.66 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O |
|
| MCULE-1602734224 |
0.66 |
O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O |
|
| MCULE-5822421820 |
0.66 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O |
|
| MCULE-4909263569 |
0.66 |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H] |
|
| MCULE-4529602980 |
0.66 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2 |
|
| MCULE-3213917419 |
0.66 |
C(C)(=O)OC1CCC2(C)C(C1)(CC1C3(C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC23)O1)[H] |
|
| MCULE-9600703174 |
0.66 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H] |
|
| MCULE-5177446419 |
0.66 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21)[H] |
|
| MCULE-3941924250 |
0.66 |
C1(C(OCC)=O)CC1C=CC(O)=O |
|
| MCULE-9323409980 |
0.66 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O |
|
| MCULE-3651095129 |
0.66 |
[C@@]12(CCC(CC1(O)CCC1([H])[C@]2([H])CC[C@]2(C1(O)CC[C@H]2C1COC(=O)C=1)C)OC1CC(O)C(C(C)O1)O)C#N |
|
| MCULE-5139074320 |
0.66 |
[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](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-1292912968 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O |
|
| MCULE-9509535864 |
0.66 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O |
|
| MCULE-3941648652 |
0.66 |
C1(C(O)=O)=C(C)C(OC21CCCCC2)=O |
|
| MCULE-7045925975 |
0.66 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O |
|
| MCULE-2798425702 |
0.66 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C=O)CCC(C2)OC1([H])CC([H])(OC)C(C([H])(C)O1)([H])O)O)C1COC(=O)C=1 |
|
| MCULE-3153400458 |
0.66 |
C1CC(C(=O)OC)=CCC1 |
|
| MCULE-8267556474 |
0.66 |
C12C3C(C)(CCC(C)(C3)C(=O)OC3CCCCC3C)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C |
|
| MCULE-1974362635 |
0.66 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-5488659453 |
0.66 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O |
|
| MCULE-3384354845 |
0.66 |
C12(O)CC(C(C1(C)CCC1([H])C2([H])CCC2(C1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)O)[H])C1COC(=O)C=1)O |
|
| MCULE-5497851720 |
0.66 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CC=C(C(=O)OC2CC(C)CCC2C(C)C)CC=1 |
|
| MCULE-4832560741 |
0.66 |
C(C)=CCCCCCCCCOC(=O)C |
|
| MCULE-5687333040 |
0.66 |
C(=CC1CCCCC1)C(OCC)=O |
|
| MCULE-9934814469 |
0.66 |
[C@@]12(CCC(CC1(O)CCC1([H])[C@]2([H])CC[C@]2(C1(O)CC[C@H]2C1COC(=O)C=1)C)OC1CC(OC)C(C(C)O1)O)C#N |
|
| MCULE-3958244939 |
0.66 |
C12(O)CC(C(C1(C)CCC1C2CCC2(C1(C)CCC(C2)OC1CC(OC)C(C(C)O1)O)[H])C1COC(=O)C=1)CC(O)=O |
|
| MCULE-6530848078 |
0.66 |
C1C[C@@]2(C)C(CCC(=C)[C@@H]2CC/C(=C/C(OC)=O)/C)[C@](C(O)=O)(C)C1 |
|
| MCULE-7780934103 |
0.66 |
C1C[C@]2(C=O)C3CC[C@@]4([C@@H](CC[C@]4(O)C3CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@H](C)O1)C1=CC(=O)OC1)C |
|
| MCULE-5000124600 |
0.66 |
[C@@]1([H])([C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@]12[H])/C=C(\CO)/C(O)=O |
|
| MCULE-2222797068 |
0.66 |
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-5243784193 |
0.66 |
C(OCCCCCCCCCCCCCCCCCC)(=O)[C@@]1(C[C@@]2(C3=CC([C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)C(C)(C)[C@H](CC5)O)=O)[H])C |
|
| MCULE-7306805568 |
0.66 |
[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](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-6914138383 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(CCC(C)C)=O)C1CC=C2C(C)=O |
|
| MCULE-2930111579 |
0.66 |
[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](C2)O[C@@H]1O[C@H](C)[C@@H]([C@@H](O)[C@H]1O)O)O)C1COC(=O)C=1 |
|
| MCULE-5866611081 |
0.66 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O |
|
| MCULE-2306367523 |
0.66 |
C12CC(CC1OC(CC)=O)C1C=CCC21 |
|
| MCULE-5578038643 |
0.66 |
O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O |
|
| MCULE-1695863761 |
0.65 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C |
|
| MCULE-2662745028 |
0.65 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O |
|
| MCULE-3490079306 |
0.65 |
[C@]12(C)C[C@@H](O)[C@]3(C([H])(CCC4(O)CC(CC[C@]34C=O)OC3OC(C)C(C(O)C3O)O)C1(O)CC[C@H]2C1COC(=O)C=1)[H] |
|
| MCULE-3367603723 |
0.65 |
C12(C)CC(O)C3(C([H])(CCC4(O)CC(CCC34C=O)OC3OC(C)C(C(O)C3O)O)C1(O)CCC2C1COC(=O)C=1)[H] |
|
| MCULE-4551637584 |
0.65 |
C1CC2(C)C3C(OC)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1OC(=O)C |
|
| MCULE-3605854604 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C |
|
| MCULE-9530340790 |
0.65 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C |
|
| MCULE-6010231146 |
0.65 |
COC(C=CC1CC2C(C2)C1)=O |
|
| MCULE-6377062249 |
0.65 |
OC(C=CC(C1C2OC(CC2)C1)=O)=O |
|
| MCULE-2860009537 |
0.65 |
C[C@@H]1C(=O)OC[C@H](O)[C@H]1C[C@H]([C@@]([C@@H]1[C@]2(C)[C@@](C3[C@@](CC2)([H])[C@]2(C)[C@](C[C@H]([C@H](C2)O)O)([H])C(=O)C=3)(O)CC1)(O)C)O |
|
| MCULE-8917764627 |
0.65 |
CC1C(=O)OC(C(O)(C2C3(C)CCC4C5(C)CC(O)C(O)CC5C(=O)C=C4C3(O)CC2)C)CC1C(O)C |
|
| MCULE-7764991918 |
0.65 |
COC(C=C1CC2CC(CC2)C1)=O |
|
| MCULE-7768891885 |
0.65 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(OC(C)=O)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)[H])C1COC(=O)C=1 |
|
| MCULE-2562455528 |
0.65 |
C1(O)CC2C(C)(CCC3=CC(=O)OC3O)C(C)CCC32COC(=O)C3=C1 |
|
| MCULE-2008603251 |
0.65 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(CC1([H])C3(C([H])(CC(CC3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3CC(OC(C)=O)C(C(C)O3)OC3OC(CO)C(C(O)C3O)O)CCC12[H])C)O |
|
| MCULE-2616323149 |
0.65 |
O=C(CCCC/C=C1/C(CCCCCCCCCCCCC)OC/1=O)N |
|
| MCULE-7441378184 |
0.65 |
C1(CC[C@@]2([H])[C@]3([C@]([H])(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H])=C(C#N)C(OCC)=O |
|
| MCULE-8985437799 |
0.65 |
C1C[C@]2(C)C[C@]3(OC(C)=O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1 |
|
| MCULE-9435308417 |
0.65 |
C(C#N)(=CC1CCOC(C)(CC)C1)C(OCC)=O |
|
| MCULE-7272779592 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)=CC |
|
| MCULE-2130027368 |
0.65 |
C1(CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O |
|
| MCULE-3365689266 |
0.65 |
C1(CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O |
|
| MCULE-5925791453 |
0.65 |
[C@]12(C)C=CC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)=O |
|
| MCULE-5596781651 |
0.65 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](C[C@]1([H])[C@@]3([C@@]([H])(C[C@H](CC3)O[C@H]3C[C@@H]([C@H](O[C@H]4C[C@@H]([C@H](O[C@H]5C[C@@H]([C@H](OC(C)=O)[C@@H](C)O5)OC(C)=O)[C@@H](C)O4)OC(C)=O)[C@@H](C)O3)OC(C)=O)CC[C@]12[H])C)OC(C)=O |
|
| MCULE-8866906194 |
0.65 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@@]1([H])C[C@@H]([C@H](O[C@@]2([H])C[C@@H]([C@H](O)[C@@H](C)O2)O)[C@@H](C)O1)O[C@@]1([H])C[C@@H]([C@H](O)[C@@H](C)O1)O)[H])C1COC(=O)C=1)O |
|
| MCULE-9819091955 |
0.65 |
C12(CCC(CC1(O)CCC1([H])[C@]2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)O)C=NC(CC)CO |
|
| MCULE-5549887798 |
0.65 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C |
|
| MCULE-6440147345 |
0.65 |
O1C(C2=CCCCC2C1CCCC)=O |
|
| MCULE-2260474233 |
0.65 |
[C@]12(C)CC(OC(C)=O)C3C(CCC4(O)CC(CC[C@]34C)O[C@@H]3O[C@@H](C)[C@@H]([C@@H](OC(C)=O)[C@H]3OC(C)=O)OC(C)=O)C1(O)CCC2C1COC(=O)C=1 |
|
| MCULE-1379924493 |
0.65 |
C1(C2CCCCC2)=C(Cl)C(OC1=O)=O |
|
| MCULE-1884014689 |
0.65 |
O=C1OC[C@H](O)[C@@H](C[C@H]([C@](C)(O)[C@@H]2[C@]3(C)C(C4[C@@](CC3)([H])[C@]3(C)[C@](C[C@H]([C@H](C3)O)O)([H])C(=O)C=4)(O)CC2)O)[C@@H]1C |
|
| MCULE-6283847531 |
0.65 |
O[C@]12CC[C@H](C3=CC(=O)OC3)[C@]1([C@@H](C[C@]1([H])[C@]3(CC[C@H](O[C@]4([H])O[C@H](C)[C@@H](O[C@]5([H])O[C@H](C)[C@@H](O[C@]6([H])O[C@H](C)[C@@H](O[C@@]7([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O7)O)[C@@H](OC(=O)C)C6)[C@@H](O)C5)[C@@H](O)C4)C[C@@]3([H])CC[C@@]21[H])C)O)C |
|
| MCULE-9616913131 |
0.65 |
C12(O)CCC(C3COC(=O)C=3)[C@@]1(C)C(CC1[C@@]3(C([H])(CC(CC3)OC3CC(O)C(C(C)O3)OC3CC(O)C(C(C)O3)OC3CC(OC(C)=O)C(C(C)O3)OC3OC(CO)C(C(O)C3O)O)CCC12)C)O |
|
| MCULE-6799150619 |
0.65 |
C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O |
|
| MCULE-1065163743 |
0.65 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C |
|
| MCULE-4355199524 |
0.65 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2[C@]1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(OC(C)=O)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)C1COC(=O)C=1 |
|
| MCULE-8557334664 |
0.65 |
CC(OC(C=C1CCOCCC1)=O)(C)C |
|
| MCULE-9098558954 |
0.65 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@@H]5OC(=O)[C@@H](C)[C@@]([H])([C@H](O)C)C5)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O |
|
| MCULE-4844058467 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4C[C@@H](O)CC[C@]34C)C1=CC=C2C1COC(=O)C=1 |
|
| MCULE-2656082034 |
0.65 |
C12(O)CC(C(C3COC(=O)C=3)C1(C)CCC1C2CCC2C1(C)CCC(C2)OC(=O)C[N+](C)(C)C)C(=O)C[N+](C)(C)C.[Br-].[Br-] |
|
| MCULE-7505841337 |
0.65 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C |
|
| MCULE-8657027328 |
0.65 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]54O[C@@]35CC[C@]2([H])C[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)[C@@H](C)O1 |
|
| MCULE-5353396675 |
0.65 |
C1CC([C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@@]2([H])C1OC(/C(/C)=C/C)=O)(CCl)O |
|
| MCULE-9744281698 |
0.65 |
[C@@]12(O)CC[C@H]([C@](O)(C)C[C@@H](O)[C@@]3([H])[C@@H](C)OC(=O)[C@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O |
|
| MCULE-1699204347 |
0.65 |
C1(=O)C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1 |
|
| MCULE-5004121327 |
0.65 |
[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-3193343372 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC |
|
| MCULE-5939300673 |
0.65 |
[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-4446927847 |
0.65 |
[C@H]1(O)C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2 |
|
| MCULE-3752800864 |
0.65 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1 |
|
| MCULE-5110860846 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@]4([H])C[C@H](CC[C@]34C)OC(C)=O)C1=CC=C2C1COC(=O)C=1)[H] |
|
| MCULE-8611232708 |
0.65 |
C12C3C4C(C5C1C(C(O)=O)=C(C(OC)=O)C35)C2C=C4 |
|
| MCULE-5447946707 |
0.65 |
C(C)(=O)OC1CCC2(C)C3C(C4CC5C(C(C)C6(CCC(C)(CO6)[H])O5)C4(C)C(C=3)OC(C)=O)CCC2(C1)[H] |
|
| MCULE-8296033831 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(C(CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O)[H] |
|
| MCULE-5711398890 |
0.65 |
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-7665525246 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H] |
|
| MCULE-7237926274 |
0.65 |
C1CC2(C)C3C(O)OC(=O)C=3C(O)CC2C(C)(C)C1 |
|
| MCULE-7927686982 |
0.65 |
C12C3C4C(C5C1C(C(OC)=O)=C(C(OC)=O)C35)C2C=C4 |
|
| MCULE-2852293806 |
0.65 |
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-5464105562 |
0.65 |
C1CC2C(O)C3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C |
|
| MCULE-7783153626 |
0.65 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H] |
|
| MCULE-1305866944 |
0.65 |
O1C2C(C3CCCC=3C1=O)CCCC2 |
|
| MCULE-7498482995 |
0.65 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CC(C2)OC(CC)=O)C)=O |
|
| MolPort-002-184-085 |
0.65 |
CCc1cc2c(C)c(CC)c(=O)oc2cc1OC |
|
| MolPort-039-338-636 |
0.65 |
CC(C)=CCc1c(O)cc(O)c2c1occc2=O |
|
| MolPort-039-338-644 |
0.65 |
CC(C)=CCc1c(O)cc(O)c2c1oc1cc(O)cc(O)c1c2=O |
|
| MolPort-039-338-636 |
0.65 |
CC(C)=CCc1c(O)cc(O)c2c1occc2=O |
|
| MolPort-002-228-536 |
0.65 |
Cc1c(O)c(CC=C)cc2c1oc(=O)c1ccccc21 |
|
| MolPort-002-247-288 |
0.65 |
COc1ccc(cc1)C(=O)COc1ccc2c3ccccc3c(=O)oc2c1CC=C |
|
| MolPort-002-184-237 |
0.65 |
CCc1c(C)c2ccc(OC)c(C)c2oc1=O |
|
| MolPort-039-338-644 |
0.65 |
CC(C)=CCc1c(O)cc(O)c2c1oc1cc(O)cc(O)c1c2=O |
|
| MCULE-4183707305 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCC(OC)OC)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-9233497102 |
0.64 |
C(C1C=CC=CC=1)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)C(OC)=O |
|
| MCULE-9774427702 |
0.64 |
C1(C(O)=O)=C(C)C(OC21CCCCCC2)=O |
|
| MCULE-4913248007 |
0.64 |
C1C[C@@]2(C=O)[C@](C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)[C@H](C)O1)(CC[C@@]1([H])[C@@]3([C@@](CCC21)(C)[C@@H](C1=CC(=O)OC1)CC3)O)[H] |
|
| MCULE-8747175999 |
0.64 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@H]([C@H](C)O1)O)[H])C1COC(=O)C=1)OC(C)=O |
|
| MCULE-5318681089 |
0.64 |
CC1OCC(=CC(C)=O)CC1 |
|
| MCULE-6571514353 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCCCCCN=C[C@]13CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]3([H])CC[C@]3([C@]1(O)CC[C@@H]3C1COC(=O)C=1)C)O)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-8924549531 |
0.64 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O |
|
| MCULE-9778681385 |
0.64 |
C12(O)CCC(C1(C)CCC1C2CCC2([C@]1(C=O)CCC(C2)OC1CC(O)C(C(C)O1)OC1OCC(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-8464956672 |
0.64 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O |
|
| MCULE-9282238939 |
0.64 |
[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](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)O)C1COC(=O)C=1 |
|
| MCULE-8822838184 |
0.64 |
C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O |
|
| MCULE-2553518631 |
0.64 |
C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC=C21)O3 |
|
| MCULE-4810585887 |
0.64 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(OC(C)=O)C2(C)C)COC(C)=O |
|
| MCULE-2336158795 |
0.64 |
C12(O)CC[C@H](C1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=NCCCCCN=C[C@]13CCC(CC1(O)CCC1([H])[C@]3([H])CCC3(C1(O)CC[C@H]3C1COC(=O)C=1)C)O)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5237982656 |
0.64 |
C12(O)CC[C@H](C1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=NCCCCN=C[C@]13CCC(CC1(O)CCC1([H])[C@]3([H])CCC3(C1(O)CC[C@H]3C1COC(=O)C=1)C)O)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3079324701 |
0.64 |
C(=C1/CCCCC/1)/C(OCC)=O |
|
| MCULE-9246661061 |
0.64 |
C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C |
|
| MCULE-9445365128 |
0.64 |
C12(O)CC[C@H](C1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=NCCCCCCCCCC)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3044681837 |
0.64 |
CCOC(C1=CC2CCC1C=C2)=O |
|
| MCULE-5859688598 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O |
|
| MCULE-9310437016 |
0.64 |
C1CC2(C(CC1OC1OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C1O)CCC1C2CCC2(C(C3COC(C=3)=O)CCC12O)C)C=O |
|
| MCULE-7933091917 |
0.64 |
C(C)(OCCCCCCCCC=CCCCCCCCC)=O |
|
| MCULE-6016945740 |
0.64 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O |
|
| MCULE-7501400598 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NNC(N)=O)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-2780089397 |
0.64 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1 |
|
| MCULE-6460959687 |
0.64 |
C12C3C4CC1C2C4C(C(OC)=O)=C3C(OC)=O |
|
| MCULE-6453587330 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCCCCCCCCCC)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-2221943770 |
0.64 |
O=C(OCC)/C=C/C1CCCC1 |
|
| MCULE-3655756453 |
0.64 |
[C@@H]1(/C=C(\C)/C(O)=O)CC[C@@H](C)[C@@]2([H])[C@@H](CC(=C21)C)OC(C)=O |
|
| MCULE-1777552821 |
0.64 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C |
|
| MCULE-2022772727 |
0.64 |
O(CC)C(C=CC1CCCC1)=O |
|
| MCULE-2379449306 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NNCCO)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-3596150007 |
0.64 |
C(CCCCOC(=O)C)CCCCCC=CCCCC |
|
| MCULE-3530343693 |
0.64 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21 |
|
| MCULE-9256488831 |
0.64 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C=NC1CCCCC1 |
|
| MCULE-6166946540 |
0.64 |
O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1 |
|
| MCULE-9379833788 |
0.64 |
O=C1CCCC(C(=O)OC)=C1 |
|
| MCULE-7787476367 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)[C@@H](OC(C)=O)C[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1 |
|
| MCULE-3726837580 |
0.64 |
C1CCC(C(OC)=O)=C(C(OC)=O)CC1 |
|
| MCULE-1739744430 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H] |
|
| MCULE-3134788536 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCCCCN=C[C@]13CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]3([H])CC[C@]3([C@]1(O)CC[C@@H]3C1COC(=O)C=1)C)O)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5489339386 |
0.64 |
C12(O)CCC(C1(C)CC[C@@]1([H])[C@@]2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C(C(O)C1O)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-9828856949 |
0.64 |
O=C1C=C([C@H]2[C@]3(C)[C@@]([C@H]4[C@@H](CC3)[C@@]3(C)[C@@H](C[C@H](CC3)O[C@H]3O[C@H](C)[C@@H](O[C@H]5O[C@H](C)[C@@H](O)[C@@H](O)C5)[C@@H](O[C@H]5O[C@H](C)[C@@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5)C3)CC4)(O)C[C@@H]2O)CO1 |
|
| MCULE-5611717780 |
0.64 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=NNC(N)=O)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-1891862040 |
0.64 |
C1C(=O)OC2(CCCCC2)C=1OC |
|
| MCULE-1536474229 |
0.64 |
O=C(C1CCCCCC=1)OCC1COCC1 |
|
| MCULE-8114128388 |
0.64 |
C1CCCCCCCC/C(=C/C(=O)OCC)/CC1 |
|
| MCULE-8274191901 |
0.64 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O |
|
| MCULE-9083333929 |
0.64 |
C12(O)CCC(C1(C)CCC1C2CCC2([C@]1(C=NNCCO)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-8634819953 |
0.64 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C(C(O)C1O)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-9035451811 |
0.64 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H] |
|
| MCULE-8963378149 |
0.64 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1CC(O)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-6934635209 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C |
|
| MCULE-2003001350 |
0.64 |
C12(O)CC[C@H]([C@@]1(C)CCC1C2CCC2([C@]1(C=NNC(N)=O)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5525949786 |
0.64 |
CC(OC(C=C1C(C)(C)CCC1)=O)(C)C |
|
| MCULE-8170522822 |
0.64 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2(C1(C=NCC(OC)OC)CCC(O)C2)O)C1COC(=O)C=1 |
|
| MCULE-5327568983 |
0.64 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1CC(O)C(C(C)O1)OC1OCC(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-5422604738 |
0.64 |
[C@@]12(CCC(CC1(O)CC[C@]1([H])[C@]2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)O)C=NC1CCCCC1 |
|
| MCULE-2538735041 |
0.64 |
C(OCCC(C)CC/C=C(\C)/C)(C)=O |
|
| MCULE-6371108459 |
0.64 |
COC(C=CC1C2CCC(CC2)C1)=O |
|
| MolPort-002-120-294 |
0.64 |
CCc1cc(=O)oc2c(C)c(OC)ccc12 |
|
| MCULE-6823810978 |
0.64 |
CC(C(C1COCC1)=O)=CC(O)=O |
|
| MolPort-019-937-458 |
0.64 |
COc1cc2oc(=O)c(cc2cc1CC(O)C(C)(C)O)C(C)(C)C=C |
|
| MCULE-5531778494 |
0.64 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O |
|
| MolPort-000-791-660 |
0.64 |
COc1ccc2c(C)cc(=O)oc2c1C(C)=O |
|
| MCULE-8603655555 |
0.64 |
C1CC2(C=O)C3CCC4(C)C(C5=CC(=O)OC5)CCC4(O)C3CCC2CC1OC1CC(OC)C(OC2C(O)C(O)C(O)C(CO)O2)C(C)O1 |
|
| MolPort-020-006-028 |
0.64 |
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-5994274398 |
0.64 |
CC(C#N)(COC(C1CCCCC=1)=O)C |
|
| MolPort-000-650-877 |
0.64 |
COc1ccc2c(oc(=O)c3ccccc23)c1C |
|
| MCULE-4045769000 |
0.64 |
C(CCCOC(=O)C)CCC=CCCCC |
|
| MolPort-002-832-062 |
0.64 |
COc1ccc(\C=C/C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1 |
|
| MCULE-9714111933 |
0.64 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2([C@]1(C=O)CCC(C2)OC1CC(O)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MolPort-003-868-266 |
0.64 |
COc1ccc(\C=C\C(=O)c2c(O)ccc3c(C)cc(=O)oc23)cc1 |
|
| MCULE-8163822030 |
0.64 |
CC(OC(C1CCCCCC=1)=O)CC#N |
|
| MolPort-023-299-051 |
0.64 |
COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-4969717891 |
0.64 |
O1C(C(O)C(O)C(O)C1C)OC1CC(O)C23C(=O)OC4CC5(C)C(C6COC(C=6)=O)CCC5(O)C(CCC2(O)C1)C34 |
|
| MolPort-023-299-051 |
0.64 |
COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-4571932730 |
0.64 |
C12(O)CC(C(C1(C)CCC1C2CCC2C1(C)CCC(C2)OC1CC(OC)C(C(C)O1)O)C1COC(=O)C=1)OC(C)=O |
|
| MolPort-020-006-028 |
0.64 |
COc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-3739506947 |
0.64 |
CC1C(=CC(OC(C)(C)C)=O)CCC1 |
|
| MolPort-019-937-458 |
0.64 |
COc1cc2oc(=O)c(cc2cc1CC(O)C(C)(C)O)C(C)(C)C=C |
|
| MCULE-1713731192 |
0.64 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C |
|
| MCULE-5288653087 |
0.64 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O |
|
| MCULE-5145737541 |
0.64 |
CC(OC(C=C1C2C(C2)CC1)=O)(C)C |
|
| MCULE-8674366228 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O |
|
| MCULE-5096967193 |
0.64 |
C1[C@H](OC2CC(OC)C(OC3C(O)C(O)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)C(C)O2)CC2[C@@](C1)(C)C1CC[C@]3(C(C1CC2)(O)C[C@H](O)[C@@H]3C1COC(=O)C=1)C |
|
| MCULE-2652218990 |
0.64 |
C1C[C@]2(C=O)C3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1OC1CC(OC)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](CO)O2)C(C)O1 |
|
| MolPort-039-142-063 |
0.63 |
COc1ccc2ccc(=O)oc2c1C(COC(C)=O)C(C)=C |
|
| MolPort-044-754-062 |
0.63 |
COc1ccc2ccc(=O)oc2c1CCC(C)(C)O |
|
| MolPort-039-101-203 |
0.63 |
COc1c(CC=C(C)C)c(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O |
|
| MolPort-001-736-566 |
0.63 |
COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C |
|
| MolPort-002-228-483 |
0.63 |
COc1ccc2c3ccc(OC(C)C)c(C)c3oc(=O)c2c1 |
|
| MolPort-039-142-063 |
0.63 |
COc1ccc2ccc(=O)oc2c1C(COC(C)=O)C(C)=C |
|
| MCULE-3118016947 |
0.63 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2([C@]1(C=O)CCC(C2)OC1CC(OC)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MolPort-044-754-062 |
0.63 |
COc1ccc2ccc(=O)oc2c1CCC(C)(C)O |
|
| MCULE-7718450791 |
0.63 |
CC(=O)OC(C=C)CCCCC |
|
| MolPort-006-669-970 |
0.63 |
Cc1c(CC=C)c(=O)oc2cc(O)ccc12 |
|
| MCULE-8988297091 |
0.63 |
[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](C2)OC1OC(C)C2C(OC(O2)([H])C)C1)O)C1COC(=O)C=1 |
|
| MolPort-003-721-022 |
0.63 |
CC(=O)Oc1ccc2c(C)c(CC=C)c(=O)oc2c1 |
|
| MCULE-1085736388 |
0.63 |
C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O |
|
| MolPort-001-838-051 |
0.63 |
COc1cccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1OC |
|
| MCULE-5325377420 |
0.63 |
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 |
|
| MolPort-039-101-203 |
0.63 |
COc1c(CC=C(C)C)c(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O |
|
| MCULE-3268211483 |
0.63 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C |
|
| MCULE-7531396670 |
0.63 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2([C@]1(C=O)CCC(C2)OC1OC(C)C2C(OC(O2)(C)C)C1)O)C1COC(=O)C=1 |
|
| MCULE-9567571073 |
0.63 |
C(OCC(=CCC(C)COC(C)=O)C)(C)=O |
|
| MCULE-9219912776 |
0.63 |
[C@]12(C=O)CCC(CC1(CCC1C2CC[C@]2(C1(O)CCC2C1COC(=O)C=1)C)O[C@H]1O[C@H](C)[C@H]([C@H](O)[C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@@H](O)[C@H]1O)O |
|
| MCULE-9731133687 |
0.63 |
C1CC/C(/CCC1)=C\C(=O)OCC |
|
| MCULE-9876887128 |
0.63 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCC(OC)=O)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-6004210718 |
0.63 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1 |
|
| MCULE-9566808009 |
0.63 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C |
|
| MCULE-5828648964 |
0.63 |
C(C)(=O)OC(CCCCCCCC)C=C |
|
| MCULE-1631535635 |
0.63 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H] |
|
| MCULE-9372990721 |
0.63 |
C1(CC2C1CCC2)=CC(OCC)=O |
|
| MCULE-8025116603 |
0.63 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1OC(C)=O |
|
| MCULE-5937604280 |
0.63 |
C1C2O[C@]2(C[C@]2(O)C(C[C@H]3O[C@@]3(C)C1)=C(C)C(=O)O2)C |
|
| MCULE-8024539765 |
0.63 |
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-6747818247 |
0.63 |
CC(OC(C=C1C2CC2CCC1)=O)(C)C |
|
| MCULE-2298294846 |
0.63 |
C12(C)C(=CC(OC)CC1)CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21 |
|
| MCULE-3429789050 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H] |
|
| MCULE-5198741898 |
0.63 |
[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-8794665540 |
0.63 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O |
|
| MCULE-9599193894 |
0.63 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2 |
|
| MCULE-9654628102 |
0.63 |
O(C(CCC(C)C=C)C(C)=C)C(C)=O |
|
| MCULE-3239458544 |
0.63 |
[C@@]123[C@]([H])(C[C@@]4([H])C5COC(=O)C=5CC[C@]4(C)[C@]41O[C@]4([C@@]1(O[C@]1(C(C)C)[C@H]2OC(CCC(O)=O)=O)[H])[H])O3 |
|
| MCULE-3574561675 |
0.63 |
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-6481401182 |
0.63 |
[C@]12(C)CCC3C(CC(C4=CC(=O)CC[C@@]43C)=C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O |
|
| MCULE-5073678525 |
0.63 |
[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](C2)OC1OCC2C(C1)OC(O2)(C)C)O)C1COC(=O)C=1 |
|
| MCULE-2058016705 |
0.63 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C |
|
| MCULE-1584743999 |
0.63 |
[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-9414880096 |
0.63 |
C1(CC2C=CC(O2)C1)=CC(OC)=O |
|
| MCULE-6742056471 |
0.63 |
C1(CCCCCC)=C(Cl)C(OC1=O)=O |
|
| MCULE-7655404946 |
0.63 |
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1CC2[C@@](CC1)(C)C1[C@@]([H])(CC=2)[C@@]2(O)CC[C@@H]([C@@]2(C)CC1)C1=CC(=O)OC1 |
|
| MCULE-1955355747 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O |
|
| MCULE-1849472820 |
0.63 |
C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O |
|
| MCULE-8967153832 |
0.63 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C=C)CCC4C3CCC2(C1)[H])OC(C)=O |
|
| MCULE-8736730050 |
0.63 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C3(C)CC(=C)C21)OC(C)=O)[H] |
|
| MCULE-3761759934 |
0.63 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C2C(OC3(O2)CCCCC3)C1)O)C1COC(=O)C=1 |
|
| MCULE-4690306486 |
0.63 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C2C(OC(O2)(C)CC)C1)O)C1COC(=O)C=1 |
|
| MCULE-3082785721 |
0.63 |
CC(OC(/C=C1\CCCCCC\1)=O)(C)C |
|
| MCULE-6259050360 |
0.63 |
[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C |
|
| MCULE-1499638877 |
0.63 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O |
|
| MCULE-3578975374 |
0.63 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1CC(OC)C(C(C)O1)OC1OC(COC2OC(CO)C(C(O)C2O)O)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-1992456011 |
0.63 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O |
|
| MCULE-9110118029 |
0.63 |
[C@]12(C)C[C@@H](O)[C@]3([C@@]([H])(CC[C@]4(O)C[C@H](CC[C@]34C=O)O[C@@H]3O[C@H](C)[C@@H]([C@@H](O)[C@H]3O)O[C@@H]3O[C@H](CO)[C@H]([C@H](O)[C@H]3O)O)[C@@]1(O)CC[C@@H]2C1COC(=O)C=1)[H] |
|
| MCULE-4683482437 |
0.63 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1 |
|
| MCULE-7424984034 |
0.63 |
C1C[C@]2([H])[C@@](C)(CC/C(=C/C(OC)=O)/C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1 |
|
| MCULE-7171682034 |
0.63 |
C(C#N)(=CC1CCOC(C)(C)C1)C(OCC)=O |
|
| MCULE-9005119173 |
0.63 |
C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1 |
|
| MCULE-6598010820 |
0.63 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C2C(OC(O2)(C)C)C1)O)C1COC(=O)C=1 |
|
| MCULE-8564432592 |
0.63 |
COC(C=C1C2(CCCC2)CC1)=O |
|
| MCULE-3847929030 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)[C@@H](OC(=O)C)C[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1 |
|
| MCULE-4559063392 |
0.63 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C |
|
| MCULE-8877106409 |
0.63 |
COC(C=C1C2(CCCCC2)CC1)=O |
|
| MCULE-3762294950 |
0.63 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=C(C)Cl)C1CCC2C(C)CCCC(C)C |
|
| MCULE-6505560486 |
0.63 |
COC(C=C1C(C2CC2)CCCC1)=O |
|
| MCULE-8317697980 |
0.63 |
C[C@H]1OC(O[C@@H]2C[C@]3(O)[C@]([C@@]4([C@](CC3)(C)[C@@]3(O)[C@]([C@H](CC3)C3COC(=O)C=3)(C)CC4)C)(C=O)CC2)C[C@@H](OC)C1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](CO)C1 |
|
| MCULE-4812124360 |
0.63 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(OC)OC3=O)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1 |
|
| MCULE-7474056373 |
0.63 |
COC(/C=C1\CCC2(CC2)CC\1)=O |
|
| MCULE-8036810785 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H] |
|
| MCULE-9643911455 |
0.63 |
C1(OCC2COC(C=21)CCCCCCC(C)C)=O |
|
| MCULE-3930733123 |
0.63 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1CC(OC)C(C(C)O1)OC1OC(CO)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-4103920893 |
0.63 |
C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C |
|
| MCULE-2794249583 |
0.63 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC |
|
| MCULE-9107883806 |
0.63 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H] |
|
| MCULE-6954620921 |
0.63 |
C12(O)CC[C@H](C1(C)CC[C@@]1([H])[C@@]2([H])CCC2(C1(C=O)CCC(C2)OC1CC(OC)C(C(C)O1)OC1OC(COC2OC(CO)C(C(O)C2O)O)C(C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-8873828930 |
0.63 |
C1=CC2(C)CCC3C(=C)C(=O)OC3C2=C(C)C1=O |
|
| MCULE-1414577822 |
0.63 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2 |
|
| MCULE-7816980935 |
0.63 |
CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O |
|
| MCULE-9912732918 |
0.63 |
C1C[C@]2(C)[C@@]3([H])C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1 |
|
| MCULE-6721748919 |
0.63 |
C1(OCC2COC(CCCCCCC)C=21)=O |
|
| MCULE-5565272965 |
0.63 |
C12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=O)CCC(C2)OC1OC(C)C2C(OC3(O2)CCCCC3)C1)O)C1COC(=O)C=1 |
|
| MCULE-9464302631 |
0.63 |
C12C(O)[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2 |
|
| MCULE-9301632354 |
0.63 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H] |
|
| MCULE-4931626385 |
0.63 |
C12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=O)CCC(C2)OC1OC(C)C2C(OC(O2)(C)CC)C1)O)C1COC(=O)C=1 |
|
| MCULE-1414318418 |
0.62 |
O1C(=O)C(C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCC)O2)=C[C@@H]1C |
|
| MCULE-3733595575 |
0.62 |
C(/C)(\C)=C/C1C(C)(C)C1C(=O)OC1CC(=O)C(CC=C)=C1C |
|
| MCULE-2712949914 |
0.62 |
C12(O)CC(C(C1(C)CC[C@@]1([H])[C@@]2([H])CCC2(C1(C)CCC(C2)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)OC1CC(O)C(C(C)O1)O)[H])C1COC(=O)C=1)OC(C)=O |
|
| MCULE-8446771640 |
0.62 |
CC1CC(=CC(OC(C)(C)C)=O)CC1 |
|
| MCULE-8782047011 |
0.62 |
[C@@]12(OC(=O)C)C[C@H]([C@]3(O)[C@]4([H])C=C(C)C(=O)[C@]4(CC(CO)=C[C@@]3([H])[C@]1([H])C2(C)C)O)C |
|
| MCULE-3904337859 |
0.62 |
C1CC2(C)C(C3=CC(=O)OC3)C(O)CC2(O)C2CCC3CC(O[C@H]4[C@H](O)[C@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H](C)O4)CCC3(C=O)C12 |
|
| MCULE-3814423488 |
0.62 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@H]1C[C@H](OC(C)=O)[C@@H]([C@@H](C)O1)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)C1COC(=O)C=1)O |
|
| MCULE-1550349961 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(O)CCOC(C)=O |
|
| MCULE-4749657700 |
0.62 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)(O)C=C)OC(=O)C |
|
| MCULE-1909780355 |
0.62 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)Cl |
|
| MCULE-1964035700 |
0.62 |
OC(C=CC1CCOCC1)=O |
|
| MCULE-2972497233 |
0.62 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O |
|
| MCULE-9253743476 |
0.62 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C |
|
| MCULE-9277035146 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCBr)CCC4C3CCC2C1 |
|
| MCULE-1410893528 |
0.62 |
COC(C=C1CC(C2CC2)OC1)=O |
|
| MCULE-7045690825 |
0.62 |
[C@]12(O)C[C@H](O)[C@H](C3=CC(=O)OC3)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@@H](O[C@@H]6O[C@@H]([C@@H](O[C@H]7[C@H](O)[C@H]([C@H](O)[C@@H](CO)O7)O)[C@@H](OC(=O)C)C6)C)[C@@H](O)C5)C)[C@@H](O)C4)C)C[C@@]3([H])CC[C@@]21[H] |
|
| MCULE-4024027310 |
0.62 |
C(OC)(=O)/C=C/CCCCCC |
|
| MCULE-6677258592 |
0.62 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C=O)CCC(C2)OC1CC(OC)C(C(C)O1)OC(C)=O)O)C1COC(=O)C=1 |
|
| MCULE-7829335047 |
0.62 |
C12OC(CC1)C=C2C(OCC)=O |
|
| MCULE-1104455109 |
0.62 |
C1(C)(C(C)CCC2(C)C(=CCCC21)C)CC1CC(CCC1OC(C)=O)OC(C)=O |
|
| MCULE-9709244279 |
0.62 |
C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC |
|
| MCULE-2950763490 |
0.62 |
COC(C=CC1CC2C(C2)CC1)=O |
|
| MCULE-9277457173 |
0.62 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C=O)CCC(C2)OC1CC(OC(C)=O)C(C(C)O1)OC(C)=O)O)C1COC(=O)C=1 |
|
| MCULE-8918279747 |
0.62 |
C(=CC1CCCC1)C(OC)=O |
|
| MCULE-6682721229 |
0.62 |
[C@@]12(CCC(CC1(O)CCC1C2CC[C@]2(C1(O)CC[C@H]2C1COC(=O)C=1)C)OC1CC(OC)C(C(C)O1)OC(C)=O)C#N |
|
| MCULE-8513241513 |
0.62 |
C12(C)CCC3(C)CCC(C(=C)C)C3C1CCC1C3(C)CCC(OC(=O)C)C(C)(C)C3CCC21C |
|
| MCULE-7236722260 |
0.62 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O |
|
| MCULE-1077978348 |
0.62 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)C(=O)O[C@@H]1CC[C@@]2(C(=CCC3C2CC[C@@]2(C3CCC2CCCCCCCC)C)C1)C |
|
| MCULE-4171275205 |
0.62 |
C(C)CCCC([H])=C([H])C(OCC)=O |
|
| MCULE-3102057992 |
0.62 |
C(OC)(=O)C=CCCCCCC |
|
| MCULE-9798772296 |
0.62 |
O=C(C1CCCCC=1)OC1CCC2(OCCO2)CC1 |
|
| MCULE-9876206397 |
0.62 |
O=C(OCCC(C)CC/C=C(\C)/C)C(C)C |
|
| MCULE-9460712409 |
0.62 |
C(OCCC(C)CC/C=C(\C)/C)(CC)=O |
|
| MCULE-7247024759 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O |
|
| MCULE-9685713189 |
0.62 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC1CC(OC)C(C(C)O1)OC(C)=O)C#N |
|
| MCULE-8983467960 |
0.62 |
C1(C(=O)OC2CC(C(CC=C)=C2C)=O)C(C1(C)C)C(C)=CC |
|
| MCULE-8193555834 |
0.62 |
CC(OC(C=C1CC(C)(C)CC1)=O)(C)C |
|
| MCULE-8650423250 |
0.62 |
CC1OCCC(=CC(OC(C)(C)C)=O)C1 |
|
| MCULE-3798887300 |
0.62 |
[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 |
|
| MCULE-1112041418 |
0.62 |
O=C1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C12)OC(C)=O)[H] |
|
| MCULE-3583239018 |
0.62 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O |
|
| MCULE-9544471726 |
0.62 |
C1(CCC(CC=1C)=O)C(OCC)=O |
|
| MCULE-6887763526 |
0.62 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)O |
|
| MCULE-4176831119 |
0.62 |
C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C |
|
| MCULE-9034458089 |
0.62 |
C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12 |
|
| MCULE-2054566768 |
0.62 |
[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O |
|
| MCULE-6266062726 |
0.62 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O |
|
| MCULE-2039968402 |
0.62 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O |
|
| MCULE-4894937500 |
0.62 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O |
|
| MCULE-5586842007 |
0.62 |
CCCCCC=CC(=O)OC(C)(C)C |
|
| MCULE-6365543649 |
0.62 |
CC(OC(C=C1COCCC1)=O)(C)C |
|
| MCULE-1352596380 |
0.62 |
COC(/C=C/C1CCCC1)=O |
|
| MCULE-9915754968 |
0.62 |
CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)O |
|
| MCULE-8166977907 |
0.62 |
O=C(OCC1CC=CCC1)CC1CCCC1 |
|
| MCULE-2062809477 |
0.62 |
[C@@H]1(C)CC[C@@H](O)C=CC(=O)O[C@H](C)[C@@H](O)C=CC(=O)O1 |
|
| MCULE-2338427492 |
0.62 |
CC(CC1OCCC1)=CC(O)=O |
|
| MCULE-6120787334 |
0.62 |
C12CC34CCCCC3(C=C1)C4C(=O)O2 |
|
| MCULE-4274335769 |
0.62 |
C1[C@H](C)OC(=O)C=1C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1 |
|
| MCULE-8483432280 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(C=NNC(N)=S)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-4899690160 |
0.62 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C |
|
| MCULE-7490760496 |
0.62 |
O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CCCCCCCCC=C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1 |
|
| MCULE-3606282792 |
0.62 |
C(OC)(=O)C1CCCC=1 |
|
| MCULE-2726581544 |
0.62 |
C(OCC1CC=CCC1C)(C)=O |
|
| MCULE-7768501355 |
0.62 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12 |
|
| MCULE-8147689136 |
0.62 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O[C@H]1C[C@H](OC(C)=O)[C@@H]([C@@H](C)O1)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)[H])C1COC(=O)C=1)O |
|
| MCULE-2678037862 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@]4([H])CC(=O)CC[C@]34C)C1=CC=C2C1COC(=O)C=1)[H] |
|
| MCULE-8053235070 |
0.62 |
[C@@]12(CCC(CC1(O)CCC1([H])[C@]2([H])CC[C@]2(C1(O)CC[C@H]2C1COC(=O)C=1)C)OC1CC(OC(C)=O)C(C(C)O1)OC(C)=O)C#N |
|
| MCULE-2403352810 |
0.62 |
C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H] |
|
| MCULE-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-5823109002 |
0.62 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12 |
|
| MCULE-7442709707 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1 |
|
| MCULE-8026798132 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O |
|
| MCULE-5998876996 |
0.62 |
O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12 |
|
| MCULE-4895716264 |
0.62 |
C1/C(=C/C(OC)=O)/CCCC1 |
|
| MCULE-6919222464 |
0.62 |
CC(C=C(CC1COCC1)C)=O |
|
| MCULE-3922449822 |
0.62 |
O=C1C2CC(C=CC2)O1 |
|
| MCULE-2782751278 |
0.62 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C(C)=C(C)Cl)C1CC[C@]2([H])[C@H](C)CCCC(C)C |
|
| MCULE-5485844450 |
0.62 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C |
|
| MCULE-7919520627 |
0.62 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC=C |
|
| MolPort-003-868-003 |
0.62 |
COc1cc(\C=C\C(=O)c2c(O)c3ccccc3oc2=O)cc(OC)c1OC |
|
| MolPort-002-183-927 |
0.62 |
Cc1cc(=O)oc2c(C)c(O)c(CC=C)cc12 |
|
| MolPort-002-838-284 |
0.62 |
CCc1c(C)c2cc(CC=C)c(O)c(C)c2oc1=O |
|
| MolPort-001-825-214 |
0.62 |
CC(C)Oc1ccc2c3ccccc3c(=O)oc2c1C |
|
| MolPort-002-324-877 |
0.62 |
Cc1c(CC=C)c(=O)oc2cc(OCc3ccccc3)ccc12 |
|
| MolPort-002-846-555 |
0.62 |
COc1ccc(\C=C\C(=O)c2c(OC)ccc3c(cc(=O)oc23)-c2ccccc2)cc1 |
|
| MolPort-002-184-033 |
0.62 |
CCOc1ccc2c(C)c(CC)c(=O)oc2c1C |
|
| MolPort-023-298-871 |
0.62 |
COc1cc2oc(=O)cc(OC)c2c(C)c1OC |
|
| MolPort-002-832-061 |
0.62 |
Cc1cc(=O)oc2c(C(=O)\C=C\c3ccccc3)c(O)ccc12 |
|
| MolPort-002-330-418 |
0.62 |
CC(C)=C1Cc2cc3ccc(=O)oc3cc2O1 |
|
| MolPort-039-338-510 |
0.62 |
CC(C)=CCc1c(O)c(CC=C(C)C)c2occc(=O)c2c1O |
|
| MolPort-023-299-048 |
0.62 |
COc1c(O)c(CC=C(C)C)cc2c1oc1c(O)ccc(O)c1c2=O |
|
| MolPort-001-741-426 |
0.62 |
CC(C)=CCC\C(C)=C\Cc1cc2ccc(=O)oc2cc1O |
|
| MolPort-039-008-933 |
0.62 |
COc1c(Cc2ccccc2)c(=O)oc2ccc3ccccc3c12 |
|
| MolPort-007-904-338 |
0.62 |
CCOc1ccc(\C=C\C(=O)c2cc3ccc(OC)cc3oc2=O)cc1OC |
|
| MolPort-002-367-666 |
0.62 |
COc1ccc2c3ccc(O)c(C)c3oc(=O)c2c1 |
|
| MolPort-001-741-822 |
0.62 |
CC(C)=CCc1c(O)cc2oc3c(CC=C(C)C)c(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O |
|
| MolPort-023-298-871 |
0.62 |
COc1cc2oc(=O)cc(OC)c2c(C)c1OC |
|
| MolPort-039-008-933 |
0.62 |
COc1c(Cc2ccccc2)c(=O)oc2ccc3ccccc3c12 |
|
| MolPort-023-299-048 |
0.62 |
COc1c(O)c(CC=C(C)C)cc2c1oc1c(O)ccc(O)c1c2=O |
|
| MolPort-039-338-510 |
0.62 |
CC(C)=CCc1c(O)c(CC=C(C)C)c2occc(=O)c2c1O |
|
| MolPort-042-675-340 |
0.62 |
COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C |
|
| MolPort-019-937-117 |
0.62 |
COc1cc2oc(=O)c(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O |
|
| MolPort-019-937-117 |
0.62 |
COc1cc2oc(=O)c(cc2c(OC)c1CC=C(C)C)-c1ccc(O)cc1O |
|
| MolPort-042-675-340 |
0.62 |
COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C |
|
| MCULE-8995686119 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C(C)Cl)C1CCC2C(C)CCCC(C)C |
|
| MCULE-4985709972 |
0.61 |
C12C(CC=C(C(OC)=O)C1)O2 |
|
| MCULE-9050797198 |
0.61 |
C12C(O)CC3C=CC(C=C1C(OC)=O)C32 |
|
| MCULE-6330480709 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1 |
|
| MCULE-9358571952 |
0.61 |
COC(C=C1C(C(C)C)CCCCC1)=O |
|
| MCULE-6250100613 |
0.61 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1 |
|
| MCULE-9824449913 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O |
|
| MCULE-7413623623 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)C |
|
| MCULE-1291038880 |
0.61 |
C[C@H](CCC(=O)OC)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C(=CC)C3=O)[H])([H])CC1 |
|
| MCULE-3334544373 |
0.61 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C |
|
| MCULE-1400269697 |
0.61 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC |
|
| MCULE-5537477153 |
0.61 |
C1CC(C(C)C)C(C2C1(O)COC2=O)/C=C(\CO)/C(=O)OCC1(O)C2C(=O)OCC(C(O)=O)=CC2C(C(C)C)CC1 |
|
| MCULE-1716653767 |
0.61 |
CC(OCC([C@@]1([C@]2(C)[C@H]([C@H]3[C@H]([C@H](C2)O)[C@]2(C)C(=CC(CC2)=O)CC3)CC1)O)=O)=O |
|
| MCULE-6921575032 |
0.61 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O |
|
| MCULE-1889700737 |
0.61 |
[Na+].CC12CCC3([H])C(C(OC(=O)CCC([O-])=O)CCC3(C)C1([H])C(C=C1C3([H])CC(C)(C(O)=O)CCC3(C)CCC21C)=O)(C)C |
|
| MCULE-8752174219 |
0.61 |
CCOC1CCC(=CC(O)C)CC1 |
|
| MCULE-2128020767 |
0.61 |
C(OC(CCC(=C)C)C(C)=C)(C)=O |
|
| MCULE-2754730792 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)=O |
|
| MCULE-1929932707 |
0.61 |
CCC1C(=CC(OC)=O)CCCCC1 |
|
| MCULE-9894416903 |
0.61 |
C1CC2(C)C3(CCC(C=C)(C)C=C3C(O)=O)OC(=O)C2C(C)(C)C1 |
|
| MCULE-6189866164 |
0.61 |
COC(C=C1C(C)CCCCC1)=O |
|
| MCULE-2934816430 |
0.61 |
O1C(C)(C)CC(C)=CC1=O |
|
| MCULE-8496994310 |
0.61 |
COC(C[C@H](OC(C1CCCCC=1)=O)C)=O |
|
| MCULE-1110502851 |
0.61 |
C(C)(=CCCCCCC)COC(=O)CC |
|
| MCULE-7066977600 |
0.61 |
CC(CC1COCC1)=C(C(O)=O)F |
|
| MCULE-8615958761 |
0.61 |
C1C[C@]2(C)C3C(=O)C[C@]4(C)[C@@H]([C@@H](CCC(=O)OC)C)C[C@H](O)[C@@]4(C)C=3[C@@H](O)C[C@@]2([H])[C@@](C)(CO)C1=O |
|
| MCULE-5953628396 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C)=O |
|
| MCULE-8764003404 |
0.61 |
C1(C(C)CCC(C(C)=C)C1)OC(C)=O |
|
| MCULE-8361274228 |
0.61 |
CC(CC1OCCC1)=C(C(O)=O)C |
|
| MCULE-6558725975 |
0.61 |
OC(C=CC(C1COCC1)=O)=O |
|
| MCULE-2703659948 |
0.61 |
C1CC2(C)C(CCC(C)CCOC(=O)C)C(=C)CCC2C(C)(C)C1O |
|
| MCULE-5613497776 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C |
|
| MCULE-7999402217 |
0.61 |
[C@]12(C)CC[C@](CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)(C)OC(C)=O |
|
| MCULE-2983690182 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O |
|
| MCULE-7068002290 |
0.61 |
C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O |
|
| 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 |
|
| MCULE-7414624056 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O |
|
| MCULE-8785798599 |
0.61 |
C1(CC2CC1C(C2(C)C)C)=C(C#N)C(OCC)=O |
|
| MCULE-2611469442 |
0.61 |
C(/C#N)(\C(OCC)=O)=C1\CCC2(CC\1)OCCO2 |
|
| MCULE-8247739375 |
0.61 |
C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O |
|
| MCULE-4098552700 |
0.61 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1 |
|
| MCULE-8140512979 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H] |
|
| MCULE-4800012179 |
0.61 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O |
|
| MCULE-3117538479 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC=C)(O)CCC4C3CCC2(C1)[H] |
|
| MCULE-7757466005 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@@H]2[C@H](C)C=C[C@@H](CC)C(C)C |
|
| MCULE-3762190089 |
0.61 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C |
|
| MCULE-2427659817 |
0.61 |
[C@]12(C)CC[C@@H](C=C1C=C[C@@]1([H])C3[C@@](C)([C@@]4(CC3)CCC(=O)O4)CCC12)OC(C)=O |
|
| MCULE-8617095272 |
0.61 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C |
|
| MCULE-9469349565 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=C(COC(=O)C)C#N |
|
| MCULE-6232978473 |
0.61 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C |
|
| MCULE-4461233711 |
0.61 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC=C2C(C)=O |
|
| MCULE-8526893307 |
0.61 |
CC(=O)OC(C=C)(C)CC/C=C(/C)\C |
|
| MCULE-8638278493 |
0.61 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2 |
|
| MCULE-4024956051 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C |
|
| MCULE-9975844805 |
0.61 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2 |
|
| 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-1665605717 |
0.61 |
[Na+].[Na+].CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C |
|
| MCULE-3525602825 |
0.61 |
CC(=O)OCC(=O)[C@@]1([C@]2(C[C@@H]([C@@H]3[C@]4(C)C(=CC(=O)CC4)CC[C@H]3[C@@H]2CC1)O)C)O |
|
| MCULE-3787684558 |
0.61 |
C(OC)(=O)C=CCCCCC |
|
| MCULE-8139216985 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)O)C1COC(=O)C=1 |
|
| MCULE-2328694476 |
0.61 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CC[C@@H](CC)C(C)C |
|
| MCULE-9796548246 |
0.61 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C=NC1C=CC=CC=1 |
|
| MCULE-1465573856 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H] |
|
| MCULE-7225794462 |
0.61 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1 |
|
| MCULE-3331989617 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H] |
|
| MCULE-4346215084 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C)=O |
|
| MCULE-5653473871 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H] |
|
| MCULE-5869293075 |
0.61 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1 |
|
| MCULE-1496776491 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H] |
|
| MCULE-7586213775 |
0.61 |
C12([H])CC(O)C3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(O)C(=O)COC(C)=O)[H] |
|
| MCULE-2954267118 |
0.61 |
C1CC/C(/CCC1)=C\C(=O)OC |
|
| MCULE-2875423098 |
0.61 |
C12(C)C[C@H](C3C4(C)C=CC(=O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)COC(=O)C)O |
|
| MCULE-1546940698 |
0.61 |
C12CCC3(C)C(CCC3C1CC=C1CC(CCC21C)OC(=O)C)OC(=O)C |
|
| MCULE-4320332467 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(C)C(C)C)CCC4C3CC=C2C1 |
|
| MCULE-8726234628 |
0.61 |
C12C3C(C)(CCC(C)(C(OCC#C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C |
|
| MCULE-7842753172 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)O |
|
| MCULE-3185796840 |
0.61 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H] |
|
| MCULE-1094526426 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O |
|
| MCULE-3254382141 |
0.61 |
C12(C)CCC(OC(C)=O)CC1=CCC1C2CCC2(C)C1CCC2=CC |
|
| MCULE-3496812213 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(CC)C(C)C |
|
| MCULE-2069877830 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21 |
|
| MCULE-6247777566 |
0.61 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C |
|
| MCULE-7465845608 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O |
|
| MCULE-9952649566 |
0.61 |
CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C |
|
| MCULE-5926783574 |
0.61 |
C1C(O)C2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1O |
|
| MCULE-1037468745 |
0.61 |
C1CC(C)(C)[C@@]2([H])[C@@](C)([C@@](CO)(C(=C[C@H]2OC(/C=C/C=C/C)=O)CO)O)C1 |
|
| MCULE-7091792733 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H] |
|
| MCULE-7507181537 |
0.61 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO |
|
| MCULE-1299527799 |
0.61 |
C1CC2(C)C(CC1OC1CC(OC)C(OC3C(O)C(O)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)C(C)O1)CCC1C3(O)C(CCC21)(C)C(C1=CC(=O)OC1)C(OC(C)=O)C3 |
|
| MCULE-1120014260 |
0.61 |
[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-8064344923 |
0.61 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H] |
|
| MCULE-8269410469 |
0.61 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(C[C@@H](C4=CC(=O)CC[C@]34C)C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H] |
|
| MCULE-6632709049 |
0.61 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2 |
|
| MCULE-7424475004 |
0.61 |
C1C[C@@]2([C@@]3([H])CC[C@@]4([C@@]5([C@@](C)(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)([C@H]1OC(=O)C)C)CCC(=C)[C@H]5C)[H])[H])C |
|
| 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-6799888455 |
0.61 |
C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1 |
|
| MCULE-8982382729 |
0.61 |
C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H] |
|
| MCULE-3117776619 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1)=CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H] |
|
| MCULE-7519944367 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O |
|
| MCULE-5774659854 |
0.61 |
C1(CCC2C3C([C@]4(CCCCC4CC3)C)CC[C@]12C)=C(C#N)C(OCC)=O |
|
| MCULE-3027567956 |
0.61 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O |
|
| MCULE-2551313783 |
0.61 |
C1(CC2C(C)(C)C1(C)CC2)=C(C#N)C(OCC)=O |
|
| MCULE-7135107425 |
0.61 |
[Na+].[Na+].[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O |
|
| MCULE-5890486790 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NCC1C=CC=CC=1)CC[C@H](O)C2)O)C1COC(=O)C=1 |
|
| MCULE-2832051071 |
0.61 |
C1CC2(C)C3C(OC)OC(=O)C=3C(O)CC2C(C)(C)C1 |
|
| MCULE-3861744236 |
0.61 |
C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O |
|
| MCULE-8641360664 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(O)CCC(C)C)CCC4C3CC=C2C1 |
|
| MCULE-8770472130 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O |
|
| MCULE-2048707819 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C |
|
| MCULE-2659782471 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H] |
|
| MCULE-5303288459 |
0.61 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O |
|
| MCULE-3501875786 |
0.61 |
[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-2441734480 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(C(=C)CC4C3C=C(OC)C2=C1)(OC(C)=O)C(C)=O |
|
| MCULE-2555920424 |
0.61 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1 |
|
| MCULE-2597929771 |
0.61 |
O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)C(C)=O |
|
| MCULE-1555066285 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H] |
|
| MCULE-8304268118 |
0.61 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O |
|
| MCULE-5907023439 |
0.61 |
[C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C |
|
| MCULE-5473746623 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)OC(C)=O |
|
| MCULE-3011305929 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H] |
|
| MCULE-9798073540 |
0.61 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O |
|
| MolPort-001-683-777 |
0.61 |
CCc1c(C)c2ccc(OCC(C)C)cc2oc1=O |
|
| MolPort-000-859-885 |
0.61 |
COc1ccc2c3ccc(OCC=C(C)C)c(C)c3oc(=O)c2c1 |
|
| MolPort-002-184-171 |
0.61 |
CCOc1ccc2c(C)c(CC)c(=O)oc2c1 |
|
| MolPort-002-329-259 |
0.61 |
COc1ccc(cc1OC)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O |
|
| MolPort-000-693-527 |
0.61 |
CCc1cc(=O)oc2cc(OC)cc(OC)c12 |
|
| MolPort-002-237-204 |
0.61 |
COc1ccc2c3ccc(OC(C)c4ccccc4)c(C)c3oc(=O)c2c1 |
|
| MolPort-002-247-866 |
0.61 |
CCCOc1ccc2c(C)c(CC)c(=O)oc2c1 |
|
| MolPort-001-741-013 |
0.61 |
COc1ccc2ccc(=O)oc2c1CC(O)C(C)=C |
|
| MolPort-020-005-752 |
0.61 |
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)=C |
|
| MolPort-029-887-088 |
0.61 |
COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)=C |
|
| MolPort-000-739-674 |
0.61 |
CCc1c(C)c2ccc(OCC=C)cc2oc1=O |
|
| MolPort-002-120-471 |
0.61 |
CCOc1ccc2c(CC)cc(=O)oc2c1C |
|
| MolPort-002-838-285 |
0.61 |
CCc1cc2c(C)c(CC)c(=O)oc2cc1OCC=C |
|
| MolPort-039-348-079 |
0.61 |
COc1ccccc1\C=C\C=C\C(=O)c1cc2ccc(O)cc2oc1=O |
|
| MolPort-002-206-407 |
0.61 |
CCCc1cc(=O)oc2c(C)c(OC)ccc12 |
|
| MolPort-002-641-298 |
0.61 |
COc1cc(ccc1O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O |
|
| MolPort-002-183-495 |
0.61 |
CCc1c(C)c2ccc(OCC=C)c(C)c2oc1=O |
|
| MolPort-002-367-330 |
0.61 |
CCOc1ccc2c(oc(=O)c3ccccc23)c1C |
|
| MolPort-002-184-240 |
0.61 |
CCOc1cc2oc(=O)c(CC)c(C)c2cc1CC |
|
| MolPort-023-299-047 |
0.61 |
CC(C)=CCc1c(O)cc(O)c2c1oc1c(O)cccc1c2=O |
|
| MolPort-029-887-086 |
0.61 |
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)C |
|
| MolPort-010-699-848 |
0.61 |
C=CCc1cccc2ccc(=O)oc12 |
|
| MolPort-020-005-752 |
0.61 |
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)=C |
|
| MolPort-039-348-079 |
0.61 |
COc1ccccc1\C=C\C=C\C(=O)c1cc2ccc(O)cc2oc1=O |
|
| MolPort-029-887-088 |
0.61 |
COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)=C |
|
| MolPort-002-085-804 |
0.61 |
COc1ccc2c(C)cc(=O)oc2c1C |
|
| MolPort-023-299-047 |
0.61 |
CC(C)=CCc1c(O)cc(O)c2c1oc1c(O)cccc1c2=O |
|
| MolPort-000-779-653 |
0.61 |
COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C |
|
| MolPort-029-887-086 |
0.61 |
COc1ccc2ccc(=O)oc2c1CC(=O)C(C)C |
|
| MolPort-007-945-916 |
0.61 |
CCOc1ccc(\C=C\C(=O)c2c(O)c3ccccc3oc2=O)cc1OC |
|
| MCULE-1278081687 |
0.60 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O |
|
| MolPort-023-278-989 |
0.60 |
COc1cc2oc3c(O)ccc(O)c3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-2014291882 |
0.60 |
C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O |
|
| MolPort-002-343-334 |
0.60 |
COc1cc(cc(OC)c1O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O |
|
| MCULE-3354217980 |
0.60 |
O(C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](C[C@H](O[C@@H]3CC4=CCC5[C@@]6(O)CC[C@H](C7COC(=O)C=7)[C@@]6(C)CCC5[C@@]4(C)CC3)O[C@H]2C)OC)O1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MCULE-2561071555 |
0.60 |
C12(C3C(C(F)(F)F)OC(=O)C=3C1)CCCCC2 |
|
| MCULE-7623122514 |
0.60 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O |
|
| MCULE-6114611450 |
0.60 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O |
|
| MCULE-8292530097 |
0.60 |
O1C[C@@]21[C@@]1([H])[C@H](O)[C@@H](OC(=O)C)[C@]2(C)[C@]2(COC(C)=O)[C@]([H])(O1)C=C(C)CC2 |
|
| MCULE-8297229450 |
0.60 |
C12C[C@H]3[C@@H](C[C@H](C)[C@]1([H])CC(=O)C=2C)OC(=O)C3=C |
|
| MCULE-2600806760 |
0.60 |
C1CC2C3(O)CCC(C)(C=C)C=C3C(=O)OC(=O)C=2C(C)(C)C1 |
|
| MCULE-8659825806 |
0.60 |
C1C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1 |
|
| MCULE-7379992902 |
0.60 |
C12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=NO)CCC(C2)OC1OC(C)[C@@H](C(O)C1O)O)O)C1COC(=O)C=1 |
|
| MCULE-4347715073 |
0.60 |
C1(C(OC)=O)=C(O)CC2CC3(OCC(CO3)(C)C)CC12 |
|
| MCULE-9803186551 |
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(C)=O)[H] |
|
| MCULE-6126592730 |
0.60 |
O1C2C31C(C)(CCC(O)C3)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=C2)[H] |
|
| MCULE-4090607765 |
0.60 |
C1=C(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1O |
|
| MCULE-4161111446 |
0.60 |
CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C |
|
| MCULE-4328068845 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=C[C@@H](OC)[C@@]2(O)C[C@H]1O |
|
| MCULE-5099122669 |
0.60 |
[C@]12(C)C[C@@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H] |
|
| MCULE-9352251517 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H] |
|
| MCULE-9196010352 |
0.60 |
C[C@@]12[C@]3(CO)[C@](C=C([C@H](C3)OC(=O)CC(C)C)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2O |
|
| MCULE-7796629536 |
0.60 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)C(=O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2 |
|
| MCULE-1152059303 |
0.60 |
C1(CC2CCC(O2)C1)=CC(O)=O |
|
| MCULE-4464120365 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O |
|
| MCULE-4149750257 |
0.60 |
C12([C@@]3([H])[C@@H]([C@@H](O)[C@@]1([C@@]1([C@@]([H])(C=C([C@@H](OC(=O)C)C1)C)O3)COC(C)=O)C)O)CO2 |
|
| MCULE-5563929213 |
0.60 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O |
|
| MCULE-5157212193 |
0.60 |
C1=CC(O)CCC21CCOC(C)(CC)C2 |
|
| MCULE-1459395786 |
0.60 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1 |
|
| MCULE-1300552918 |
0.60 |
C1(C(OC)=O)C2C(C3CC2C=C3)C=1C(OC)=O |
|
| MCULE-1838518608 |
0.60 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C |
|
| MCULE-4173076088 |
0.60 |
C12(C)C3C(C4OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC |
|
| MCULE-7783529046 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O |
|
| MCULE-6680939605 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C=CC |
|
| MCULE-9254356497 |
0.60 |
C12(C)C3C(C4(C)OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC |
|
| MCULE-9485946749 |
0.60 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1 |
|
| MCULE-5883474591 |
0.60 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]4[C@@H](C3)OC(C)(C)O4)C1CC[C@]1(C)C(CC[C@@]21O)[C@]1(C)C(CCC(C)(C)OC(C)=O)OC(C)(C)O1)[H] |
|
| MCULE-6205968330 |
0.60 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=NO)CCC(C2)OC1CC(OC)C(C(C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-7186730051 |
0.60 |
CC(C(C#N)(C)C)OC(C1CCCC=1)=O |
|
| MCULE-6837878494 |
0.60 |
C12C(C(=C)C)CCC1(COC(=O)C)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)=O |
|
| MCULE-5499641918 |
0.60 |
C12(C)CCC(CC1OC(=O)C=CC(O)=O)C2(C)C |
|
| MCULE-8508377175 |
0.60 |
C1C[C@@]2(C3C(CC(OC(=O)C)C2=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O1)(O)[C@]1(CC[C@H](C2=CC(=O)OC2)[C@]1(CC3)C)O)C |
|
| MCULE-9006451734 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O |
|
| MCULE-3048403336 |
0.60 |
C1(CC2CC1CC2)OC(=O)C=CC(O)=O |
|
| MCULE-5949800550 |
0.60 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2OC(=O)C |
|
| MCULE-2099620813 |
0.60 |
C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C |
|
| MCULE-3995023146 |
0.60 |
[C@@]12(OC(=O)C)CO[C@]1([H])C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)[C@@H](OC(=O)C)C[C@@](O)(C3(C)C)C[C@]21[H] |
|
| MCULE-1428350503 |
0.60 |
C12C(O)OC(=O)C=1CC(O)(C)C1CC(C)(C)CC1C2O |
|
| MCULE-7949052065 |
0.60 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O |
|
| MCULE-4601889192 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)OC(C)=O |
|
| MCULE-6906348244 |
0.60 |
C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O |
|
| MCULE-6388085128 |
0.60 |
CC(C12C(=O)C34OC3CC3C(C)(CCC5C(=O)OCC=53)C34OC3C1O2)C |
|
| MCULE-8736767988 |
0.60 |
O=C1C2CC[C@@]3([C@]45O[C@H]4[C@@H]4O[C@]4(C(C)C)C(=O)[C@]45O[C@H]4C[C@@]3([H])C=2CO1)C |
|
| MCULE-8538526232 |
0.60 |
O(C(C)=O)C12C(C)(C)C1C1C(O)(C(C)C2O)C2C=C(C)C(C2CC(CO)=C1)=O |
|
| MCULE-2373523468 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NO)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1 |
|
| MCULE-8302905584 |
0.60 |
C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3 |
|
| MCULE-4887084385 |
0.60 |
C(CCCOC(=O)C)CCCC=CC=CC |
|
| MCULE-9611860953 |
0.60 |
C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2 |
|
| MolPort-044-637-529 |
0.60 |
COc1cc(C)c2c(OC)c(C)c(=O)oc2c1 |
|
| MCULE-6443674630 |
0.60 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12 |
|
| MolPort-005-981-213 |
0.60 |
CC(C)=CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O |
|
| MCULE-7128824049 |
0.60 |
[C@@H]12O[C@]1(C(C)C)C(=O)[C@]13O[C@]41C[C@@]1(CCC5C(=O)OCC=5[C@]1([H])C4)[C@]13O[C@H]12 |
|
| MolPort-002-155-400 |
0.60 |
COc1cccc(c1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O |
|
| MCULE-3280168913 |
0.60 |
C1C(C(CCC=1C)CC(OCC)=O)O |
|
| MolPort-001-798-742 |
0.60 |
COc1ccc(OC)c(c1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O |
|
| MCULE-9340600776 |
0.60 |
C1C(C(CCC=1C)CC(=O)OCC)=O |
|
| MolPort-002-513-715 |
0.60 |
CCOc1ccc2c(C)cc(=O)oc2c1C(C)=O |
|
| MCULE-5034695517 |
0.60 |
C12(O)CC[C@H](C1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=NO)CCC(C2)OC1CC(O)C(C(C)O1)O)O)C1COC(=O)C=1 |
|
| MolPort-002-207-928 |
0.60 |
CCc1cc(=O)oc2c(C)c(OCC=C)ccc12 |
|
| MCULE-5102934183 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C5COC(=O)C=5)CC[C@]3(C4=O)CC[C@]2([H])C[C@H]1O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1 |
|
| MolPort-002-228-654 |
0.60 |
COc1ccc2c3ccc(OCC(C)=C)c(C)c3oc(=O)c2c1 |
|
| MCULE-2339507429 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O |
|
| MolPort-002-228-254 |
0.60 |
CC(Oc1ccc2c3ccccc3c(=O)oc2c1C)c1ccccc1 |
|
| MCULE-1885429632 |
0.60 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O |
|
| MolPort-002-085-796 |
0.60 |
COc1ccc2cc(C(C)=O)c(=O)oc2c1 |
|
| MCULE-7317277088 |
0.60 |
[C@@]12(OC(=O)C)CO[C@]1([H])C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)[C@@H](OC(=O)C)C[C@@](O)(C3(C)C)C[C@]21[H] |
|
| MolPort-044-637-529 |
0.60 |
COc1cc(C)c2c(OC)c(C)c(=O)oc2c1 |
|
| MCULE-7076095662 |
0.60 |
O=C(C1CCCC1)OCC1CC=CCC1 |
|
| MolPort-000-743-562 |
0.60 |
COc1cc(cc(OC)c1OC)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O |
|
| MCULE-1591807077 |
0.60 |
C1CC(OC(=O)C)CCC=C1 |
|
| MolPort-005-944-676 |
0.60 |
COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C |
|
| MCULE-7811515870 |
0.60 |
O=C(/C=C1/CCCC/1)OCC |
|
| MolPort-023-278-989 |
0.60 |
COc1cc2oc3c(O)ccc(O)c3c(=O)c2c(O)c1CC=C(C)C |
|
| MCULE-9592035402 |
0.60 |
OC1C(O)C=C(CC1O)C(OC)=O |
|
| MolPort-002-200-250 |
0.60 |
CC(C)=CCOc1ccc2c(oc(=O)c3ccccc23)c1C |
|
| MCULE-6561827943 |
0.60 |
C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2 |
|
| MolPort-000-688-997 |
0.60 |
CCCOc1ccc2c(oc(=O)c3ccccc23)c1C |
|
| MCULE-2356589109 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O |
|
| MolPort-003-867-419 |
0.60 |
COc1ccc(\C=C\C(=O)c2c(O)c3ccccc3oc2=O)cc1 |
|
| MCULE-9875985617 |
0.60 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)C2O |
|
| MolPort-002-248-262 |
0.60 |
CCc1c(C)c2ccc(OCC=C(C)C)c(C)c2oc1=O |
|
| MCULE-8485365768 |
0.60 |
C1=CC2C3(OCCO3)C1C1C(OC(=O)C)C=CC12 |
|
| MolPort-002-249-492 |
0.60 |
CCc1c(C)c2ccc(OCC(C)=C)cc2oc1=O |
|
