| MCULE-6190050690 |
1 |
C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
|
|
| MolPort-035-706-191 |
0.89 |
CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
|
|
| MCULE-9448141357 |
0.88 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MolPort-002-800-179 |
0.88 |
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
|
|
| MCULE-2036056204 |
0.86 |
C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
|
|
| MolPort-006-668-579 |
0.86 |
CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
|
|
| MolPort-039-338-130 |
0.85 |
CC(CC(=O)C[C@](C)(O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-035-706-109 |
0.85 |
CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
|
|
| MCULE-3750924928 |
0.85 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
|
|
| MCULE-7932579394 |
0.84 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-2170216646 |
0.84 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
|
|
| MCULE-9381861258 |
0.84 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MolPort-019-937-543 |
0.84 |
CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-039-339-050 |
0.84 |
CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-006-823-887 |
0.83 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-039-338-981 |
0.83 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-039-338-190 |
0.83 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-046-153-787 |
0.83 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-046-594-358 |
0.83 |
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MCULE-6630966108 |
0.83 |
O[C@H]1C[C@H]2C(C)(C)C(CC[C@]2(C)C2C(C[C@]3(C)[C@@H]([C@H](C)CC(C[C@H](C(=O)O)C)=O)CC([C@@]3(C)C=21)=O)=O)=O
|
|
| MCULE-6664715607 |
0.83 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(=O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-3860629045 |
0.82 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-1397397840 |
0.82 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
|
|
| MCULE-3392411245 |
0.82 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-5480996294 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-8494008475 |
0.82 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-1627239407 |
0.82 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
|
|
| MCULE-5532688938 |
0.82 |
C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
|
|
| MCULE-8499932204 |
0.82 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
|
|
| MolPort-046-765-410 |
0.82 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
|
|
| MolPort-019-936-771 |
0.82 |
C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
|
|
| MolPort-039-338-120 |
0.82 |
C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
|
|
| MolPort-008-155-609 |
0.82 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
|
|
| MolPort-019-936-866 |
0.82 |
C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-793-261 |
0.82 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-740-910 |
0.82 |
CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-046-793-262 |
0.82 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-512-788 |
0.82 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
|
|
| MolPort-039-338-128 |
0.82 |
C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-044-723-276 |
0.82 |
C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
|
|
| MolPort-044-723-310 |
0.82 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-003-848-083 |
0.82 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-689-989 |
0.82 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-196-836 |
0.82 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-039-052-422 |
0.82 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-039-009-099 |
0.82 |
CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-039-339-169 |
0.81 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-021-804-689 |
0.81 |
CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-006-111-373 |
0.81 |
CC1=C(C(O)=O)C(C)(C)CCC1
|
|
| MolPort-002-800-680 |
0.81 |
CC(C)(C)C1CCC(=CC1)C(O)=O
|
|
| MCULE-7919759875 |
0.81 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-8472407044 |
0.81 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-4587868817 |
0.81 |
CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
|
|
| MCULE-9857200349 |
0.81 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O
|
|
| MCULE-9150714373 |
0.81 |
C1(C(C)(C)CCCC=1C)C(O)=O
|
|
| MCULE-2797527002 |
0.81 |
C1(C(=O)O)=CCC(CCCCCC)CC1
|
|
| MolPort-046-158-400 |
0.80 |
CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
|
|
| MolPort-046-153-168 |
0.80 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-150 |
0.80 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MCULE-7552770733 |
0.80 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-6242790082 |
0.80 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
|
|
| MCULE-7022735372 |
0.80 |
C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-9742304708 |
0.80 |
C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
|
|
| MCULE-4963816026 |
0.80 |
O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
|
|
| MCULE-2582951504 |
0.80 |
C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
|
|
| MolPort-035-706-111 |
0.80 |
CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
|
|
| MolPort-019-937-542 |
0.80 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-046-790-392 |
0.80 |
C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
| MolPort-039-338-126 |
0.80 |
C[C@H](C[C@H](O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-035-706-267 |
0.80 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-266 |
0.80 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-019-937-489 |
0.80 |
CC12CCCC(C)(C)C1CC=C2C(O)=O
|
|
| MolPort-046-647-049 |
0.80 |
OC(=O)C1=C[C@@H]2CCCC[C@H]12
|
|
| MolPort-019-904-832 |
0.79 |
CC1CCC(=CC1)C(O)=O
|
|
| MolPort-004-801-991 |
0.79 |
CC1(C)CCC=C(C1)C(O)=O
|
|
| MolPort-039-060-935 |
0.79 |
CC1=C(CCC(C)(C)C1)C(O)=O
|
|
| MolPort-001-742-443 |
0.79 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
|
|
| MolPort-001-741-862 |
0.79 |
CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
|
|
| MolPort-039-239-507 |
0.79 |
CC1(C)CCC(=CC1)C(O)=O
|
|
| MCULE-8346653877 |
0.79 |
CC1CC(C)(C)CCC=1C(=O)O
|
|
| MCULE-3161766037 |
0.79 |
C(O)(C1=CCCCCCCCCC1)=O
|
|
| MCULE-3727435032 |
0.79 |
C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-4351701102 |
0.79 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
|
|
| MolPort-046-790-365 |
0.79 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-039-338-123 |
0.79 |
CC(CC(=O)\C=C(\C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-002-525-832 |
0.79 |
CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-052-452 |
0.79 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
|
|
| MolPort-000-733-209 |
0.79 |
CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-006-668-441 |
0.78 |
CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
|
|
| MCULE-7321817046 |
0.78 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-4114109251 |
0.78 |
C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
|
|
| MCULE-4929710192 |
0.78 |
C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
|
|
| MCULE-3560182453 |
0.78 |
C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
|
|
| MCULE-6144873686 |
0.78 |
C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
|
|
| MolPort-035-705-871 |
0.78 |
C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
|
|
| MolPort-046-153-808 |
0.78 |
C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O
|
|
| MolPort-039-338-097 |
0.78 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-039-052-641 |
0.78 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-046-677-790 |
0.78 |
OC(=O)C1=CC2CCCCCCC12
|
|
| MolPort-028-952-171 |
0.78 |
OC(=O)C1=CCCCCC1
|
|
| MolPort-002-524-727 |
0.77 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-534-834 |
0.77 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-042-624-491 |
0.77 |
C[C@]12CC(=O)C3=C([C@@H](O)CC4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O
|
|
| MolPort-046-596-363 |
0.77 |
C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-764-565 |
0.77 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-046-693-069 |
0.77 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-800-539 |
0.77 |
CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
|
|
| MolPort-001-791-998 |
0.77 |
OC(=O)C1=CCCCC1
|
|
| MolPort-002-526-688 |
0.77 |
C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-002-512-678 |
0.77 |
C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-692-950 |
0.77 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-765-461 |
0.77 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
|
|
| MolPort-039-338-302 |
0.77 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
|
|
| MolPort-046-765-469 |
0.77 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
|
|
| MCULE-5791637196 |
0.77 |
C1CCC23CC12C(O)C=CC3=O
|
|
| MCULE-6072665694 |
0.77 |
C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-4241274271 |
0.77 |
C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-2846082692 |
0.77 |
C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
|
|
| MCULE-1505073195 |
0.77 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
|
|
| MolPort-035-706-434 |
0.77 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
|
|
| MolPort-044-561-679 |
0.77 |
C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
|
|
| MolPort-044-183-439 |
0.77 |
C[C@@H](CCC=C(C)C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
|
|
| MolPort-019-937-276 |
0.76 |
CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-035-706-169 |
0.76 |
CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
|
|
| MolPort-006-118-969 |
0.76 |
CC(=C)C1CCC(=CC1)C(O)=O
|
|
| MCULE-5054990207 |
0.76 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
|
|
| MCULE-8197236760 |
0.76 |
CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
|
|
| MCULE-3741444667 |
0.76 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-9848650209 |
0.76 |
O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
|
|
| MCULE-9549608104 |
0.76 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MCULE-4676598997 |
0.76 |
C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
|
|
| MCULE-3135517908 |
0.76 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-6305022030 |
0.76 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
|
|
| MCULE-3390693428 |
0.76 |
C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
|
|
| MCULE-2147959975 |
0.76 |
C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
|
|
| MCULE-4202565953 |
0.76 |
C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
|
|
| MCULE-1412596642 |
0.76 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
|
|
| MCULE-6552675485 |
0.76 |
C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
|
|
| MCULE-2460476091 |
0.76 |
C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
|
|
| MCULE-2236994087 |
0.76 |
C1(CCC(CC=1)C(C)=C)C(O)=O
|
|
| MCULE-2950001631 |
0.76 |
C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
|
|
| MCULE-9549317752 |
0.76 |
C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-1872459490 |
0.76 |
C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
|
|
| MCULE-8466128773 |
0.76 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-5396685230 |
0.76 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
|
|
| MCULE-3979294448 |
0.76 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-1655274985 |
0.76 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
|
|
| MCULE-4167735225 |
0.76 |
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
|
|
| MCULE-6132152847 |
0.76 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
|
|
| MCULE-1821855723 |
0.76 |
C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
|
|
| MCULE-4964860916 |
0.76 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
|
|
| MCULE-4797309594 |
0.76 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
|
|
| MCULE-5643440248 |
0.76 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
|
|
| MCULE-3121556913 |
0.76 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-1963273832 |
0.76 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-9660893096 |
0.76 |
C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-4479203479 |
0.76 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-4728366427 |
0.76 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
|
|
| MCULE-1251158415 |
0.76 |
[C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-4839802180 |
0.76 |
[C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-1387376761 |
0.76 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-8934502311 |
0.76 |
C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
|
|
| MolPort-046-677-788 |
0.76 |
OC(=O)C1=CC2CCCCCC12
|
|
| MolPort-039-052-429 |
0.76 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC\C([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(/C)C(O)=O
|
|
| MolPort-005-944-580 |
0.76 |
CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
|
|
| MolPort-046-677-777 |
0.76 |
OC(=O)C1=CC2CC\C=C/CCC12
|
|
| MolPort-046-693-458 |
0.76 |
CC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-822-587 |
0.76 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-020-005-976 |
0.76 |
C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-068-912 |
0.76 |
CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-067-789 |
0.76 |
CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-020-005-977 |
0.76 |
C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-021-804-511 |
0.76 |
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
|
|
| MolPort-000-728-523 |
0.76 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-046-054-510 |
0.76 |
CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-044-561-113 |
0.76 |
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
|
|
| MolPort-001-741-219 |
0.76 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-741-221 |
0.76 |
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
|
|
| MolPort-039-338-665 |
0.76 |
CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-287 |
0.76 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-508-947 |
0.76 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-008-322-993 |
0.76 |
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-027-853-691 |
0.76 |
CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-933-119 |
0.76 |
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-933-631 |
0.76 |
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-509-038 |
0.76 |
CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-046-596-275 |
0.75 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-690-137 |
0.75 |
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-029-942-945 |
0.75 |
C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
|
|
| MolPort-039-062-015 |
0.75 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-027-835-865 |
0.75 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-027-835-537 |
0.75 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-046-793-264 |
0.75 |
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
|
|
| MolPort-023-220-126 |
0.75 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-019-857-808 |
0.75 |
CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-019-940-199 |
0.75 |
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-690-133 |
0.75 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-008-155-613 |
0.75 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-008-322-980 |
0.75 |
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
|
|
| MolPort-005-938-470 |
0.75 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-000-738-106 |
0.75 |
CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-000-739-076 |
0.75 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-000-772-330 |
0.75 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
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0.75 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
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CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
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|
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CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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| MolPort-002-524-552 |
0.75 |
CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
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| MolPort-002-530-358 |
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
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| MolPort-046-764-826 |
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[2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
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CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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0.75 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
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0.75 |
C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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| MolPort-006-394-855 |
0.75 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
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CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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| MolPort-039-339-047 |
0.75 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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| MolPort-046-153-810 |
0.75 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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| MolPort-046-767-474 |
0.75 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
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0.75 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
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|
| MCULE-2366326470 |
0.75 |
C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
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|
| MCULE-9564533694 |
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OC(=O)/C=C/CCCCCCCCCCCC(=O)O
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|
| MCULE-1261827700 |
0.75 |
OC(=O)/C=C/CCCCCCCCCC(=O)O
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|
| MCULE-7510220469 |
0.75 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
|
|
| MCULE-5765051698 |
0.75 |
C(CCCC=CC(O)=O)CCCCC(O)=O
|
|
| MCULE-7929696567 |
0.75 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
|
|
| MCULE-4046520863 |
0.75 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-1844358842 |
0.75 |
[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
|
|
| MCULE-7255355215 |
0.75 |
OC(CC1=C(C(O)=O)CCCC1)=O
|
|
| MCULE-5202334671 |
0.75 |
C1C(C(=O)O)C(C(=O)O)=C(C)C1
|
|
| MCULE-7110535304 |
0.75 |
C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
|
|
| MCULE-3363997729 |
0.75 |
C1=CC(=O)C(C([H])=C(C(O)CCCCC)[H])C1CC([H])=C(CCCC(=O)O)[H]
|
|
| MCULE-9029872817 |
0.75 |
C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
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|
| MCULE-2519630522 |
0.75 |
C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
|
|
| MCULE-4753796367 |
0.75 |
C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
|
|
| MCULE-5926783574 |
0.75 |
C1C(O)C2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MolPort-001-740-955 |
0.75 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
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|
| MolPort-028-610-143 |
0.75 |
OC(=O)CCCCCC\C=C\C(O)=O
|
|
| MolPort-003-927-207 |
0.75 |
OC(=O)CCCCCCCC\C=C\C(O)=O
|
|
| MolPort-009-018-817 |
0.75 |
OC(=O)CCCCCCCC\C=C/C(O)=O
|
|
| MolPort-035-706-531 |
0.75 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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|
| MolPort-042-675-343 |
0.75 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-044-754-165 |
0.75 |
OC(=O)CCCCCCCCCCC\C=C\C(O)=O
|
|
| MolPort-009-018-291 |
0.75 |
CCCCCC(O)\C=C\[C@@H]1C(CCCCCCCO)C(O)CC1=O
|
|
| MolPort-044-754-166 |
0.75 |
OC(=O)CCCCCCCCC\C=C\C(O)=O
|
|
| MolPort-046-690-013 |
0.75 |
[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@@H](O)C3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
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|
| MolPort-046-764-998 |
0.75 |
C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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|
| MolPort-039-338-127 |
0.75 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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|
| MolPort-046-591-168 |
0.75 |
OC(=O)CC1=C(CCCC1)C(O)=O
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|
| MolPort-001-741-653 |
0.75 |
CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
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0.75 |
CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
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| MolPort-021-804-579 |
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CC(C)(O)C(O)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
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| MolPort-046-766-230 |
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C[C@]12C[C@@H](O)[C@@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@H]1CC[C@@]2(O)C(=O)CO
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|
| MolPort-001-739-246 |
0.75 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
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|
| MolPort-003-941-707 |
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C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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|
| MolPort-003-959-398 |
0.75 |
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
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|
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0.75 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CC(O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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|
| MolPort-046-702-685 |
0.75 |
CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C=CC1=O
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|
| MolPort-006-668-177 |
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C\C(CCC1C(=C)CCC2C1(C)CC(O)CC2(C)C(O)=O)=C/C(O)=O
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|
| MolPort-001-742-388 |
0.75 |
CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
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|
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CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
|
|
| MolPort-005-943-420 |
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CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-046-646-765 |
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OC(=O)C1=CC2CCCC12
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|
| MolPort-042-675-446 |
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(O)CC(O)C12C
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|
| MolPort-046-153-765 |
0.74 |
CC(CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
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COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
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COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
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|
| MolPort-003-800-478 |
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OC(=O)C1=C(C2C3C4CC2C1C34)C(O)=O
|
|
| MolPort-042-675-234 |
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C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
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C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
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C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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| MolPort-001-742-062 |
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CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@H]1C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
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| MolPort-039-052-451 |
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
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C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
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CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
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| MolPort-002-841-841 |
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CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
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| MolPort-002-709-805 |
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-009-014-456 |
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C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
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|
| MCULE-2271099763 |
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C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
|
|
| MCULE-7424984034 |
0.74 |
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-4243027733 |
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C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
|
|
| MCULE-8721851502 |
0.74 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
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|
| MCULE-6477437107 |
0.74 |
C1(CCCC(=O)C=1)C(O)=O
|
|
| MCULE-1153477483 |
0.74 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8877595522 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
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|
| MCULE-8031195256 |
0.74 |
[C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
|
|
| MCULE-6957829896 |
0.74 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
|
|
| MCULE-2700455616 |
0.74 |
C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
|
|
| MCULE-2400907851 |
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-4737898468 |
0.74 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MCULE-9765892541 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-9707443606 |
0.74 |
C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
|
|
| MCULE-1800361961 |
0.74 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-2944100707 |
0.74 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-6290581989 |
0.74 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-2740918613 |
0.74 |
CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
|
|
| MCULE-9871680934 |
0.74 |
C12(C)CC=C(C(=O)O)CCC1C(O)(C(O)(C)C)C(O)C2
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| MolPort-046-790-364 |
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C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
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| MolPort-039-338-983 |
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C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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| MolPort-020-001-490 |
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C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
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CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
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| MolPort-035-686-140 |
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C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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CC(C)(O)C1(O)C(O)CC2(C)CC=C(CCC12)C(O)=O
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CCCCCC(O)\C=C\[C@@H]1C(CCCCCCC(O)=O)C(O)CC1=O
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C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
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CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
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CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
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C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
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C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
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CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
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C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
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C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
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C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
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C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
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CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
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CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
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CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
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C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
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C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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OC(CCCCCCCC(O)=O)\C=C\C(O)=O
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CC1C(CCC(O)=O)C2CCCCC2=CC1=O
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C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
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C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
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CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
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CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
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[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
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[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
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C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
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C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
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C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
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CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
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CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
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CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
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CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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C\C1=C/C(=O)C\C(CO)=C\CC(C)(C)C(=O)C(O)C1
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CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO
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CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
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[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
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C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
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0.73 |
C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
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[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
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C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
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[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
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[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
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C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
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O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
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C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
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C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
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C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
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[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
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C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
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0.73 |
C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
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0.73 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
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C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
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| MCULE-5773428311 |
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C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
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0.73 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
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| MCULE-3946245376 |
0.73 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
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C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
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| MCULE-1990275167 |
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C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
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C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
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| MCULE-1455068472 |
0.73 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
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0.73 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
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0.73 |
C1(=O)C=C(C)CC(O)C(=O)C(C)(C)CC=C(C1)CO
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| MCULE-8204848346 |
0.73 |
C1CC2(C(O)(CO)C(=CC(=O)C2C(C1O)(C)C)C)C
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|
| MCULE-3327848610 |
0.73 |
C1(CC2(C3CCC4(C)C(C(C)(O)C(CC(=C)C(O)(C)C)O)CCC4(O)C3=CC(=O)C2CC1O)C)O
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| MCULE-4786407254 |
0.73 |
C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
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| MCULE-2832089707 |
0.73 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
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| MCULE-3632970812 |
0.73 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
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| MCULE-3531952070 |
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C1CC2(C)C3CCC4(C)C(C(C(=O)/C=C(\C)/C(O)(C)C)C)CCC4C=3CCC2(O)C(C)(C)C1O
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0.73 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
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0.73 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
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| MCULE-7325515313 |
0.73 |
C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
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| MCULE-2665091779 |
0.73 |
C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
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0.73 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
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| MCULE-8925145429 |
0.73 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
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0.73 |
O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
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| MCULE-3556525470 |
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C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
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| MCULE-9151137367 |
0.73 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
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C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
|
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| MCULE-9449984869 |
0.73 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
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CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
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CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1(O)CC3)C(=O)\C=C(/C)C(C)(C)O
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CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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0.73 |
CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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|
| MolPort-046-765-329 |
0.73 |
C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
|
|
| MolPort-002-527-205 |
0.73 |
CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-042-675-448 |
0.73 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
|
|
| MolPort-039-338-083 |
0.73 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-019-994-032 |
0.73 |
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-002-116-770 |
0.73 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-596-273 |
0.73 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-892-478 |
0.73 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
|
|
| MolPort-039-052-523 |
0.72 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
|
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| MolPort-039-338-980 |
0.72 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-006-822-493 |
0.72 |
CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
|
|
| MolPort-004-964-596 |
0.72 |
CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-046-697-317 |
0.72 |
CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
|
|
| MolPort-039-141-884 |
0.72 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
|
|
| MolPort-039-141-882 |
0.72 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
|
|
| MolPort-044-183-250 |
0.72 |
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-785-920 |
0.72 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-023-219-645 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
|
|
| MolPort-035-706-198 |
0.72 |
CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-035-681-549 |
0.72 |
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-945-648 |
0.72 |
CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-039-138-901 |
0.72 |
C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-019-937-181 |
0.72 |
CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
|
|
| MolPort-005-932-301 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MCULE-1661135480 |
0.72 |
C1C[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
|
|
| MCULE-4576776987 |
0.72 |
C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
|
|
| MCULE-4184427131 |
0.72 |
C1C(C)(C)C(O)(/C=C/C(=O)C)C(C)=CC1=O
|
|
| MCULE-7591106214 |
0.72 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-5560129850 |
0.72 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-6199732071 |
0.72 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-1566569432 |
0.72 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
|
|
| MCULE-1785744667 |
0.72 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
|
|
| MCULE-8575606113 |
0.72 |
C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1
|
|
| MCULE-8997971805 |
0.72 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
|
|
| MCULE-9383833777 |
0.72 |
C1(O)CC2(C(O)(CO)C(=CC(C2C(C)(C1)C)=O)C)C
|
|
| MCULE-9127934466 |
0.72 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H](/C(=C/C(C[C@@H](C(=O)O)C)=O)/C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-9921246997 |
0.72 |
O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
|
|
| MCULE-4849477341 |
0.72 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-2022303549 |
0.72 |
C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-7895815151 |
0.72 |
O=C1C=CC(O)C2CC=CC(C21)C(O)=O
|
|
| MolPort-001-739-243 |
0.72 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO
|
|
| MolPort-046-509-036 |
0.72 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-006-069-316 |
0.72 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
|
|
| MolPort-002-511-069 |
0.72 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
|
|
| MolPort-006-391-847 |
0.72 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
|
|
| MolPort-035-924-387 |
0.72 |
CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
|
|
| MolPort-038-386-640 |
0.72 |
CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
|
|
| MolPort-046-766-234 |
0.72 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
|
|
| MolPort-023-313-258 |
0.71 |
CC1(C)CCC=C1C(O)=O
|
|
| MolPort-046-690-024 |
0.71 |
CC[C@@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-005-944-505 |
0.71 |
C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
|
|
| MolPort-044-830-290 |
0.71 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-046-765-463 |
0.71 |
CC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CCC2(O)C#C
|
|
| MolPort-005-945-962 |
0.71 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C(/CO)C(=O)C(O)=O)C(=C)CCC12
|
|
| MolPort-046-689-498 |
0.71 |
C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-003-892-472 |
0.71 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-046-153-152 |
0.71 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-039-338-305 |
0.71 |
C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
|
|
| MolPort-002-512-114 |
0.71 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-002-509-760 |
0.71 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
|
|
| MolPort-046-689-150 |
0.71 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MCULE-7256161983 |
0.71 |
C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O
|
|
| MCULE-6540475820 |
0.71 |
CC1(C(C(O)=O)=CCC1)C
|
|
| MCULE-8387136890 |
0.71 |
C1C[C@@]2([C@@H](C/C=C(\CO)/C(=O)C(=O)O)C(=C)CCC2C(C)(C1)C)C
|
|
| MCULE-2078234899 |
0.71 |
C1(=O)C2[C@](C(C)=C1)([H])C[C@@]1([C@]([H])([C@H](CC1)[C@@H](C)/C=C\C=C(\C)/C)CC=C2CO)C
|
|
| MCULE-1874567277 |
0.71 |
[C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-8193803152 |
0.71 |
CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
|
|
| MCULE-4050021987 |
0.71 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
|
|
| MCULE-6520929159 |
0.71 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-7117901308 |
0.71 |
C1CC2(C)C3C(=O)CC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-8869963478 |
0.71 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-9251734852 |
0.71 |
C1CC2(C)C3C(=O)CC4(C)C5C(C)CC(CC(C)C(=O)O)=C5C(=O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-1323295889 |
0.71 |
C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
|
|
| MCULE-6511007969 |
0.71 |
C12C(O)C(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-3243112791 |
0.71 |
C(/CC(=O)O)=C(\CCCCCCC=C)/C(=O)O
|
|
| MCULE-4187073986 |
0.71 |
CCCCCCCCCC/C(/C(=O)O)=C\CC(=O)O
|
|
| MCULE-1249084285 |
0.71 |
C(/CC(=O)O)=C(\CCCCCCCCC=C)/C(=O)O
|
|
| MCULE-6259433997 |
0.71 |
CCCCCCCC/C(/C(=O)O)=C/CC(=O)O
|
|
| MCULE-6424725551 |
0.71 |
C1C[C@@](C2CC[C@](C)([C@@H]([C@@]2(C)C1)CC/C(/C)=C\CO)O)(C(O)=O)C
|
|
| MCULE-1698252366 |
0.71 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1[C@H](O)CC1(C)C(CC[C@]12O)[C@@](C)(O)[C@@H](O)CCC(C)(C)O
|
|
| MCULE-2618463932 |
0.71 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-7827480563 |
0.71 |
C1=C(C(C(O)C(C(C)C)C1O)=O)CO
|
|
| MCULE-8049371882 |
0.71 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-9246661061 |
0.71 |
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-1005769729 |
0.71 |
C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
|
|
| MCULE-8651982947 |
0.71 |
C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-4914143446 |
0.71 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
|
|
| MCULE-3473010637 |
0.71 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
|
|
| MCULE-6464655857 |
0.71 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MolPort-046-153-144 |
0.71 |
CC(CC1=C2C(C(C)C1)C1(C)CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C2=O)C(O)=O
|
|
| MolPort-039-138-890 |
0.71 |
CCCCC(C)(C)[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
|
|
| MolPort-042-675-201 |
0.71 |
OC(=O)C\C=C(\CCCCCCC=C)C(O)=O
|
|
| MolPort-009-018-304 |
0.71 |
CCCCC[C@@](C)(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-021-804-594 |
0.71 |
CCCCCCCC\C(=C\CC(O)=O)C(O)=O
|
|
| MolPort-021-804-545 |
0.71 |
OC(=O)C\C=C(\CCCCCCCCC=C)C(O)=O
|
|
| MolPort-001-739-964 |
0.71 |
CCCCCCCCCC\C(=C/CC(O)=O)C(O)=O
|
|
| MolPort-009-018-297 |
0.71 |
CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-027-640-829 |
0.71 |
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
|
|
| MolPort-027-640-986 |
0.71 |
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C(=O)CC1=O
|
|
| MolPort-009-018-305 |
0.71 |
CCCCC[C@](C)(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-009-018-292 |
0.71 |
CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-009-018-244 |
0.71 |
CCCCC[C@@H](O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-019-931-806 |
0.71 |
CC1CCC2C(=CC3C(O)C(C)(C)CC123)C(O)=O
|
|
| MolPort-001-740-674 |
0.71 |
C[C@@]12CC[C@H](C[C@H]1[C@H](CCC1(O)[C@@H]3C[C@@H](CC[C@@]3(C)C=CC1=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O
|
|
| MolPort-001-742-271 |
0.71 |
C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
|
|
| MolPort-019-937-255 |
0.71 |
CC(C)C1C(O)C=C(CO)C(=O)C1O
|
|
| MolPort-039-338-121 |
0.71 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(O)=O
|
|
| MolPort-002-526-405 |
0.71 |
CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3[C@H](O)C[C@]12C
|
|
| MolPort-039-141-776 |
0.71 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-039-141-359 |
0.71 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-039-338-852 |
0.71 |
COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C
|
|
| MolPort-000-732-301 |
0.71 |
CC(C)(O)CC[C@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3[C@H](O)CC12C
|
|
| MolPort-035-706-203 |
0.71 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
|
|
| MolPort-046-688-079 |
0.71 |
CC(C1CC=C(C)C(=O)C1)C(O)=O
|
|
| MolPort-038-934-350 |
0.71 |
[Na+].[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C([O-])=O
|
|
| MolPort-028-610-103 |
0.71 |
C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
|
|
| MolPort-035-785-432 |
0.71 |
[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C(O)=O
|
|
| MolPort-046-687-422 |
0.70 |
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)[C@@](C)(O)C=C1
|
|
| MolPort-027-640-985 |
0.70 |
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)C(=O)CC1=O
|
|
| MolPort-046-697-152 |
0.70 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
|
|
| MolPort-038-385-990 |
0.70 |
CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(O)=O
|
|
| MolPort-039-338-287 |
0.70 |
C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-046-697-151 |
0.70 |
CC1(C)CC2C=C(C(CC(O)=O)C2(C1)C(=O)CO)C(O)=O
|
|
| MolPort-039-338-122 |
0.70 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O
|
|
| MolPort-035-706-269 |
0.70 |
C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
|
|
| MolPort-003-664-396 |
0.70 |
CC1=C(O)C(=O)CC(C)(C)C1
|
|
| MolPort-039-338-838 |
0.70 |
C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-001-742-758 |
0.70 |
CC1(C)CCCC2(C1CC(=O)C1=CC(C)(CCC21O)C=C)C(O)=O
|
|
| MolPort-046-596-401 |
0.70 |
C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
|
|
| MolPort-001-741-051 |
0.70 |
C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O
|
|
| MolPort-039-338-313 |
0.70 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(CO)=C3)C(O)=O
|
|
| MolPort-002-526-836 |
0.70 |
C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
|
|
| MolPort-002-911-151 |
0.70 |
C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
|
|
| MCULE-8026671401 |
0.70 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CC(C[C@H](C(=O)O)C)=O)C)C[C@@H]3O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-5037820521 |
0.70 |
C1C(CC2(O)C=C(C3C21C(C)CC3)C(=O)O)(C)C
|
|
| MCULE-2255462467 |
0.70 |
C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
|
|
| MCULE-8228429125 |
0.70 |
C1C2(C(C=C(C(=O)O)C2CC(O)=O)CC1(C)C)C(=O)CO
|
|
| MCULE-6557448423 |
0.70 |
C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
|
|
| MCULE-3401105479 |
0.70 |
C1CC2(C(=O)O)C3(O)CCC(C)(C=C)C=C3C(=O)CC2C(C)(C)C1
|
|
| MCULE-5683974067 |
0.70 |
C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
|
|
| MCULE-8464537126 |
0.70 |
CC12C(O)CCCC1=CC(=O)CC2
|
|
| MCULE-5797410500 |
0.70 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-8297407788 |
0.70 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
|
|
| MCULE-3516804753 |
0.70 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-9780635677 |
0.70 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
|
|
| MCULE-4121463357 |
0.70 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
|
|
| MCULE-2390783905 |
0.70 |
[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
|
|
| MCULE-4026689667 |
0.70 |
C1C(C)(C)C(O)(/C=C/C(O)C)C(C)=CC1=O
|
|
| MolPort-046-689-959 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
|
|
| MolPort-046-761-519 |
0.70 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-761-514 |
0.70 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-046-765-264 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
|
|
| MolPort-006-394-318 |
0.70 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-112-202 |
0.70 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-027-720-808 |
0.70 |
CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-044-561-334 |
0.70 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-046-689-970 |
0.70 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-525-628 |
0.70 |
CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
|
|
| MolPort-046-690-063 |
0.70 |
[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-004-786-162 |
0.70 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-046-683-739 |
0.70 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
|
|
| MolPort-046-792-935 |
0.70 |
CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
|
|
| MolPort-006-113-734 |
0.70 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-002-513-837 |
0.70 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
|
|
| MolPort-035-706-299 |
0.70 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
|
|
| MolPort-023-299-005 |
0.70 |
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
|
|
| MolPort-023-298-994 |
0.70 |
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-039-338-477 |
0.70 |
CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
|
|
| MolPort-004-786-165 |
0.70 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-039-338-393 |
0.70 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
|
|
| MolPort-001-740-423 |
0.70 |
CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-003-804-175 |
0.70 |
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-039-338-963 |
0.70 |
C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-035-706-271 |
0.70 |
C[C@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-039-052-673 |
0.70 |
C[C@@H](O)\C=C\[C@H]1C(CO)=CC(=O)CC1(C)C
|
|
| MolPort-046-153-163 |
0.69 |
CC12CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-046-793-115 |
0.69 |
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3C(O)(O)C[C@]12C
|
|
| MolPort-022-365-293 |
0.69 |
CC1CCC(=C1)C(O)=O
|
|
| MolPort-000-480-394 |
0.69 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-002-526-521 |
0.69 |
C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-002-841-842 |
0.69 |
CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
|
|
| MolPort-046-153-151 |
0.69 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-027-847-264 |
0.69 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
|
|
| MolPort-003-958-619 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-003-940-126 |
0.69 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-153-129 |
0.69 |
CC1CCC2(C)C(CCC=C2C)C1(C)C\C=C(\CC(O)=O)C=O
|
|
| MolPort-002-507-121 |
0.69 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-002-510-335 |
0.69 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
|
|
| MolPort-006-069-321 |
0.69 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-765-405 |
0.69 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
|
|
| MolPort-002-519-758 |
0.69 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
|
|
| MolPort-001-742-437 |
0.69 |
CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O
|
|
| MolPort-035-705-838 |
0.69 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
|
|
| MolPort-035-705-880 |
0.69 |
CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
|
|
| MolPort-044-755-231 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
|
|
| MCULE-4330723603 |
0.69 |
[C@H]1(O)C[C@@]2([C@@]3([H])[C@H](O)C[C@@]4([C@@](CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)([H])[C@](O)(C)[C@H](O)C[C@H](O)C(C)C)C)C
|
|
| MCULE-3655330509 |
0.69 |
OC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-8807729080 |
0.69 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
|
|
| MCULE-7010605333 |
0.69 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)C)CC3)C[C@@H]2C
|
|
| MCULE-5701652206 |
0.69 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MCULE-2506206785 |
0.69 |
[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-4586192863 |
0.69 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
|
|
| MCULE-7472546811 |
0.69 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
|
|
| MCULE-3069989292 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-6482685801 |
0.69 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-4690967590 |
0.69 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
|
|
| MCULE-4823405948 |
0.69 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
|
|
| MCULE-7329243914 |
0.69 |
C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C
|
|
| MCULE-2011201542 |
0.69 |
[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
|
|
| MCULE-3773650223 |
0.69 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-1691349217 |
0.69 |
O=C1CC2CCC1(OC)C=C2
|
|
| MCULE-3828542428 |
0.69 |
C1C(O)C(O)(CCO)C=CC1=O
|
|
| MCULE-1100298898 |
0.69 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]([C@@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)O
|
|
| MCULE-2793674012 |
0.69 |
CC(C1C2(C)C(O)C(C3C4(C)CCC(O)C(C)(C)C4CC(=O)C=3C2(C)C(=O)C1)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-2546809155 |
0.69 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
|
|
| MCULE-5225374056 |
0.69 |
CC(C(CC1C2C=CC(CC2)C1)=O)O
|
|
| MCULE-4949013565 |
0.69 |
C(C1(C2=CCCCC2)CCCCC1)(O)=O
|
|
| MCULE-2582517969 |
0.69 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
|
|
| MCULE-9853941800 |
0.69 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
|
|
| MCULE-4822409054 |
0.69 |
C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-2445362476 |
0.69 |
C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
|
|
| MCULE-8463642691 |
0.69 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8646276663 |
0.69 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-6501593178 |
0.69 |
C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
|
|
| MCULE-8953627920 |
0.69 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-7299298141 |
0.69 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-4398945581 |
0.69 |
C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-2791131855 |
0.69 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-9248944569 |
0.69 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
|
|
| MCULE-5362337107 |
0.69 |
C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2=CC1O)O
|
|
| MCULE-5186769141 |
0.69 |
C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-3935898183 |
0.69 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-7720595428 |
0.69 |
C1[C@@]2(O)C=C[C@]3([C@]4([H])[C@@]5(C[C@]5([H])C(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC[C@@H]1O)[H])[H]
|
|
| MolPort-006-117-087 |
0.69 |
CC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-153-094 |
0.69 |
OCCC1(O)C=CC(=O)CC1O
|
|
| MolPort-039-338-791 |
0.69 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-046-158-534 |
0.69 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-836 |
0.69 |
C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-002-524-485 |
0.69 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-706-317 |
0.69 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
|
|
| MolPort-039-338-445 |
0.69 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
|
|
| MolPort-046-765-905 |
0.69 |
OC(=O)CCCCCCC\C=C/CC=O
|
|
| MolPort-023-220-689 |
0.69 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-046-763-158 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1CC2CC(C2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-138-852 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-039-138-851 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-035-706-224 |
0.69 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
|
|
| MolPort-039-139-158 |
0.69 |
CCCCC[C@@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
|
|
| MolPort-046-594-326 |
0.69 |
CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
|
|
| MolPort-028-754-125 |
0.69 |
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
|
|
| MolPort-046-158-502 |
0.69 |
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
|
|
| MolPort-027-640-987 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-046-153-751 |
0.69 |
CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-003-959-213 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
|
|
| MolPort-006-113-487 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-019-949-553 |
0.69 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-006-131-902 |
0.69 |
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-005-944-289 |
0.69 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
|
|
| MolPort-006-393-332 |
0.69 |
[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
|
|
| MolPort-023-330-852 |
0.69 |
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O
|
|
| MolPort-005-934-304 |
0.69 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-007-980-854 |
0.69 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-683-789 |
0.69 |
[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-046-596-366 |
0.69 |
CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-023-279-448 |
0.69 |
C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-176-715 |
0.69 |
CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-196-704 |
0.69 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
|
|
| MolPort-044-559-994 |
0.69 |
C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-529-087 |
0.69 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-765-476 |
0.69 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-046-766-226 |
0.69 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
|
|
| MolPort-002-157-619 |
0.69 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-001-740-973 |
0.69 |
C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
|
|
| MolPort-046-764-570 |
0.69 |
C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-001-794-637 |
0.69 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-196-703 |
0.69 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
|
|
| MolPort-003-657-348 |
0.69 |
CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
|
|
| MolPort-002-510-100 |
0.69 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-932-776 |
0.69 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-000-713-768 |
0.69 |
CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-765-400 |
0.68 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34C(O)=O)[C@H]1CCC2=O
|
|
| MolPort-006-394-788 |
0.68 |
[2H]C([2H])([2H])[C@@H](CCCC)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
|
|
| MolPort-039-338-377 |
0.68 |
CC1=C(C(O)=O)C(C)(C)C[C@H](O)C1
|
|
| MolPort-001-740-023 |
0.68 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@](O)(C[C@]12C)C(C)=C
|
|
| MolPort-006-823-932 |
0.68 |
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
|
|
| MolPort-046-689-207 |
0.68 |
[Na+].C[C@@H]1C(O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(O)C[C@H]2\C([C@@H](O)C[C@]12C)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-028-610-018 |
0.68 |
CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
|
|
| MolPort-035-705-808 |
0.68 |
CC(C)C1=CC(=O)[C@](C)(O)[C@@H]2[C@@H]3C=C(C(C)C)[C@H]([C@H]12)C(=O)[C@]3(C)O
|
|
| MolPort-035-706-406 |
0.68 |
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
|
|
| MCULE-1658645050 |
0.68 |
C1CC2=CC([C@](O)(C[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)=O
|
|
| MCULE-2084098314 |
0.68 |
O=C(/C=C/CCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](C[C@H](CCCC)C)O)O
|
|
| MCULE-5208181398 |
0.68 |
C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
|
|
| MCULE-6095158575 |
0.68 |
C1=C(C(C)C)[C@@]2([H])[C@H]3C(C(C)C)=C[C@H]([C@@](C)(O)C3=O)[C@@]2([H])[C@@](C)(O)C1=O
|
|
| MCULE-2644546310 |
0.68 |
C1CC2(C(O)(C(O)=O)C(=CC(O)C2C(C1)(C)C)CO)C
|
|
| MCULE-4690400847 |
0.68 |
C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
|
|
| MCULE-8327830017 |
0.68 |
C1CC2(C)C3CCC4=C(C(CC(O)C(O)C(O)(C)C)C)C(O)CC4(C)C3(C)CCC2C(C)(C)C1=O
|
|
| MCULE-2196052177 |
0.68 |
[K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MCULE-1479199763 |
0.68 |
C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
|
|
| MCULE-2458381576 |
0.68 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1
|
|
| MCULE-6821384626 |
0.68 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
|
|
| MCULE-1010776591 |
0.68 |
C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
|
|
| MCULE-8041079323 |
0.68 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
|
|
| MCULE-5305214615 |
0.68 |
CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)=O
|
|
| MCULE-1916767135 |
0.68 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-3626705589 |
0.68 |
C1(CCC(CC=1)CN)C(O)=O
|
|
| MCULE-1390580548 |
0.68 |
C1C[C@@]2(C)C(CC[C@@H]2O)=C(C1=O)C(O)=O
|
|
| MolPort-039-339-172 |
0.68 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-028-610-215 |
0.68 |
CC(CC(O)C(O)C(C)(C)O)C1=C2CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1O
|
|
| MolPort-003-983-803 |
0.68 |
[K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
|
|
| MolPort-001-816-138 |
0.68 |
OC(=O)C1CC2CC=CC(C1)C2=O
|
|
| MolPort-046-761-814 |
0.68 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
|
|
| MolPort-044-649-596 |
0.68 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-001-739-597 |
0.68 |
CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
|
|
| MolPort-035-706-309 |
0.68 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
|
|
| MolPort-039-338-129 |
0.68 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-004-769-219 |
0.68 |
NCC1CCC(=CC1)C(O)=O
|
|
| MolPort-046-765-406 |
0.68 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)C(O)=O
|
|
| MolPort-006-069-086 |
0.68 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-035-706-537 |
0.67 |
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
|
|
| MolPort-039-338-325 |
0.67 |
C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
|
|
| MolPort-005-945-090 |
0.67 |
C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\CO
|
|
| MolPort-046-594-431 |
0.67 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
|
|
| MolPort-046-202-887 |
0.67 |
CCC1(C)CC(=C1)C(O)=O
|
|
| MolPort-039-338-737 |
0.67 |
CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
|
|
| MolPort-006-069-138 |
0.67 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
|
|
| MolPort-035-706-538 |
0.67 |
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-038-386-024 |
0.67 |
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
| MolPort-039-052-462 |
0.67 |
C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO
|
|
| MolPort-046-141-505 |
0.67 |
OC(=O)C1CC2CC=CC(C2)C1
|
|
| MolPort-028-754-126 |
0.67 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-006-069-379 |
0.67 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-038-386-525 |
0.67 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
|
|
| MolPort-038-941-702 |
0.67 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
|
|
| MolPort-039-052-505 |
0.67 |
C\C(CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C)=C/C(O)=O
|
|
| MolPort-016-633-333 |
0.67 |
CC1(C)C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-003-895-951 |
0.67 |
CC1=C(CCC1)C(O)=O
|
|
| MolPort-016-633-342 |
0.67 |
C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-035-668-919 |
0.67 |
CC1=C2CCC3C4C[C@@H](C#C)C(O)C4(C)CCC3C2CCC1=O
|
|
| MolPort-023-332-906 |
0.67 |
CCCCCC1CC(O)=CC(=O)C1
|
|
| MolPort-006-111-863 |
0.67 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)C[C@H](O)[C@H]21
|
|
| MolPort-044-755-255 |
0.67 |
CC(=O)[C@]1(C)[C@H](O)CC2=C1CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]12C
|
|
| MolPort-001-740-480 |
0.67 |
COC(=O)\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-001-742-389 |
0.67 |
C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-007-980-824 |
0.67 |
CCC12CCC3C(CCC4=CC(=O)CCC34)C1C[C@@H](C#C)C2O
|
|
| MolPort-027-853-563 |
0.67 |
CC(C)[C@H]1CCC(CO)=C[C@@H]1\C=C(/CO)C(O)=O
|
|
| MolPort-001-742-733 |
0.67 |
CCCCCCCC(O)\C=C/C(O)CCC(O)CCCC(O)=O
|
|
| MolPort-007-980-886 |
0.67 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-001-960-400 |
0.67 |
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
|
|
| MolPort-001-960-404 |
0.67 |
COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
|
|
| MolPort-039-052-723 |
0.67 |
C[C@H](CC\C=C(/CO)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
|
|
| MolPort-046-596-331 |
0.67 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C2C1
|
|
| MolPort-002-525-704 |
0.67 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-002-527-360 |
0.67 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-039-338-234 |
0.67 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
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|
| MolPort-039-338-293 |
0.67 |
C[C@H](CC\C=C(/CO)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
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| MolPort-046-589-843 |
0.67 |
COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
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| MolPort-039-338-301 |
0.67 |
CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO
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|
| MolPort-039-052-627 |
0.67 |
CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
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|
| MolPort-002-515-602 |
0.67 |
CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O
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|
| MolPort-005-945-241 |
0.67 |
COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
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|
| MolPort-046-764-456 |
0.67 |
CC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
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| MolPort-023-274-345 |
0.67 |
CCC1=C(C)C(=O)C(C)CC11C(CCC1=O)C(O)=O
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0.67 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
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|
| MolPort-039-009-249 |
0.67 |
CC1(C)CC(O)=CC(=O)C11CCC(=O)C=C1
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|
| MCULE-5685325143 |
0.67 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
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|
| MCULE-7117172040 |
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C1CCCCCCCCC(C(OC)=O)=C1
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0.67 |
C1(C=O)[C@]2([H])C(=O)[C@@H](O)[C@@H](C)[C@@]2([H])C[C@]2(C)CCC(C(C)CO)=C2CC=1
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|
| MCULE-9310117393 |
0.67 |
C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
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|
| MCULE-5335097568 |
0.67 |
C(O)(=O)C=CCCCCCC(C)=O
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|
| MCULE-6100987483 |
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C(=C/CCC(CCO)C)(\C(=O)O)/C
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|
| MCULE-6301076627 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
|
|
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0.67 |
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
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|
| MCULE-3331110138 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
|
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0.67 |
C12C(O)[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
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|
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0.67 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
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|
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0.67 |
CC(C(O)=O)CC1C2C=CC(CC2)C1
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| MCULE-7712069033 |
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C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
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|
| MCULE-3216123627 |
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C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
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0.67 |
C12C(CCC(=O)C=1)CC(C(O)=O)C2
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0.67 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
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|
| MCULE-2810354958 |
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C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
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CC(C(CC1CC=CCC1)=O)(O)C
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[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
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0.67 |
C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
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|
| MCULE-4434409577 |
0.67 |
CC(C1CC(=CC(O)=O)C(=O)CC1)C
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| MCULE-7286438796 |
0.67 |
CC1(C(=O)C(=CC(O)=O)CCC1)C
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0.67 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
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| MCULE-1283574747 |
0.67 |
C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
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| MCULE-1085165933 |
0.67 |
[C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
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C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
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0.67 |
CCCC1CC(=CC(O)=O)C(=O)CC1
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| MCULE-4166872703 |
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CC1CCCC=1C(O)=O
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OC(C=CC(C1C2CCC(CC2)C1)=O)=O
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C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
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| MCULE-1109890298 |
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CCC1CC(=CC(O)=O)C(=O)CC1
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C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
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| MCULE-1410261429 |
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CC(C1CC(=CC(O)=O)C(=O)CC1)(C)C
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| MCULE-3617164163 |
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CC1(CC(=CC(O)=O)C(=O)CC1)C
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|
| MCULE-5113003290 |
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OC(C1CC2CC(CC=C2)C1)=O
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C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
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CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
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CC1CC(=O)C(=CC(O)=O)C(C)C1
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C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
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C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
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0.67 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
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CC1CC(=CC(O)=O)C(=O)CC1
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C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
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0.67 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
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CCCCCCCC(O)/C=C\C(CCC(O)CCCC(=O)O)O
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[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
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C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
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|
| MCULE-9942267030 |
0.67 |
C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
|
|
| MCULE-5230788025 |
0.67 |
C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
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|
| MCULE-5903352413 |
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CCCCCC1CC(=CC(=O)C1)O
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[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO)O
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C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
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|
| MCULE-1927684059 |
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C1C(=C[C@H](/C=C(\CO)/C(O)=O)[C@@H](C(C)C)C1)CO
|
|
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C1C[C@@]2(C)C(CCC(=C)[C@@H]2CC/C(=C/C(OC)=O)/C)[C@](C(O)=O)(C)C1
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C12(C)CCC3C(CCC4=C(C(=O)CCC43)C)C1CC(C#C)C2O
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| MCULE-2776644728 |
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C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C[C@@H](C#C)C2O
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|
| MCULE-2278067941 |
0.67 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)=O)C
|
|
| MCULE-8236621147 |
0.67 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-2237684707 |
0.67 |
C12(CC(C(=O)C(C)=C1CC)C)C(=O)CCC2C(O)=O
|
|
| MCULE-3192846064 |
0.67 |
C12(C=CC(=O)CC1)C(=O)C=C(O)CC2(C)C
|
|
| MCULE-9071849084 |
0.67 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
|
|
| MCULE-8008111833 |
0.67 |
[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-8155210029 |
0.67 |
C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
|
|
| MCULE-9024219601 |
0.67 |
C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
|
|
| MCULE-8259872102 |
0.67 |
C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-4778256781 |
0.67 |
C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
|
|
| MCULE-2907287296 |
0.67 |
C1C(CC2C1(C(C(C(=O)O)=C2)CC(O)=O)C(=O)C)(C)C
|
|
| MCULE-9301209033 |
0.67 |
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-6086039312 |
0.67 |
O=C1C2(O)C(C)(CCC(O)C2)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2=C1)[H]
|
|
| MCULE-3559356203 |
0.67 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-9530340790 |
0.67 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C
|
|
| MolPort-038-386-610 |
0.67 |
C\C(CO)=C/CCC(CO)C1CCC2(C)C3CCC(C(=C)CO)C4(CCC(O)=O)CC34CCC12C
|
|
| MolPort-028-750-959 |
0.67 |
OCCCCCCCC=CC(O)=O
|
|
| MolPort-002-510-419 |
0.67 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-002-526-056 |
0.67 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
|
|
| MolPort-039-338-087 |
0.67 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-762-154 |
0.67 |
CC(=O)CCCCC\C=C\C(O)=O
|
|
| MolPort-004-956-486 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-042-675-485 |
0.67 |
OC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-038-947-905 |
0.67 |
Cl.NCC1CCC(=CC1)C(O)=O
|
|
| MolPort-027-853-550 |
0.67 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@H](CCC2=O)C1O
|
|
| MolPort-002-510-704 |
0.67 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
|
|
| MolPort-002-800-183 |
0.67 |
CCOC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-001-742-387 |
0.67 |
CC1(C)CC2C1[C@@H](O)CC(=CCCC2=C)C(O)=O
|
|
| MolPort-044-637-547 |
0.67 |
COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
|
|
| MolPort-002-800-312 |
0.67 |
COC(=O)C1=C(C2CCC1CC2)C(=O)OC
|
|
| MolPort-003-848-014 |
0.67 |
[2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-020-005-730 |
0.67 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
|
|
| MolPort-000-831-717 |
0.67 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-044-755-246 |
0.67 |
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-804-323 |
0.67 |
OCCCCCCC\C=C\C(O)=O
|
|
| MolPort-000-726-918 |
0.67 |
C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-002-911-143 |
0.67 |
C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-046-153-095 |
0.67 |
CC(CCO)CC\C=C(/C)C(O)=O
|
|
| MolPort-019-936-761 |
0.67 |
CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C
|
|
| MolPort-028-610-172 |
0.67 |
CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
|
|
| MolPort-039-052-714 |
0.67 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
|
|
| MolPort-039-338-258 |
0.67 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@@H](O)C4(C)C
|
|
| MolPort-002-510-183 |
0.67 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
|
|
| MolPort-035-706-339 |
0.67 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-002-116-843 |
0.67 |
CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
|
|
| MolPort-030-084-563 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
|
|
| MolPort-046-596-344 |
0.67 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
|
|
| MolPort-046-693-184 |
0.67 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-046-697-216 |
0.67 |
CC(=O)C12CC(C)(C)CC1C=C(C2CC(O)=O)C(O)=O
|
|
| MolPort-002-506-984 |
0.67 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-002-521-548 |
0.67 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-006-069-150 |
0.67 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-196-430 |
0.66 |
OC(=O)C1=CC2CCC1C=C2
|
|
| MolPort-046-153-167 |
0.66 |
CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
|
|
| MolPort-046-766-237 |
0.66 |
C[C@H]1C[C@@H]2C3=C([C@@H](O)C[C@]2(C)C1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1CC3
|
|
| MolPort-046-158-440 |
0.66 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
|
|
| MolPort-039-338-839 |
0.66 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-790-470 |
0.66 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
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|
| MolPort-046-158-402 |
0.66 |
CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
|
|
| MolPort-046-693-183 |
0.66 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)=O
|
|
| MolPort-039-338-124 |
0.66 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
|
|
| MolPort-005-943-996 |
0.66 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
|
|
| MolPort-039-338-961 |
0.66 |
C[C@H](CC(O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
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|
| MolPort-044-649-708 |
0.66 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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| MolPort-044-723-226 |
0.66 |
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CC\C(C)=C\C(O)=O
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0.66 |
CC12CCCC(C)(C1CCC(=C)C2CC\C(CO)=C/CO)C(O)=O
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| MolPort-044-727-594 |
0.66 |
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
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|
| MolPort-039-338-736 |
0.66 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
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|
| MolPort-044-637-537 |
0.66 |
CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
|
|
| MolPort-044-637-536 |
0.66 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
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|
| MolPort-039-138-850 |
0.66 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-044-637-461 |
0.66 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
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|
| MolPort-044-723-335 |
0.66 |
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
|
|
| MolPort-039-338-149 |
0.66 |
C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
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|
| MolPort-039-138-854 |
0.66 |
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-001-781-972 |
0.66 |
CC12CCC(=O)C=C1CCCC2=O
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|
| MolPort-002-054-253 |
0.66 |
CC1=C2CCCC(=O)[C@@]2(C)CCC1=O
|
|
| MolPort-039-339-207 |
0.66 |
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-046-153-799 |
0.66 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-016-584-574 |
0.66 |
CCCC12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-001-767-705 |
0.66 |
C[C@]12CCC(=O)C=C1CCCC2=O
|
|
| MCULE-2031126090 |
0.66 |
C1CC2(C)C3=CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-4758818217 |
0.66 |
O=C1C=CC(C2C(C=CCC21)C(O)=O)=O
|
|
| MCULE-8942246758 |
0.66 |
C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
|
|
| MCULE-6355846723 |
0.66 |
C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
|
|
| MCULE-1494936871 |
0.66 |
OC(C=C1C(=O)CCC(C2CCC2)C1)=O
|
|
| MCULE-6354515204 |
0.66 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
|
|
| MCULE-6649773698 |
0.66 |
C1CC2(C(CCC(C2CC/C(=C\CO)/CO)=C)C(C(O)=O)(C)C1)C
|
|
| MCULE-6158471262 |
0.66 |
OC(C=C1C(=O)CCC2(CCCC2)C1)=O
|
|
| MCULE-5394370706 |
0.66 |
C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
|
|
| MCULE-2261620363 |
0.66 |
OC(C=CC(C1C2CC(CC2)C1)=O)=O
|
|
| MCULE-9024921933 |
0.66 |
OC(C(CC1C2C=CC(CC2)C1)=O)=O
|
|
| MCULE-4596748719 |
0.66 |
C12(CCC)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-2454891288 |
0.66 |
C12(C)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-6548574191 |
0.66 |
OC(C=C1C(=O)CCC2(CC2)C1)=O
|
|
| MCULE-1763238130 |
0.66 |
OC(C=C1C(=O)C2(CCCC2)CCC1)=O
|
|
| MCULE-6190365385 |
0.66 |
C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
|
|
| MCULE-3803033906 |
0.66 |
[C@]12(C)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-4320729921 |
0.66 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-6114329924 |
0.66 |
[C@H]1(O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-1720720428 |
0.66 |
C([C@]12CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])C=C[C@@]2(O)C#C)C
|
|
| MCULE-7325702279 |
0.66 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(CC)[C@@](C#C)(O)C=C[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-3835812075 |
0.66 |
C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C=CC2(O)C#C
|
|
| MCULE-1782460700 |
0.66 |
CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
|
|
| MCULE-8386752633 |
0.66 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-8239765173 |
0.66 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-4432967237 |
0.66 |
BrC1=C(C(O)=O)CCCC1
|
|
| MCULE-3987885076 |
0.66 |
C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-6686022329 |
0.66 |
C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
|
|
| MCULE-6566332427 |
0.66 |
C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MolPort-002-799-485 |
0.66 |
CC1(C)CCC[C@]2(C)[C@H](O)C=CC[C@@H]12
|
|
| MolPort-039-338-303 |
0.66 |
C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
|
|
| MolPort-039-052-643 |
0.66 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-002-513-390 |
0.66 |
CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=CC2(O)C#C
|
|
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0.66 |
[2H]C1=C2C([2H])([2H])C[C@H]3C4C=C[C@@](O)(C#C)[C@@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)C1C=C[C@@]2(O)C#C
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CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1C=CC2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
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COC(=O)C1=CCCCCC1
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OC(=O)C1=C(Br)CCCC1
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COC(=O)C1=CC2CCC3C(CCC12)C=C3C(=O)OC
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CC(=O)[C@@]1(O)CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CCCCC[C@@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
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C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
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CCCCC(C)(C)C(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
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CC(=O)C1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(CO)C[C@]34C)[C@@H]1CC[C@@]2(O)C#C
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)CO
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CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
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CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
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CCCCCC(=O)\C=C\C(O)=O
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C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
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O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
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[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
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C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
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C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
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[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
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C/C(=C/CC/C(/C(O)=O)=C\CC/C(/C)=C/CC/C(/CO)=C/CO)/C
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O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
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OC1(C(CC2CC=CCC2)=O)CCCC1
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C(C)CCCC(O)/C=C/C(=O)O
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OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
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CC=CC(C1(CCCCC1)O)=O
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C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
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C12(O)C(O)C(C)(C)CC31C(C)CCC3C(C(=O)O)=C2
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[C@]12(O)CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
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C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
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C12C/C(=C(/C)\C)/C(=O)C=C(C)C1(O)CCC2(C)O
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[C@]12(C)CC[C@H](O)C(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C#N
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0.65 |
C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
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| MCULE-3153400458 |
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C1CC(C(=O)OC)=CCC1
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C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
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[C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
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0.65 |
C12(C)C(=O)C=C(O)C(CC1)C2(C)C
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| MCULE-8173878510 |
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C12(C)C(O)C(=CCC(O)=O)C(CC1)C2(C)C
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| MCULE-2451101251 |
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C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
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|
| MCULE-5277306782 |
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O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
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C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
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| MCULE-9968407696 |
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OC(C=C1C(=O)C2(CCCCC2)CC1)=O
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| MCULE-6541953240 |
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C1CCC(C(C)(C(O)=O)C)=CCCC1
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[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
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OC(CC1CCCCC=1)=O
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| MCULE-8045534685 |
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C(O)(C(CC)C1CCCCC=1)=O
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C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
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| MCULE-1547137893 |
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C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
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| MCULE-7488890401 |
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C1(CCCC=1C(O)=O)C(O)=O
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[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
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| MCULE-2538866374 |
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C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
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| MCULE-2615091969 |
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O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
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| MCULE-3629918410 |
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O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
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| MCULE-6728895797 |
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C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
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|
| MCULE-3619310950 |
0.65 |
[C@]12(C=O)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
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0.65 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-4269813571 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
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| MCULE-7829183730 |
0.65 |
O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-2847349308 |
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[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
|
|
| MCULE-9679772381 |
0.65 |
OC(C(=CC1CCCCC1)C)=O
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|
| MCULE-2326280646 |
0.65 |
C(O)(=O)C(CCC)=CCC(C)C
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|
| MCULE-9945451158 |
0.65 |
[C@]12(C)C=CC(C[C@]1(C)CCC1C2CC[C@]2(C1CC[C@@H]2O)C)(C)O
|
|
| MCULE-8296595045 |
0.65 |
CC(CC1CCCCC1)=C(C(O)=O)C
|
|
| MCULE-8984962328 |
0.65 |
[H]C12CC(O)C=CC1(C)C1CCC3(C)CCCC3C1CC2
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|
| MCULE-7016066089 |
0.65 |
C12C3C4C5C1C(C(OC)=O)=C(C(OC)=O)C5C2C4CC3
|
|
| MCULE-8544656876 |
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C12CC(CC=C(C1)C1CCC3(C)C(/C(/C)=C/C(O)C(C)O)CCC3C1=CC2=O)O
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C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(O)=O
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| MolPort-044-637-540 |
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CC1CCC2C(=CC3(O)C(O)C(C)(C)CC123)C(O)=O
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CC(C)=C1CC2C(C)(O)CCC2(O)C(C)=CC1=O
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CC(C)=C1C[C@@H]2[C@@](C)(O)CC[C@]2(O)C(C)=CC1=O
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C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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COC(=O)C1=CCCCC1
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C[C@H](CC(O)C(O)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(O)C(O)=O
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C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C#N
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CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C
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CC1(C)CCC[C@]2(C)[C@@H](C\C=C(\CC(O)=O)C=O)C(=C)CC[C@@H]12
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C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
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OC(=O)C1CCC=C1C=O
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CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
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C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
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OC(=O)C1=C(CCC1)C(O)=O
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
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CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
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[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
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CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
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0.65 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-764-596 |
0.65 |
CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-765-250 |
0.65 |
C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-002-527-265 |
0.65 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
|
|
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0.65 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-514-284 |
0.65 |
CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-001-794-936 |
0.65 |
OC(=O)CC1=CCCCC1
|
|
| MolPort-001-741-355 |
0.65 |
OC(=O)CCCCCCC\C=C/CC(O)=O
|
|
| MolPort-001-740-913 |
0.65 |
C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
|
| MolPort-046-597-698 |
0.65 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
|
|
| MolPort-000-720-642 |
0.65 |
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-001-836-053 |
0.65 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
|
|
| MolPort-021-804-631 |
0.65 |
CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
|
|
| MolPort-001-740-060 |
0.65 |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-002-158-261 |
0.65 |
CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
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| MolPort-046-693-102 |
0.65 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
|
|
| MolPort-038-948-537 |
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CCCCC=C1CCC(CC(O)=O)CC1
|
|
| MolPort-002-801-261 |
0.65 |
C[C@]12CCC3C(CC[C@@]4(C)CC(C)(O)C=C[C@]34C)C1CC[C@@H]2O
|
|
| MolPort-038-948-469 |
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CCC=CC1CCC(CC1)C(O)=O
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| MolPort-046-761-473 |
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CC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
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C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
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CC1CCC(CC1)C=C(C)C(O)=O
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CC1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
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CC(O)C(O)\C=C(/C)C1CCC2C3=CC(=O)C4CC(O)CC=C(C4)C3CCC12C
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CC[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
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C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
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CCCCC(C)(C)[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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CCCCC[C@@](C)(O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO
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CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O
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COC(=O)C1=CC2CC\C=C/CCC12
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CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C
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C[C@]12C[C@H](O)[C@H]3C([C@@H]1CC[C@]2(O)C(=O)CO)[C@H](O)CC1=CC(=O)CC[C@]31C
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CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(O)C#C
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CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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[2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3CC[C@]12CC
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[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
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0.64 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)CC#N
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0.64 |
CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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0.64 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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0.64 |
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#N
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)[13C]#[13CH]
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
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C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)C12
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CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@]2(O)C#C
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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C\C(=C/CCC(=C)C1(O)CCC(C)=CC1)C(O)=O
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COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]2(O)C#C
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CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#N
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CC12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O
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CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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OC(=O)C(C(O)=O)=C1C2CC3CC(C2)CC1C3
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CC(C)(O)CCCC1=CCC(CC1)C=O
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C1CC2=CC(=O)C(C(=C)C)CC2(CO)C(C)C1O
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C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
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0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(O)C#N)C)=O
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0.64 |
[C@]12(CC)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(O)C#C)[H]
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
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[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
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0.64 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
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0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
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0.64 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
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0.64 |
O=C1C=C2[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@](CC2)(O)C#C)(C)CC3)[H])(C)CC1
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C(CC(C1(O)CC=C(C)CC1)=C)/C=C(\C)/C(=O)O
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| MCULE-5380264709 |
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
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| MCULE-6301437684 |
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O=C1CCC2(C3CCC4(CC)C(O)(CCC4C3CCC2=C1)C#C)[H]
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[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
|
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0.64 |
O=C1C2CC=CCC2(C)C(C(O)=C1)=O
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C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2(O)C#C
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CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
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0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
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0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#C)C)=O
|
|
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0.64 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(O)C#N)=CC(=O)C1
|
|
| MCULE-4509039878 |
0.64 |
CC12C(CC#N)(O)CCC1C1CCC3C(C)(C1CC2)CCC(=O)C=3
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| MCULE-4216254522 |
0.64 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#C)C)=O
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|
| MCULE-2444850987 |
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C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#N)C)=O
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|
| MCULE-8116500557 |
0.64 |
C1(C=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-4060282567 |
0.64 |
O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
|
|
| MCULE-9838503328 |
0.64 |
OC(C=C1C(=O)CCCCC1)=O
|
|
| MCULE-1597987834 |
0.64 |
CC(C(C1CCCC1)=O)=CC(O)=O
|
|
| MCULE-4905768266 |
0.64 |
OC(C=CC(C1CCCC1)=O)=O
|
|
| MCULE-1144217583 |
0.64 |
C1(C=O)CCC(CCCC(O)(C)C)=CC1
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|
| MCULE-2819471637 |
0.64 |
OC(C1CC2(CC2)CCC=1Cl)=O
|
|
| MCULE-7184104452 |
0.64 |
C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
|
|
| MCULE-1595417644 |
0.64 |
OC(C1CC(C2CCC2)CCC=1Cl)=O
|
|
| MCULE-1025553559 |
0.64 |
C(C1=CCCC2(CCCCC2)C1)O
|
|
| MCULE-1695863761 |
0.64 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-9418551163 |
0.64 |
C12(C)C(O)(CCC1C1C(CC2O)C2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-4227913812 |
0.64 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CBr)=O
|
|
| MCULE-6709332090 |
0.64 |
C1(CC2(C=1)CC(=C2)C(O)=O)C(O)=O
|
|
| MCULE-6709791224 |
0.64 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-1436572136 |
0.64 |
C12[C@@]([H])([C@H](C)CC[C@@]1([H])/C(/[H])=C(\C)/C(O)=O)[C@@H](CC=2C)O
|
|
| MCULE-1599764188 |
0.64 |
[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
|
|
| MCULE-6291067113 |
0.64 |
[C@]12(O)C[C@@H]([C@H](O)[C@]1([H])[C@@H](O)C(=C)CC[C@@]1(C(C)(C)[C@]1([H])C=C(C)C2=O)[H])C
|
|
| MCULE-5549887798 |
0.64 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
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|
| MCULE-8312923448 |
0.64 |
C12CCCC(=O)C=1CC(C(=O)O)CC2
|
|
| MCULE-9915754968 |
0.64 |
CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)O
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|
| MolPort-009-019-145 |
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CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(=O)OC)C(O)CC1=O
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|
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CC1=CC(=O)CC(C)(C)[C@@]1(O)\C=C\[C@H](O)CO
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|
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C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-513-687 |
0.64 |
CC1=C(CC2C(CCCC2(C)C)C1)C=O
|
|
| MolPort-013-791-457 |
0.64 |
O=C(C1CCCCC1)C1=CCCCC1
|
|
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OC12CCC(CC1)C=C2
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|
| MolPort-020-005-740 |
0.64 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-039-052-319 |
0.64 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
|
|
| MolPort-002-508-969 |
0.64 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CBr
|
|
| MolPort-002-509-604 |
0.64 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-046-594-244 |
0.64 |
CC1CC2(O)C(C1O)C(O)C(=C)CCC1C(C=C(C)C2=O)C1(C)C
|
|
| MolPort-019-937-243 |
0.64 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](O)[C@H]12
|
|
| MolPort-046-765-411 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H](O)C2(O)C#C
|
|
| MolPort-046-418-653 |
0.64 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](C=C(C)C2=O)C1(C)C
|
|
| MolPort-046-702-139 |
0.64 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
|
|
| MolPort-046-766-286 |
0.64 |
CC1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C(CO)=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-001-569-826 |
0.64 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-039-338-222 |
0.64 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
|
|
| MolPort-009-019-228 |
0.64 |
OC(CC1CCCCC1)\C=C\[C@H]1C(O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-002-911-165 |
0.64 |
C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-153-146 |
0.64 |
CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-046-766-235 |
0.64 |
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@@H]21)C=O
|
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| MolPort-035-706-448 |
0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-019-937-465 |
0.64 |
CC(=O)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O
|
|
| MolPort-039-052-611 |
0.64 |
C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\C(O)CO
|
|
| MolPort-027-853-556 |
0.64 |
CC(O)CCC\C=C\C1CC(O)CC1C(O)\C=C\C(O)=O
|
|
| MolPort-035-785-285 |
0.63 |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-232 |
0.63 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-323 |
0.63 |
CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
|
|
| MolPort-006-394-338 |
0.63 |
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-706-450 |
0.63 |
C[C@H]1[C@H](CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
|
|
| MolPort-035-706-388 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-176-718 |
0.63 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-044-649-711 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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| MolPort-002-506-868 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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|
| MolPort-030-042-288 |
0.63 |
CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
|
|
| MolPort-002-506-869 |
0.63 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
|
|
| MolPort-002-509-462 |
0.63 |
C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
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|
| MolPort-002-510-407 |
0.63 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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| MolPort-001-785-925 |
0.63 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
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0.63 |
CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
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| MolPort-013-262-490 |
0.63 |
CC1CCC(Cl)=C(C1)C(O)=O
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| MolPort-039-338-246 |
0.63 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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| MolPort-046-589-760 |
0.63 |
CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
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0.63 |
C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
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| MolPort-022-366-503 |
0.63 |
OC(=O)CC1CCC=CC1
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|
| MolPort-002-911-095 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC(O)C4=CC(O)CCC4(C)C3CCC12C
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|
| MolPort-046-508-765 |
0.63 |
OC(=O)C[C@H]1CCC=CC1
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|
| MolPort-003-663-637 |
0.63 |
OC(=O)C1CCC\C=C/CC1
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|
| MolPort-035-865-493 |
0.63 |
CC1(C)CC(=O)C(=CCO)C(=O)C1
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| MolPort-039-338-103 |
0.63 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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0.63 |
CC(C)C1=C(O)C(=O)C2=C([C@H](O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O
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0.63 |
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
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|
| MolPort-002-130-411 |
0.63 |
CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
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0.63 |
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
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0.63 |
CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
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|
| MolPort-001-739-582 |
0.63 |
CCCC1=CC(=O)C(O)C1O
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| MolPort-001-011-949 |
0.63 |
CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
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0.63 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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0.63 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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| MCULE-8611232708 |
0.63 |
C12C3C4C(C5C1C(C(O)=O)=C(C(OC)=O)C35)C2C=C4
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|
| MCULE-7927686982 |
0.63 |
C12C3C4C(C5C1C(C(OC)=O)=C(C(OC)=O)C35)C2C=C4
|
|
| MCULE-3333105421 |
0.63 |
OC(C(C=CC1C2CCC(CC2)C1)=O)=O
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| MCULE-5390747778 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-9917637884 |
0.63 |
[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
|
|
| MCULE-3141539281 |
0.63 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-7400696054 |
0.63 |
C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
|
|
| MCULE-5059257985 |
0.63 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)CC=2
|
|
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0.63 |
[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
|
|
| MCULE-8431742814 |
0.63 |
O=C1C(C)CC(C)C(O)=C1
|
|
| MCULE-4275950574 |
0.63 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
|
|
| MCULE-2313378449 |
0.63 |
C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-1591105974 |
0.63 |
C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
|
|
| MCULE-4355376092 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=C[C@H]1O
|
|
| MCULE-7270634760 |
0.63 |
OC(C1C(CC2CC=CCC2)CC1)=O
|
|
| MCULE-1183560917 |
0.63 |
C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
|
|
| MCULE-6545949250 |
0.63 |
CC(C(O)=O)=C1C(C2CC2)CCCC1
|
|
| MCULE-7417377682 |
0.63 |
OC(C1(CC1)CC1CC=CCC1)=O
|
|
| MCULE-7321936729 |
0.63 |
CC(C(O)=O)=C1C2(CCCCC2)CC1
|
|
| MCULE-1202438669 |
0.63 |
C1C=CCCC(C(O)=O)CC1
|
|
| MCULE-6413909495 |
0.63 |
CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
|
|
| MCULE-1528374574 |
0.63 |
OC(C1(CCC1)CC1CC=CCC1)=O
|
|
| MCULE-5859140606 |
0.63 |
CC1CC(C(O)=O)(CC2CC=CCC2)C1
|
|
| MCULE-6935719222 |
0.63 |
OC(C1C(CC2CC=CCC2)CCC1)=O
|
|
| MCULE-1927231914 |
0.63 |
C/C(/C(O)=O)=C1\CCC2(CC2)CC\1
|
|
| MCULE-4980717954 |
0.63 |
C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
|
|
| MCULE-6464473304 |
0.63 |
O=C1C(C(=CCCCCC1)C(OC)=O)C(OC)=O
|
|
| MCULE-1671554697 |
0.63 |
C1(C(O)C(O)C(=C1)CCC)=O
|
|
| MCULE-3077397941 |
0.63 |
C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-8322667113 |
0.63 |
C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-7420090326 |
0.63 |
C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-1643283288 |
0.63 |
C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
|
|
| MCULE-7903507006 |
0.63 |
C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-6934036262 |
0.63 |
C1(C(CCCC(C2C(=O)CC(CC2=O)(C)C)C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-2475543698 |
0.63 |
C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
|
|
| MCULE-8944178238 |
0.63 |
CCCCCCCCC(C(/C=C\C(O)CCCCC(O)=O)O)O
|
|
| MCULE-3057232771 |
0.63 |
C12(CCCCC1)C(C(C(F)(F)F)O)=C(C(=O)O)C2
|
|
| MCULE-4687201971 |
0.63 |
C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)C[C@H](O)[C@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-6296063373 |
0.63 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
|
|
| MCULE-7796574971 |
0.63 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-9904933861 |
0.63 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCCC12C)(C)C
|
|
| MCULE-7247024759 |
0.63 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-4261762276 |
0.63 |
OC(C1C2CC(CC2)CC=1Cl)=O
|
|
| MCULE-8928261768 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
|
|
| MCULE-2911613762 |
0.63 |
[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
|
|
| MCULE-9116290084 |
0.63 |
OC(C=C1C(=O)C2(CCCC2)CC1)=O
|
|
| MCULE-7610148262 |
0.63 |
C1C(C(=O)O)(C)C=CCC1
|
|
| MCULE-4428892848 |
0.63 |
C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
|
|
| MCULE-5541619791 |
0.63 |
[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
|
|
| MCULE-9840181952 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-1537420527 |
0.63 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-9379833788 |
0.63 |
O=C1CCCC(C(=O)OC)=C1
|
|
| MCULE-9420495436 |
0.63 |
O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
|
|
| MCULE-1244483126 |
0.63 |
[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)[C@H](O)C[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
|
|
| MCULE-4386964450 |
0.63 |
[C@@H]1(C)[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
|
|
| MCULE-7547377444 |
0.63 |
[C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
|
|
| MCULE-9000594402 |
0.63 |
C[C@@H]1[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
|
|
| MCULE-7079731514 |
0.63 |
O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
|
|
| MCULE-6797419887 |
0.63 |
C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
|
|
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0.63 |
CCCCCCCCC(O)C(O)\C=C/C(O)CCCCC(O)=O
|
|
| MolPort-002-549-690 |
0.63 |
[Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
|
|
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0.63 |
CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-046-153-126 |
0.63 |
CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O
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0.63 |
COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCCC12C
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0.63 |
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0.63 |
COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
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O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O
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0.63 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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0.63 |
C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
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OC(=O)CC1CC2CC1C=C2
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CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
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CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
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C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
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OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
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C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
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C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12)C=C(C)C
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CC1CC2(O)C(C1O)C(O)C(=C)C(O)CC1C(C=C(C)C2=O)C1(C)C
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C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)CC(=O)[C@H]2[C@@]2(C)C=CC(=O)C=C12
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C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
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CC(=O)[C@@]1(O)C(Br)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
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COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
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CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
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C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]1[C@@H](C=C(C)C2=O)C1(C)C
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CC(=O)[C@@]1(O)C(Br)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
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CC[C@]12CC[C@@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@H]1CCC2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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CCCCC\C=C/CCCCCCCCCCCCC(O)=O
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CCCCCC\C=C\CCCCCCCCCC(O)=O
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CCCCCC\C=C\CCCCCCCCC(O)=O
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CCCCCC\C=C/CCCCCCCCC(O)=O
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CCCCCCCCC=CCCCCCCCCCCCC(O)=O
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O=C1CCC2(CCCCC2)C=C1
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CCCCCC\C=C/CCCCCCCCCCCC(O)=O
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COC(=O)CC1C(=CC2CC(C)(C)CC12C(=O)CO)C(O)=O
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OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
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COC1=C2CCCC(=O)C2(C)CCC1=O
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CCC(C)CCCCC\C=C/CCCCC(O)=O
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CCCCCCCC\C=C/CCCCCCCC(O)=O
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CCCCCCCCCCC\C=C/CCCCCCC(O)=O
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CCCC\C=C/CCCCCCCCCC(O)=O
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CCCCCCCCCCC\C=C\CCCCC(O)=O
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CCCCCCCCC=CCCCCCCCC(O)=O
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CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C
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O=C1CCC2CCCCC2=C1
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CCCC\C=C\CCCCCCCCC(O)=O
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CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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COC(=O)C1=C(C2C3C4CC2C1C34)C(=O)OC
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CC(C)C1CC(=O)C=C2CCCCC12
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CC(C)CCCCCC\C=C/CCCCC(O)=O
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CCCCCC\C=C/CCCCCCCC(O)=O
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CC(C)[C@H]1CC[C@]2(C)C([C@H]1C(C=O)=C2C)C(O)=O
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CC(=C)C[C@]12CCC(=O)C=C1CCCC2=O
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CCCCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
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OC(=O)C1CC2C=CC1C2=O
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C\CCCC(O)=O
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CC(C)(C)C1=CC(O)(CCC(O)=O)C=C(C1=O)C(C)(C)C
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CCCCC(C)(C)[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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C12C3C1(C)C(C)(C(C3)C2)CC/C=C(\C)/C(O)=O
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CC1C(C(C(C)=CC(O)=O)=O)C1
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O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
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CC(C(C1C(C)(C)C1)=O)=CC(O)=O
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C1(C)=C2[C@@H](O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C21CC2
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[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C=O)CC[C@H](O)C=2)C1COC(=O)C=1
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| MCULE-5854292644 |
0.62 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1
|
|
| MCULE-9997496254 |
0.62 |
[C@@]12(O)[C@@H](O)C(C)=C[C@@]31C([C@@]([H])(C=C(C)[C@H]2O)[C@]1([H])C(C)(C)[C@]1([H])C[C@H]3C)=O
|
|
| MCULE-5292387234 |
0.62 |
C1(C)=CC(O)CC(CCCCC)C1C(OC)=O
|
|
| MCULE-2155468707 |
0.62 |
C123[C@H](C)C[C@H]4C(C)(C)[C@H]4C(C1=O)C=C(C)[C@@H](O)[C@]2(O)[C@@H](O)C(C)=C3
|
|
| MCULE-4179231449 |
0.62 |
C1C(C)(C)[C@@](O)(/C=C/C(/C)=C/CO)C(C)=CC1=O
|
|
| MCULE-2496014695 |
0.62 |
C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
|
|
| MCULE-7444972832 |
0.62 |
C(O)(=O)CCC/C=C1/C[C@@]2([H])[C@@]([H])(C/1)C[C@@H](O)[C@@H]2/C=C/[C@@H](O)CCCCC
|
|
| MCULE-9700928997 |
0.62 |
C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
|
|
| MCULE-8297574712 |
0.62 |
C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
|
|
| MCULE-7543238538 |
0.62 |
C(O)(=O)CCC1C(=O)CCCC=1
|
|
| MCULE-6629316076 |
0.62 |
O=C1C(=CO)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-7173744939 |
0.62 |
C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
|
|
| MCULE-7311176198 |
0.62 |
C(=O)(O)CCCCCCCC(O)C(O)C(O)/C=C\CCCCC
|
|
| MCULE-2422100047 |
0.62 |
C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
|
|
| MCULE-4948873814 |
0.62 |
C1(CCCCC1=O)=CC(CCCC)CC
|
|
| MCULE-8149754044 |
0.62 |
C(C1=CC(C)CCC1)=O
|
|
| MCULE-7594121913 |
0.62 |
C1(CCCCC1=O)=CCCCCCC
|
|
| MCULE-2011068282 |
0.62 |
C1(CO)C(C)(C)CCCC=1C
|
|
| MCULE-8040115902 |
0.62 |
C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
|
|
| MCULE-5216294937 |
0.62 |
O=C1C(C2CCCCC=2)CCCC1
|
|
| MCULE-7819289735 |
0.62 |
C1(CCCC(C)=C1C=O)(C)C
|
|
| MCULE-1348157475 |
0.62 |
C12CCC3[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CCC=21)O
|
|
| MCULE-7890127494 |
0.62 |
C12CCC(=O)C(C)=C1C=CC1CC(O)C(O)CC21
|
|
| MCULE-9073699986 |
0.62 |
[C@]12([H])[C@](CO)(C)C=C(CO)[C@]1(C)[C@@]1([H])CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC2
|
|
| MCULE-6914354313 |
0.62 |
C1=CC2C=CC3C(C(O)=O)=CC1C23
|
|
| MCULE-1081447415 |
0.62 |
O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
|
|
| MCULE-9579621162 |
0.62 |
C1C[C@]2(C)[C@@]3([H])C[C@H](O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-4191246644 |
0.62 |
C1(CCCCC=1Cl)C(O)=O
|
|
| MCULE-6191127237 |
0.62 |
O=C1CCC2C(=C1C)C=CC1(C)C2CC(O)C(O)C1
|
|
| MCULE-1308336736 |
0.62 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-9474095410 |
0.62 |
[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-5064546197 |
0.62 |
[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
|
|
| MCULE-5111117747 |
0.62 |
C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-2593667564 |
0.62 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-7880412465 |
0.62 |
C(O)(C(C1CCCC=1)CCC)=O
|
|
| MCULE-7088367969 |
0.62 |
[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
|
|
| MCULE-6367656540 |
0.62 |
C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-6888052424 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-5967042891 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
|
|
| MCULE-9335086572 |
0.62 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-6217200752 |
0.62 |
O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-1524945873 |
0.62 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
|
|
| MCULE-3143886740 |
0.62 |
C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-8045386580 |
0.62 |
C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-2021957290 |
0.62 |
C(C)CCCCCCCCCCC(O)/C=C/CCC(=O)O
|
|
| MCULE-1048579708 |
0.62 |
C12(C)CCCC(C)(C)C1=CC(=O)CC2
|
|
| MCULE-8177568528 |
0.62 |
C1(=O)C(C2[C@@]([H])(C=C1O)[C@@]1(C)[C@]([H])([C@]3([C@@](CC1=O)(C)[C@@H]([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@H](O)C3)C)CC=2)(C)C
|
|
| MCULE-7375016319 |
0.62 |
[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
|
|
| MCULE-7588379835 |
0.62 |
C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
|
|
| MCULE-8599123114 |
0.62 |
C12(C)CCCCC1=C(C)C(=O)CC2
|
|
| MCULE-4848524801 |
0.62 |
C(C)(=CCCCCCC)C(O)=O
|
|
| MCULE-7702176615 |
0.62 |
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
|
|
| MCULE-3539513004 |
0.62 |
C1(C(O)=O)=CC(C(O)C1(C)C)(C)C
|
|
| MCULE-8191255112 |
0.62 |
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
|
|
| MCULE-8798348917 |
0.62 |
C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
|
|
| MCULE-2216758301 |
0.62 |
C1(C)(C)C2([H])C(O)C=C(C)C1(C2)[H]
|
|
| MCULE-9547538729 |
0.62 |
CCCCCCCCC=CCCCCCCCC(O)=O
|
|
| MCULE-7781678672 |
0.62 |
C12CCCCC1C(CC(=O)C=2)C(C)C
|
|
| MCULE-6460959687 |
0.62 |
C12C3C4CC1C2C4C(C(OC)=O)=C3C(OC)=O
|
|
| MCULE-1925425954 |
0.62 |
C12CCCCC1CCC(=O)C=2
|
|
| MCULE-1046270451 |
0.62 |
OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
|
|
| MCULE-1814135588 |
0.62 |
C1[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](C)(O)C(C=CC(C)(C)O)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C(=O)C=1O
|
|
| MCULE-9790788139 |
0.62 |
O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
|
|
| MCULE-2640054094 |
0.62 |
O=C1CC(O)C(C)=C1CC=C
|
|
| MCULE-1713115618 |
0.62 |
C1=CC2C3C=CC3C1C=C2C(=O)O
|
|
| MCULE-7345759760 |
0.62 |
O=C1CCC2(C)C(CCCC2=C1OC)=O
|
|
| MCULE-6044533117 |
0.62 |
OC(CCCCCCC/C=C\CCCCCCCC)=O
|
|
| MCULE-7592205580 |
0.62 |
C(/CCCCCC(C)CC)=C/CCCCC(O)=O
|
|
| MCULE-5631441050 |
0.62 |
C12CCCCC1(C)CCC(=O)C=2
|
|
| MCULE-3248745724 |
0.62 |
C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
|
|
| MCULE-3046418352 |
0.62 |
CCCCCCCC/C=C/CCCCCCCC(=O)O
|
|
| MCULE-5916603018 |
0.62 |
C1(/CCCCC/1)=C(\C)/C(=O)O
|
|
| MCULE-7761893081 |
0.62 |
C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
|
|
| MCULE-9060371972 |
0.62 |
C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
|
|
| MCULE-1342617339 |
0.62 |
C1CC2C3CCCCC3=CC(=O)C2CC1
|
|
| MCULE-9914820446 |
0.62 |
C(/CCCCCCC(C)C)=C/CCCCC(O)=O
|
|
| MCULE-3926742898 |
0.62 |
O=C1C=CC2(CCCCC2)CC1
|
|
| MCULE-5077473579 |
0.62 |
C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
|
|
| MCULE-8054022250 |
0.62 |
C(CCCCCCCCC=CCCCCCC)(O)=O
|
|
| MCULE-7918435177 |
0.62 |
C1(C)(C)[C@]2([H])C[C@@]1([H])C(C)=C[C@@H]2O
|
|
| MCULE-3726837580 |
0.62 |
C1CCC(C(OC)=O)=C(C(OC)=O)CC1
|
|
| MCULE-4841780318 |
0.62 |
C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
|
|
| MCULE-2374686913 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-3959902732 |
0.62 |
OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-8147130899 |
0.62 |
C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
|
|
| MCULE-4023009546 |
0.62 |
C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
|
|
| MCULE-5624348400 |
0.62 |
C1(C(=O)O)CC2C=CC1CC2
|
|
| MCULE-8509022096 |
0.62 |
[C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
|
|
| MCULE-3340613267 |
0.62 |
C12(C)C3C(C4C(C)(CC3)C(C(C)=O)CC4)CCC1=CC(=O)CC2=O
|
|
| MCULE-5549502379 |
0.62 |
C12C3CC(C=C3)C1C2C(O)=O
|
|
| MCULE-1400269697 |
0.62 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-4937005028 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
|
|
| MCULE-7865324905 |
0.62 |
C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
|
|
| MCULE-2528813222 |
0.62 |
C1=C[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C[C@@H](CO)C2=CC1=O
|
|
| MCULE-3167433007 |
0.62 |
O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(C)=O
|
|
| MCULE-6267867370 |
0.62 |
C12(C(C)(C)C)C=CC1(C(=O)C2(C)O)C(C)(C)C
|
|
| MCULE-1122207491 |
0.62 |
CC(C(O)=O)=C1CC2CC(CC2)C1
|
|
| MolPort-002-527-393 |
0.62 |
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-411 |
0.62 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-044-183-385 |
0.62 |
CC1=C2[C@@H](O)[C@](C)(CO)C=C2C(=O)[C@](C)(O)C11CC1
|
|
| MolPort-042-675-459 |
0.62 |
C\C(=C/CO)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-002-135-317 |
0.62 |
CCCCCC1CC(O)C=C(C)C1C(=O)OC
|
|
| MolPort-046-417-453 |
0.62 |
C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(C)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
|
|
| MolPort-039-338-483 |
0.62 |
C[C@@H]1C[C@@H]2[C@H](C3C=C(C)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=CC14C3=O)C2(C)C
|
|
| MolPort-027-640-976 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C\CCCC(O)=O
|
|
| MolPort-035-706-218 |
0.62 |
C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
|
|
| MolPort-016-584-038 |
0.62 |
CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
|
|
| MolPort-005-945-021 |
0.62 |
CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
|
|
| MolPort-002-135-152 |
0.62 |
OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
|
|
| MolPort-039-338-119 |
0.62 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-910-713 |
0.62 |
OC(=O)C1C2CCC(C=C2)C1C(O)=O
|
|
| MolPort-023-274-334 |
0.62 |
CCCCC\C=C/C(O)C(O)C(O)CCCCCCCC(O)=O
|
|
| MolPort-003-940-710 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2C\C(C[C@H]12)=C/CCCC(O)=O
|
|
| MolPort-039-338-789 |
0.62 |
COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-002-498-111 |
0.62 |
CC1=CC(O)CC(C)(C)C1
|
|
| MolPort-001-816-845 |
0.62 |
O=C1CCCCC1C1=CCCCC1
|
|
| MolPort-001-817-194 |
0.62 |
CCCCC(CC)\C=C1/CCCCC1=O
|
|
| MolPort-003-846-085 |
0.62 |
[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
|
|
| MolPort-000-811-412 |
0.62 |
CCCCC(CC)\C=C1\CCCCC1=O
|
|
| MolPort-000-722-317 |
0.62 |
CCCCCC\C=C1/CCCCC1=O
|
|
| MolPort-003-846-086 |
0.62 |
CC1=C(CO)C(C)(C)CCC1
|
|
| MolPort-001-794-308 |
0.62 |
CC1=C(C=O)C(C)(C)CCC1
|
|
| MolPort-046-588-886 |
0.62 |
O=CC1(CCCCC1)C1=CCCCC1
|
|
| MolPort-046-792-915 |
0.62 |
C[C@]12CCC3=C4CC[C@H](O)C=C4CC[C@H]3[C@H]1CCC2=O
|
|
| MolPort-039-338-964 |
0.62 |
C[C@H](C\C=C\C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-035-705-831 |
0.62 |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1O
|
|
| MolPort-006-701-571 |
0.62 |
C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
|
|
| MolPort-046-701-687 |
0.62 |
CC(=O)C(O)C1(C)CCC2C3CCC4=CC(=O)CCC4=C3CCC12C
|
|
| MolPort-002-471-266 |
0.62 |
OC(=O)C1=C(Cl)CCCC1
|
|
| MolPort-039-338-613 |
0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@@](C)(CO)C=C5CO)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-028-599-742 |
0.62 |
O[C@H]1CC[C@@H]2C1CCC1=C3CCC(=O)C=C3CC[C@@H]21
|
|
| MolPort-002-510-832 |
0.62 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3C1CC[C@@H]2O
|
|
| MolPort-042-694-347 |
0.62 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
|
|
| MolPort-035-705-809 |
0.62 |
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C
|
|
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0.62 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
|
|
| MolPort-035-784-288 |
0.62 |
O.CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-019-937-247 |
0.62 |
CCCCCCCCCCCCC(O)\C=C\CCC(O)=O
|
|
| MolPort-044-193-919 |
0.62 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
|
|
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0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-001-736-568 |
0.62 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
|
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0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
|
|
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0.62 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-029-943-099 |
0.62 |
CCCCCCC(O)C\C=C\C(O)=O
|
|
| MolPort-000-729-105 |
0.62 |
CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
|
| MolPort-002-525-147 |
0.62 |
C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
|
|
| MolPort-002-534-996 |
0.62 |
C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
|
|
| MolPort-006-668-331 |
0.62 |
CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
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0.62 |
CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-433 |
0.62 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
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0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
|
|
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0.62 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-039-338-864 |
0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-004-802-886 |
0.62 |
CC1CCC(O)=CC1=O
|
|
| MolPort-027-834-998 |
0.62 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-002-507-280 |
0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
|
|
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0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-039-338-968 |
0.62 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
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0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCCCCCC(O)=O
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|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(O)=O
|
|
| MolPort-009-018-315 |
0.61 |
CCCCCC(O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCCCC(O)=O
|
|
| MolPort-046-763-170 |
0.61 |
CCCCCC(=O)\C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-009-018-334 |
0.61 |
CCCCC[C@](C)(O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-009-018-325 |
0.61 |
CCCCCC(O)\C=C\[C@H]1[C@@H](O)CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-009-018-333 |
0.61 |
CCCCC[C@@H](O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-003-939-185 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
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0.61 |
CC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC=C34)[C@@H]1CC[C@@]2(O)C#C
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| MolPort-009-018-339 |
0.61 |
CCCCC(C)(C)C(O)\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
|
|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
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0.61 |
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
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0.61 |
CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)C#C
|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@@H]1CCCCCCC(O)=O
|
|
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0.61 |
CCCCCC(O)\C=C\C1C(O)CC(=O)C1CCCCCCC(O)=O
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|
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0.61 |
CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1CCCCCCC(O)=O
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|
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@H]1CCCCCCC(O)=O
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|
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0.61 |
C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CC[C@@]2(O)C#C
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0.61 |
C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
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0.61 |
CC12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2(O)C#C
|
|
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0.61 |
CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O
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|
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0.61 |
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O
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|
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CC1=C2[C@@H](O)C(C)(C)C=C2C(=O)[C@](C)(O)C11CC1
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|
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0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
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0.61 |
C[C@@H]1CC2=C(CCC(=O)C2)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)[C@H]12
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0.61 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O
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|
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0.61 |
O[C@@H]1CC(=CC(O)C1O)C(O)=O
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0.61 |
CC(=O)C(CC(O)=O)C1=C(O)CC(C)(C)CC1=O
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|
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0.61 |
OC1CC(=CC(O)C1O)C(O)=O
|
|
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0.61 |
C\C(=C/CO)C1C(C)=CC2CC(C)(O)CC(C2C1(C)C(=O)CCO)C(O)=O
|
|
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0.61 |
C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
|
|
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0.61 |
CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
|
|
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0.61 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
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0.61 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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|
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
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0.61 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.61 |
CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
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|
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0.61 |
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
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|
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0.61 |
CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
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0.61 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
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0.61 |
[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
|
|
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0.61 |
CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
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0.61 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
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0.61 |
CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
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0.61 |
C[C@@H](CCC=C(C)C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O
|
|
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0.61 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-028-962-365 |
0.61 |
CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
|
|
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0.61 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
|
|
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0.61 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
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0.61 |
CC(C)[C@H]1C[C@H](O)C(C)=C[C@@H]1O
|
|
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0.61 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
|
|
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0.61 |
CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
|
|
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0.61 |
C\C=C\C(=O)C1C(C)=CCCC1(C)C
|
|
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
|
|
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0.61 |
C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
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0.61 |
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
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0.61 |
[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
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0.61 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.61 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
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0.61 |
[Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-006-118-208 |
0.61 |
[Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-001-785-926 |
0.61 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
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0.61 |
CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-148-399 |
0.61 |
CC(C)(O)C1CCC(CO)=CC1
|
|
| MolPort-002-526-176 |
0.61 |
CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-517-271 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
|
|
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0.61 |
CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
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0.61 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-111-036 |
0.61 |
[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-035-706-382 |
0.61 |
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
|
|
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0.61 |
CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
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0.61 |
CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
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0.61 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
|
|
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0.61 |
OC(=O)CC1CCC=CCC1
|
|
| MolPort-046-788-543 |
0.61 |
CCCCC(O)\C=C\C(O)=O
|
|
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
|
|
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0.61 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
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0.61 |
CC1C(O)C2(O)C(C3C=C(CO)CC4(O)C(C=C(C)C4=O)C13O)C2(C)C
|
|
| MolPort-035-920-598 |
0.61 |
C[C@@H]1[C@@H](O)[C@]2(O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
|
|
| MolPort-039-338-518 |
0.61 |
C[C@@H]1[C@@H](O)[C@]2(O)[C@H](C3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
|
|
| MolPort-035-706-407 |
0.61 |
CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-314 |
0.61 |
CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
|
|
| MolPort-044-564-431 |
0.61 |
CC(=O)C12CC=CC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-044-562-375 |
0.61 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-035-706-383 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-761-019 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-174 |
0.61 |
C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
|
|
| MolPort-001-740-226 |
0.61 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
|
|
| MolPort-046-790-494 |
0.61 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
|
|
| MolPort-002-526-219 |
0.61 |
CC(=O)[C@@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-001-740-301 |
0.61 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(O)(CO)C3)C(O)=O
|
|
| MolPort-007-567-460 |
0.61 |
CC(=O)C12CC=CCC1CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-627-162 |
0.61 |
CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
|
|
| MolPort-039-338-638 |
0.61 |
C[C@H](C[C@H](O)[C@@H](O)C(C)=C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-046-774-240 |
0.61 |
OC(=O)C12CCC(C1)C=C2
|
|
| MolPort-046-596-589 |
0.61 |
CC(=O)C12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-030-042-338 |
0.61 |
CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-002-328-797 |
0.61 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-000-743-133 |
0.61 |
C[C@H]1CC2C3CC[C@](O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-002-527-775 |
0.61 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-764-827 |
0.61 |
[2H]C1=C[C@]2(C)[C@@H]3[C@@H](CCC2=C([2H])C1=O)[C@@H]1CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]1(C)C([2H])([2H])C3=O
|
|
| MolPort-027-640-887 |
0.61 |
C[C@@H](O)CCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-046-764-997 |
0.61 |
[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])C(=O)[C@]21[2H]
|
|
| MolPort-046-761-478 |
0.61 |
[2H]C1([2H])[C@@]([2H])(O)[C@H]2[C@@H](C[C@H](C)C3=CC(=O)C=C[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-002-511-922 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
|
|
| MolPort-035-706-518 |
0.61 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
|
|
| MolPort-000-730-361 |
0.61 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-507-412 |
0.61 |
C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-002-528-554 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-035-668-920 |
0.61 |
CC12CC(O)[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-740-041 |
0.61 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-009-018-302 |
0.61 |
CCCCCC(O)C\C=C1/C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-035-924-389 |
0.61 |
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
|
|
| MolPort-035-706-436 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)C=C5CO)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-001-832-305 |
0.61 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-039-138-875 |
0.61 |
C[C@@H](O)CCC[C@@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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|
| MolPort-046-766-227 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-046-196-989 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-000-713-158 |
0.61 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-039-338-639 |
0.61 |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
|
|
| MolPort-046-690-441 |
0.61 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-507-147 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-035-706-310 |
0.61 |
CC1(C)C=C(CO)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@H](O)C(C)(C)CC[C@@]3(CC[C@@]12C)C(O)=O
|
|
| MolPort-006-113-124 |
0.61 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
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| MolPort-009-198-792 |
0.61 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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| MolPort-027-853-692 |
0.61 |
C[C@]1(CC(=O)[C@]2(O)C(=C1)C(=O)C(O)=C1[C@]22C[C@H]2CC[C@@]1(C)C(O)=O)C=C
|
|
| MCULE-6976868103 |
0.61 |
OC1CC(=O)C(CCCCCCC(O)=O)C1/C=C/C(O)CCCCC
|
|
| MCULE-6471729935 |
0.61 |
C1CC2[C@@]3([H])CC[C@]4(C)[C@@](C#C)(O)CC[C@@]4([H])[C@]3([H])[C@H](C)CC=2CC1=O
|
|
| MCULE-2517844980 |
0.61 |
O=C(CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](CCCCC)O)O
|
|
| MCULE-3124415982 |
0.61 |
C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
|
|
| MCULE-5855122450 |
0.61 |
C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
|
|
| MCULE-5248179465 |
0.61 |
CCCCCC(C=CC1C(CCCCCCC(=O)O)C(=O)CC1O)O
|
|
| MCULE-9075563464 |
0.61 |
O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
|
|
| MCULE-4110286960 |
0.61 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
|
|
| MCULE-9797468470 |
0.61 |
CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
|
|
| MCULE-3025026991 |
0.61 |
C[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1[C@@H](CC3=C([C@H]1CC2)CCC(=O)C3)C
|
|
| MCULE-7591578797 |
0.61 |
[C@H]1(CCCCCCC(=O)O)C(=O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCCCC
|
|
| MCULE-5918636692 |
0.61 |
C1(=O)[C@H](CCCCCCC(=O)O)[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C1
|
|
| MCULE-4207394958 |
0.61 |
C1(C(C)=CC2C(C1(C)C(CCO)=O)C(C(=O)O)CC(C)(O)C2)/C(=C/CO)/C
|
|
| MCULE-8467892216 |
0.61 |
C1(C[C@@H](O)[C@@H]([C@H](O)C=1)O)C(O)=O
|
|
| MCULE-9138847690 |
0.61 |
C1(C[C@@H](O)[C@@H]([C@H](O)C=1)O)C(O)=O
|
|
| MCULE-2599314177 |
0.61 |
C1(CC(O)C(C(O)C=1)O)C(O)=O
|
|
| MCULE-8461044873 |
0.61 |
C1(C(CC(O)=O)C(C)=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-3386101177 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
|
|
| MCULE-4324141268 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-5238788396 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-8841120984 |
0.61 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
|
|
| MCULE-6718216216 |
0.61 |
CC1CC(CC/C=C(\C)/C)=CC(O)C1
|
|
| MCULE-8690639813 |
0.61 |
[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
|
|
| MCULE-9180888884 |
0.61 |
CC1C(=C(C(O)=O)C)CCCCC1
|
|
| MCULE-9661302470 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8417547529 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-9795083418 |
0.61 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
|
|
| MCULE-8519555544 |
0.61 |
C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
|
|
| MCULE-5119094209 |
0.61 |
O=C(C12CCCC1C2)C1CCCCC=1
|
|
| MCULE-4734547723 |
0.61 |
CCC1C(=C(C(O)=O)C)CCCCC1
|
|
| MCULE-6022003482 |
0.61 |
[C@@H]1(O)C(C)=C[C@H](O)[C@@H](C(C)C)C1
|
|
| MCULE-1428417742 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-3033801776 |
0.61 |
OC(C12CCCC1C2)C1CCCCC=1
|
|
| MCULE-1731235356 |
0.61 |
O=C(C1CCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-3526435182 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-3425686308 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-2160116138 |
0.61 |
O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
|
|
| MCULE-9542819314 |
0.61 |
CC(CC1CCCC1)=C(C(O)=O)C
|
|
| MCULE-7380885765 |
0.61 |
O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
|
|
| MCULE-1068095495 |
0.61 |
OC1(CCC(=O)CC1)CC1CC=CC1
|
|
| MCULE-3893717167 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
|
|
| MCULE-2611969931 |
0.61 |
[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-6739386631 |
0.61 |
O=C(C1CCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-8902385122 |
0.61 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-6538426298 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
|
|
| MCULE-2467601128 |
0.61 |
C1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-3125023758 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
|
|
| MCULE-7132823730 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-6738536824 |
0.61 |
O=C1C(C)=C2C(CCCC2(C)CC1)=O
|
|
| MCULE-6262778979 |
0.61 |
OC1(C(CC2CC=CC2)=O)CCCCC1
|
|
| MCULE-6340945460 |
0.61 |
O=C(C12CCCCC1C2)C1CCCCC=1
|
|
| MCULE-3248572557 |
0.61 |
CC(C1C(=C(C(O)=O)C)CCCCC1)C
|
|
| MCULE-2014220888 |
0.61 |
O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
|
|
| MCULE-3394759576 |
0.61 |
C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
|
|
| MCULE-3222494622 |
0.61 |
C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
|
|
| MCULE-8676658606 |
0.61 |
C1(O)CC2CC2C=C1
|
|
| MCULE-9379929413 |
0.61 |
C1(O)CC2(C)CC2(C)C=C1
|
|
| MCULE-9641907119 |
0.61 |
C12C(C)(O)C=CC(C1)CC2
|
|
| MCULE-4876387221 |
0.61 |
O=C(C1CCCCC=1)CC1CC2C(C2)C1
|
|
| MCULE-3132312011 |
0.61 |
O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
|
|
| MCULE-4188975486 |
0.61 |
O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
|
|
| MCULE-2893862044 |
0.61 |
[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
|
|
| MCULE-6754513691 |
0.61 |
[C@]1([H])([C@@H](C)CC/C=C(\C)/C)[C@@H](O)C=C(C)[C@H](O)C1
|
|
| MCULE-9637050612 |
0.61 |
O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
|
|
| MCULE-4303966960 |
0.61 |
C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
|
|
| MCULE-7384114075 |
0.61 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
|
|
| MCULE-4751725371 |
0.61 |
C1(C)C(O)C2(O)C(C)(C)C2([H])C2([H])C=C(CO)CC3(O)C(=O)C(C)=CC3([H])C12O
|
|
| MCULE-3277288834 |
0.61 |
C1(=O)[C@]2(O)[C@]([H])([C@@]3(O)[C@H](C)[C@@H](O)[C@@]4(O)C(C)(C)[C@@]4([H])[C@]3([H])C=C(CO)C2)C=C1C
|
|
| MCULE-4157019388 |
0.61 |
C1(=O)[C@]2(O)[C@]([H])([C@@]3(O)[C@H](C)[C@@H](O)[C@@]4(O)C(C)(C)[C@@]4([H])[C@]3([H])C=C(CO)C2)C=C1C
|
|
| MCULE-2506870963 |
0.61 |
C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
|
|
| MCULE-8366624892 |
0.61 |
OC(C(C=CC1CC2C(C2)C1)=O)=O
|
|
| MCULE-1509278335 |
0.61 |
[C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
|
|
| MCULE-9380673221 |
0.61 |
OC(C(C=CC1CC2C(C2)CC1)=O)=O
|
|
| MCULE-9341959688 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
|
|
| MCULE-8828485995 |
0.61 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(=C)C)CC[C@]21C)O)(C)C
|
|
| MCULE-7626806338 |
0.61 |
C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-5074709635 |
0.61 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
|
|
| MCULE-2411412323 |
0.61 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
|
|
| MCULE-1918074338 |
0.61 |
C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-1877150050 |
0.61 |
C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
|
|
| MCULE-6828135112 |
0.61 |
C1[C@@H]2C[C@]32[C@]2(O)C(=O)C[C@@](C)(C=C)C=C2C(=O)C(O)=C3[C@@](C(=O)O)(C)C1
|
|
| MCULE-5764697777 |
0.61 |
C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
|
|
| MCULE-8934838036 |
0.61 |
C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
|
|
| MCULE-6066053107 |
0.61 |
COC1C(C(C2CCCCC=2)=O)C1
|
|
| MCULE-9427838644 |
0.61 |
C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-2603291254 |
0.61 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-4729751323 |
0.61 |
C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
|
|
| MCULE-7939545317 |
0.61 |
O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
|
|
| MCULE-4625091681 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-6519818800 |
0.61 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
|
|
| MCULE-5376882383 |
0.61 |
C[C@@H]1C2=CC(C=C[C@]2(C)[C@@H]2[C@H]([C@H]3[C@](C)(C[C@@H]2O)[C@@](O)(C(CO)=O)CC3)C1)=O
|
|
| MCULE-1910819843 |
0.61 |
COC1C(C(C2CCCCCCC=2)=O)C1
|
|
| MCULE-4546155810 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
|
|
| MCULE-4494327817 |
0.61 |
C1(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)C(C)CC4C3CCC2=C1
|
|
| MCULE-1128702855 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
|
|
| MCULE-1490219000 |
0.61 |
C1=CC2([H])CC(O)C3([H])C(C(=O)O)=CC1([H])C23[H]
|
|
| MCULE-1744907330 |
0.61 |
C1CC2(CCC(CO)C(CO)=CC2=C(C1=O)C)C
|
|
| MCULE-6317272202 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-5590913017 |
0.61 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-7081887871 |
0.61 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](/C(/C)=C/CO)CC3)CC=2
|
|
| MCULE-5225411148 |
0.61 |
C12(C)CCCC(C)(C)C1CCC(C)(O)C2C=CC(C)=O
|
|
| MCULE-5702475533 |
0.61 |
C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
|
|
| MCULE-6129970627 |
0.61 |
C12C3C(C)C(C)C4C56CC(O)C=CC35C6C1C24
|
|
| MCULE-9638281061 |
0.61 |
C1=C(C)CC(=O)/C(=C(/CO)\C)/CC=C(C)CC1
|
|
| MCULE-1608951387 |
0.61 |
C(=C/CC)/CC(/C=C/C(O)C(O)CCCCCCCC(=O)O)O
|
|
| MCULE-5543998347 |
0.61 |
O=C1C=C2CCCCC32C1C1C(=O)C3C2CCCCC=21
|
|
| MCULE-6336425947 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@H]1O)(C)[C@@](O)(C(=O)CO)[C@@H](O)C3)CC2
|
|
| MCULE-9340600776 |
0.61 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-3754202975 |
0.61 |
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-1563230915 |
0.61 |
OCC([C@]1([C@@](C[C@@]2([C@@]1(C[C@@]([C@]1([C@]2(CCC2=CC(C=C[C@]12C)=O)[H])[H])(O)[H])C)[H])(O)[H])O)=O
|
|
| MCULE-3238309101 |
0.61 |
C12(CCC(C(C(=O)O)C1C(=O)O)C=C2)C(=O)O
|
|
| MCULE-2723569406 |
0.61 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-6259260626 |
0.61 |
C12(C)CCC(C)C(C(=O)O)=CC1=CC(O)CC2O
|
|
| MolPort-005-944-428 |
0.61 |
CC1=C2C=C(CO)C(CO)CCC2(C)CCC1=O
|
|
| MolPort-046-697-187 |
0.61 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-002-070-296 |
0.61 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-418-007 |
0.61 |
C\C(=C/CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-025-718 |
0.61 |
CC(=O)\C=C\C1C(C)(O)CCC2C(C)(C)CCCC12C
|
|
| MolPort-002-911-134 |
0.61 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
|
|
| MolPort-039-141-863 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
|
|
| MolPort-001-740-031 |
0.61 |
CC\C=C/CC(O)\C=C\C(O)C(O)CCCCCCCC(O)=O
|
|
| MolPort-044-183-418 |
0.61 |
[Ca++].CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@]2(C)C\C(C[C@H]12)=C/CCCC([O-])=O.CCCCC[C@H](O)\C=C/[C@H]1[C@H](O)C[C@]2(C)C\C(C[C@H]12)=C\CCCC([O-])=O
|
|
| MolPort-021-804-466 |
0.61 |
C\C(CO)=C1\C\C=C(C)\CC\C=C(C)\CC1=O
|
|
| MolPort-002-169-466 |
0.61 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
|
|
| MolPort-046-153-147 |
0.61 |
CC12CC(=O)C3=C(C(=O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-002-524-866 |
0.61 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-035-394-906 |
0.61 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO
|
|
| MolPort-002-525-526 |
0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-046-765-424 |
0.61 |
[2H]C1([2H])C([2H])(O)[C@H]2[C@@H](CCC3=CC(=O)C=CC23C)[C@@H]2C[C@@H](O)[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-023-330-944 |
0.61 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-003-850-491 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-030-082-369 |
0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-046-765-127 |
0.61 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)=O
|
|
| MolPort-046-426-227 |
0.61 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O.C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)O
|
|
| MolPort-044-650-184 |
0.61 |
OC(=O)C1C2CCC(C=C2)(C1C(O)=O)C(O)=O
|
|
| MolPort-035-706-462 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-046-697-439 |
0.61 |
CC1CCC2(C)C(O)CC(O)C=C2C=C1C(O)=O
|
|
| MolPort-001-740-287 |
0.60 |
C\C(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O)=C/CO
|
|
| MolPort-001-764-454 |
0.60 |
CC(C)\C=C\CCCCC(O)=O
|
|
| MolPort-022-657-219 |
0.60 |
OC(=O)\C=C\C1CCCCC1
|
|
| MolPort-022-366-754 |
0.60 |
CCC\C(=C\CC)C(O)=O
|
|
| MolPort-023-313-899 |
0.60 |
CC1(C)CCCCC1=CC(O)=O
|
|
| MolPort-020-060-277 |
0.60 |
CC(=CC(O)=O)C1CCCCC1
|
|
| MolPort-001-740-467 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
|
|
| MolPort-021-783-255 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-044-878-248 |
0.60 |
CC1(C)CCCC\C1=C/C(O)=O
|
|
| MolPort-021-173-401 |
0.60 |
CC1(C)CCC(CC1)=CC(O)=O
|
|
| MolPort-013-566-425 |
0.60 |
OC(=O)C=CC1CCCCC1
|
|
| MolPort-001-790-618 |
0.60 |
CC1(C)C2CC1C(C=O)=CC2
|
|
| MolPort-019-937-078 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-039-338-353 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-524-878 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC(O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-020-005-953 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-002-550-644 |
0.60 |
O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1
|
|
| MolPort-028-599-905 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-002-904-272 |
0.60 |
CC12CCC(=O)C=C1CCC2=O
|
|
| MolPort-003-698-717 |
0.60 |
CC(C)\C=C/CCCCC(O)=O
|
|
| MolPort-046-588-250 |
0.60 |
CCC\C(=C/CC)C(O)=O
|
|
| MolPort-046-762-885 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-003-850-019 |
0.60 |
CCCC(=CCC)C(O)=O
|
|
| MolPort-003-915-965 |
0.60 |
CC1CCC(CC1)=CC(O)=O
|
|
| MolPort-006-666-093 |
0.60 |
C[C@@]12CCC(=O)C=C1CCC2=O
|
|
| MolPort-004-959-640 |
0.60 |
C[C@]12CCC(=O)C=C1CCC2=O
|
|
| MolPort-005-173-631 |
0.60 |
CC(=CC(O)=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-005-211-933 |
0.60 |
CC(C)(C)C1CCC(CC1)=CC(O)=O
|
|
| MolPort-035-705-927 |
0.60 |
C\C(CC[C@H]1C(=C)CC[C@H]2[C@](C)(CCC[C@]12C)C=O)=C/CO
|
|
| MolPort-035-706-389 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-386 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-319 |
0.60 |
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
|
|
| MolPort-006-110-398 |
0.60 |
CC(C)C1CCC(C)=CC1=O
|
|
| MolPort-006-111-348 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-006-124-549 |
0.60 |
C\C(=C/C(O)=O)C1CCCCC1
|
|
| MolPort-006-115-641 |
0.60 |
CCCC1CC(C)=CC(=O)C1
|
|
| MolPort-002-512-272 |
0.60 |
O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
|
|
| MolPort-002-538-677 |
0.60 |
O=C1C(CC2CCCC(C2=O)C2=CCCCC2)CCCC1C1=CCCCC1
|
|
| MolPort-002-130-829 |
0.60 |
OC1(CCCCC1)\C=C\C1(O)CCCCC1
|
|
| MolPort-046-158-507 |
0.60 |
C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
|
|
| MolPort-019-937-217 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-042-675-461 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-001-794-306 |
0.60 |
CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
|
|
| MolPort-002-506-951 |
0.60 |
CCC[C@@H]1CC(C)=CC(=O)C1
|
|
| MolPort-044-183-134 |
0.60 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-002-486-942 |
0.60 |
C\C(=C/C(O)=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-002-145-731 |
0.60 |
OC(=O)C=C1C2CC3CC(C2)CC1C3
|
|
| MolPort-002-509-716 |
0.60 |
O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
|
|
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCCC(O)=O
|
|
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0.60 |
CC(C)=C1C[C@H]2C(CC[C@]2(C)O)=C(C)CC1=O
|
|
| MolPort-044-183-226 |
0.60 |
CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=C
|
|
| MolPort-035-706-216 |
0.60 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-044-183-330 |
0.60 |
CCCCC[C@@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CC(O)=O
|
|
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0.60 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
|
|
| MolPort-002-506-983 |
0.60 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-042-644-562 |
0.60 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
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0.60 |
CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-596-327 |
0.60 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-000-720-153 |
0.60 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-002-509-553 |
0.60 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-833-109 |
0.60 |
OC(=O)C1=C(C2CC1C=C2)C(O)=O
|
|
| MolPort-001-828-137 |
0.60 |
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-046-689-231 |
0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-005-945-347 |
0.60 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-423-222 |
0.60 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-701-786 |
0.60 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-006-395-031 |
0.60 |
COC(=O)[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21
|
|
| MolPort-046-792-919 |
0.60 |
CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)C\C(=C/O)C1=O
|
|
| MolPort-023-220-752 |
0.60 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
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|
| MolPort-020-005-851 |
0.60 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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|
| MolPort-021-804-571 |
0.60 |
CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
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|
| MolPort-035-679-062 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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0.60 |
CC1=CC(C)(C)C(C(C1)C(O)=O)C(O)=O
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|
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0.60 |
CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
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|
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0.60 |
CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
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|
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0.60 |
CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
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|
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0.60 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
|
|
| MolPort-002-114-330 |
0.60 |
CC1C=C(C)CC(C1C(O)=O)C(O)=O
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|
| MolPort-035-706-207 |
0.60 |
CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
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|
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0.60 |
CC1CC2C(C3C=C(CO)C(O)C4(O)C(O)C(C)=CC14C3=O)C2(C)C
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0.60 |
CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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0.60 |
CC1(C)CCCC2=C1CC(C(C2)C(O)=O)C(O)=O
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0.60 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)CC[C@H]12
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|
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CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.60 |
C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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|
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0.60 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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|
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0.60 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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|
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0.60 |
C[C@]1(O)CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
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0.60 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]2C1)C(O)=O
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|
| MolPort-002-512-842 |
0.60 |
CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
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0.60 |
C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
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|
| MolPort-027-836-470 |
0.60 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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0.60 |
C[C@@H]1C[C@@H]2[C@H](C3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=CC14C3=O)C2(C)C
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]3(C)CCC3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
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[2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3C(=C)C[C@]12CC
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0.60 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
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0.60 |
CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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0.60 |
CC(=O)C1CC=C(C)C(=O)C1
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0.60 |
CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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0.60 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC=C2C(=O)CO
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0.60 |
C[C@@]1(CO)CC=C[C@@]2(C)C1=C(O)C(=O)C1=C[C@](C)(CC[C@]21O)C=C
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CC1(C)CCCC(=C)C11CCC(C=O)=CC1
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C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](O)C(C)=C[C@@]14C3=O)C2(C)C
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
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| MolPort-002-159-548 |
0.60 |
CCCCC1(CC(C)=C(C)CC1C(O)=O)C(O)=O
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|
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0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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0.60 |
CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
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0.60 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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0.60 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MCULE-6805519453 |
0.60 |
[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
|
|
| MCULE-3600048668 |
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[C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
|
|
| MCULE-5535106408 |
0.60 |
C1=C[C@]2(C)[C@@]3(O)CC[C@](C)(C=C)C=C3C(=O)C(O)=C2[C@](C)(CO)C1
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|
| MCULE-6114441516 |
0.60 |
COC1C(C(C2CCCCCC=2)=O)C1
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|
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0.60 |
C123[C@H](C)C[C@H]4C(C)(C)[C@H]4C(C1=O)C=C(CO)[C@@H](O)[C@]2(O)[C@@H](O)C(C)=C3
|
|
| MCULE-9033140847 |
0.60 |
[C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
|
|
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0.60 |
CCC12C(C#C)(O)CCC1C1CCC3C(C1C(=C)C2)CCC(=O)C=3
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|
| MCULE-9454333017 |
0.60 |
[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
|
|
| MCULE-9801536119 |
0.60 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
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|
| MCULE-4280394560 |
0.60 |
C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
|
|
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0.60 |
O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
|
|
| MCULE-8392723345 |
0.60 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-8467018550 |
0.60 |
CC(C(O)=O)=C1C2(CCCC2)CC1
|
|
| MCULE-4609643145 |
0.60 |
C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
|
|
| MCULE-8464956672 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-3857929176 |
0.60 |
O=C1C=C(CC2C3C=CC(CC3)C2)CC1
|
|
| MCULE-9137191737 |
0.60 |
C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
|
|
| MCULE-4874634113 |
0.60 |
C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-1018439007 |
0.60 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
|
|
| MCULE-8107340389 |
0.60 |
C12CC(=O)C(C)=C1CC(C(C(=O)O)=C)C(O)CC2C
|
|
| MCULE-2170508823 |
0.60 |
C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
|
|
| MCULE-7051793102 |
0.60 |
C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
|
|
| MCULE-2991720663 |
0.60 |
C123C(C([H])(O)C1=O)(CC=CC2)CC=CC3
|
|
| MCULE-4967718175 |
0.60 |
C1([C@H](O)C[C@](C(=O)C=1)(C)O)/C=C/C(C)(C)O
|
|
| MCULE-9660798204 |
0.60 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-8553893906 |
0.60 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
|
|
| MCULE-7772727437 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-5015030206 |
0.60 |
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-2588037072 |
0.60 |
C([C@@H]1CCC(=NO)[C@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
|
|
| MCULE-1159166918 |
0.60 |
[C@]12(C)C[C@]([H])(O)[C@]3([C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)O)[H]
|
|
| MCULE-5243784193 |
0.60 |
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-8516870635 |
0.60 |
[C@]12(O)CC[C@]3(C(CC[C@]3(O)C#N)C1CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-8267556474 |
0.60 |
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-9771385800 |
0.60 |
C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(CC(CC2)O)=CC3=O)[H])([H])CC1)CCCC(C(F)(F)F)(F)C(F)(F)F
|
|
| MCULE-5670150971 |
0.60 |
C(/C=C\CC)C(C(O)/C=C/C(O)CCCCCCCC(=O)O)O
|
|
| MCULE-9416273604 |
0.60 |
CC1(CC[C@@]2(C(=O)O)[C@H](C3=C(CC2)[C@@]2(CC[C@H]4[C@@](C(=O)O)(C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]2CC3)C)C1)C
|
|
| MCULE-9439225491 |
0.60 |
CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
|
|
| MCULE-7507181537 |
0.60 |
[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-3588728893 |
0.60 |
C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
|
|
| MCULE-6949149768 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
|
|
| MCULE-7221302841 |
0.60 |
CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
|
|
| MCULE-1387113476 |
0.60 |
C12CCC(O)C=C1CCCC2O
|
|
| MCULE-9297462921 |
0.60 |
C12(C)CCC(O)C=C1CCCC2O
|
|
| MCULE-4777198621 |
0.60 |
CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
|
|
| MCULE-3710984096 |
0.60 |
C1CC2(C)C3CCC4(C)C(C(/C=C/C(C(O)C)C(C)C)C)CCC4C3C(O)C=C2CC1O
|
|
| MCULE-9038016383 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
|
|
| MCULE-3983794608 |
0.60 |
OC1C(=O)CCC=1CC
|
|
| MCULE-6029934866 |
0.60 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C([C@@H]([C@H](CC2)O)O)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-3305395898 |
0.60 |
C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
|
|
| MCULE-2038225383 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2[C@@H](O)[C@H]1O
|
|
| MCULE-9958324589 |
0.60 |
C1CCCC=C1C(=O)C
|
|
| MCULE-9444397237 |
0.60 |
C1CCC(=O)C=CCCC1
|
|
| MCULE-5040560976 |
0.60 |
O=C1C(=CC(CC)CC)CCCC1
|
|
| MCULE-7389041577 |
0.60 |
CC1=C(CC=O)C(C)(C)CCC1
|
|
| MCULE-3433190262 |
0.60 |
C1(CCCCCCCCCCC=1)C(C)=O
|
|
| MCULE-6881426714 |
0.60 |
O=C1CCCCC1=CCCCC
|
|
| MCULE-9285433930 |
0.60 |
C1(CCCCC=1)C(CC)=O
|
|
| MCULE-2325358551 |
0.60 |
C1(C(CC)=O)C(C)=CCC(C(C)C)C1
|
|
| MCULE-2644888783 |
0.60 |
C(=O)(CC(C)C)C1CCCCC=1
|
|
| MCULE-4428185983 |
0.60 |
C1(CCCCC1=O)=CCC(C)C
|
|
| MCULE-7375388626 |
0.60 |
C1(CCCCC=1)C(CCC)=O
|
|
| MCULE-5034253909 |
0.60 |
C(C(C)C)(=O)C1CCCCC=1
|
|
| MCULE-3035020921 |
0.60 |
C1CCCCC=C(C=O)C1
|
|
| MCULE-3817844296 |
0.60 |
OC/C=C(\C)/CC[C@@H]1[C@]2(C)[C@H](C(C)(C)CCC2)CC[C@@]1(C)O
|
|
| MCULE-3195811210 |
0.60 |
OC1(C=CCCC1)CC1CC=CC1
|
|
| MCULE-4284204201 |
0.60 |
OC(C=CC1CCCCC1)=O
|
|
| MCULE-9290289108 |
0.60 |
C1(C)C(=O)C=CC(C(C)C)C1
|
|
| MCULE-9881433750 |
0.60 |
CC(CC1CCCCC1)=CC(O)=O
|
|
| MCULE-6492056036 |
0.60 |
OC(C=CC1C2CC3CC(C2)CC1C3)=O
|
|
| MCULE-6657971505 |
0.60 |
CC1(C(=CC(O)=O)CCCC1)C
|
|
| MCULE-1110457062 |
0.60 |
OC(C1CCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-4612727757 |
0.60 |
C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
|
|
| MCULE-3408838682 |
0.60 |
O=C(/C=C/C1CCCCC1)O
|
|
| MCULE-1887138472 |
0.60 |
O=C1C(C)C(CC)C(C)C(CC)=C1
|
|
| MCULE-2750952157 |
0.60 |
O=C(C1CCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-9894286158 |
0.60 |
O=C(C1CCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-9153738942 |
0.60 |
C(CCCCC=CC(C)C)(O)=O
|
|
| MCULE-5924936253 |
0.60 |
CC1CC(C(C2CCCCC=2)=O)C1
|
|
| MCULE-6313856149 |
0.60 |
CC1CC(C(C2CCCCC=2)O)C1
|
|
| MCULE-1903986936 |
0.60 |
CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
|
|
| MCULE-1521149204 |
0.60 |
CC(C1CCCCC1)=CC(O)=O
|
|
| MCULE-5421418726 |
0.60 |
C1CC2CCCC=C2C(C)(C)C1=O
|
|
| MCULE-9392368882 |
0.60 |
C1=CC(CCC1(CCC)CCC)=O
|
|
| MCULE-9111462538 |
0.60 |
O=C1C(C)(C)C2=CCCCC2(C)CC1
|
|
| MCULE-7174333293 |
0.60 |
C1C(C[C@@H](CC=1C)CCC)=O
|
|
| MCULE-6973355480 |
0.60 |
C1C[C@](C)(C2[C@@](C)([C@@H](CC/C(=C/CO)/C)C(CC2)=C)C1)C=O
|
|
| MCULE-5583031618 |
0.60 |
CC1(CC/C(=C/C(O)=O)/CC1)C
|
|
| MCULE-1068654284 |
0.60 |
CC(C(C1CCCCC=1)=O)C1CCC1
|
|
| MCULE-4923642243 |
0.60 |
C1(CO)=C(C)CC2CC1C2(C)C
|
|
| MCULE-7495390356 |
0.60 |
C1(=O)C(CCCC1C1CCCCC=1)CC1CCCC(C2CCCCC=2)C1=O
|
|
| MCULE-6569061785 |
0.60 |
C1C2C(C1CC=C2C=O)(C)C
|
|
| MCULE-9861301536 |
0.60 |
C1C(CC(CC=1C)CCC)=O
|
|
| MCULE-7791473919 |
0.60 |
C(C1(CCCCC1)O)=CC1(CCCCC1)O
|
|
| MCULE-9928521209 |
0.60 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C=O)C1
|
|
| MCULE-9551990259 |
0.60 |
CC1=CC(=O)CC(CC)C1
|
|
| MCULE-3636319201 |
0.60 |
OC(C=CC1C2CCC(CC2)C1)=O
|
|
| MCULE-7700432494 |
0.60 |
O=C(C1CCCCC=1)C1C2(CC2)C1
|
|
| MCULE-7633761938 |
0.60 |
C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
|
|
| MCULE-1780641937 |
0.60 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-3800481886 |
0.60 |
C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-9211922250 |
0.60 |
C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
|
|
| MCULE-5099561644 |
0.60 |
O=C1CCC2=CC(CC[C@@]21C)=O
|
|
| MCULE-9487562113 |
0.60 |
[C@@]12(C)CCC(=O)C=C1CCC2=O
|
|
| MCULE-8456618809 |
0.60 |
C12(C)CCC(=O)C=C1CCC2=O
|
|
| MCULE-1067283755 |
0.60 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-3460481488 |
0.60 |
C1(=O)C=C2[C@](C)(C(=O)CC2)CC1
|
|
| MCULE-1602610126 |
0.60 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
|
|
| MCULE-6409888378 |
0.60 |
C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
|
|
| MCULE-5173487034 |
0.60 |
C1C2CC(C=CC2=O)C(=O)C=1
|
|
| MCULE-3614931522 |
0.60 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
|
|
| MCULE-2675118265 |
0.60 |
C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
|
|
| MCULE-7681373121 |
0.60 |
OC(C1CCC(=O)C=1)=O
|
|
| MCULE-2299251979 |
0.60 |
C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
|
|
| MCULE-3490442378 |
0.60 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-9320911552 |
0.60 |
CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
|
|
| MCULE-5967637309 |
0.60 |
O=C1C(O)=C(C2C(O)CCC2)CC1
|
|
| MCULE-1531956184 |
0.60 |
C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-4825273969 |
0.60 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-7592737892 |
0.60 |
C1(C(=O)O)C2C=CC(C2)C=1C(=O)O
|
|
| MCULE-8460337326 |
0.60 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-9221802987 |
0.60 |
C12(CCC1)CC(=C2C(C(F)(F)F)O)C(=O)O
|
|
| MCULE-7409296969 |
0.60 |
[C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-3655751389 |
0.60 |
[C@]12(O[C@@H]1C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C)C(=O)C
|
|
| MCULE-6632272840 |
0.60 |
O=C1C2(C)C=CC(C1(O)C)C1C(C)=C(O)C(C)=CC12
|
|
| MCULE-1216188840 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MCULE-5192807992 |
0.60 |
[C@@H]1(C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](O)(C(=O)C=CC(C)(C)OC(=O)C)C)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O)O
|
|
| MCULE-7414589561 |
0.60 |
[C@H]1(O)C[C@]2([H])C(C(C)(C)C1=O)=CC[C@]1([H])[C@]2(C(=O)C[C@@]2([C@@]([H])([C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C)[C@@H](C[C@@]12C)O)C)C
|
|
| MCULE-8354691781 |
0.60 |
[C@H]1(O)C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@](O)(C)C(=O)C=CC(C)(C)OC(C)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O
|
|
| MCULE-8099197121 |
0.60 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-9740579162 |
0.60 |
C1(C(C)=O)CC(=O)C(C)=CC1
|
|
| MCULE-6554740274 |
0.60 |
CC1C23C=C(C)C(O)C2(O)C(O)C(CO)=CC(C3=O)C2C(C)(C)C2C1
|
|
| MCULE-7083384019 |
0.60 |
CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
|
|
| MCULE-3848588178 |
0.60 |
O[C@@]12[C@H](C(C)=C[C@]31[C@@H](C[C@H]1C(C)(C)[C@H]1[C@@]([H])(C3=O)C=C(CO)[C@H]2O)C)O
|
|
| MCULE-4272187140 |
0.60 |
C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-5384019764 |
0.60 |
C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
|
|
| MCULE-1900386533 |
0.60 |
C1[C@]2([H])[C@@]3([H])C(=C)C[C@@]4(CC)[C@@]([H])(CC[C@]4(C#C)O)[C@]3([H])CCC2=CC(=O)C1
|
|
| MCULE-2318177037 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
|
|
| MCULE-2123440957 |
0.60 |
CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
|
|
| MCULE-4339982355 |
0.60 |
CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCC(=O)C=3
|
|
| MCULE-8052468805 |
0.60 |
C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
|
|
| MCULE-1320768870 |
0.60 |
CC1(C(C(C=CC(O)=O)=O)C1)C
|
|
| MCULE-4601922145 |
0.60 |
C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O
|
|
| MCULE-7933835085 |
0.60 |
[C@@]12(C)[C@](O)(CCC1C1C(C(O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-7535047148 |
0.60 |
CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
|
|
| MCULE-6135208734 |
0.60 |
CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
|
|
| MCULE-1235419293 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
|
|
| MCULE-6588005387 |
0.60 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
|
|
| MCULE-2445591436 |
0.60 |
C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
|
|
| MCULE-3768279019 |
0.60 |
CC1C(C(C=CC(O)=O)=O)C1
|
|
| MCULE-4002345426 |
0.60 |
C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
|
|
| MCULE-8706542409 |
0.60 |
C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
|
|
| MCULE-2344630269 |
0.60 |
C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-4775236455 |
0.60 |
CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
|
|
| MCULE-7550164871 |
0.60 |
OC(C=CC(C1CCC1)=O)=O
|
|
| MCULE-3580664146 |
0.60 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
