| MolPort-002-911-074 |
0.94 |
CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
|
|
| MCULE-4824360118 |
0.94 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MolPort-044-723-304 |
0.93 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-039-338-228 |
0.93 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-004-963-698 |
0.91 |
CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
|
|
| MolPort-001-742-676 |
0.91 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| MCULE-9952768892 |
0.91 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| MCULE-8302542414 |
0.90 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H]
|
|
| MCULE-4827454681 |
0.90 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
|
|
| MCULE-9817372120 |
0.90 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
|
|
| MCULE-1216188840 |
0.90 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MolPort-001-740-398 |
0.89 |
CC1[C@@H]2CC\C(=C\CC\C(C)=C\[C@H]2OC1=O)C(O)=O
|
|
| MolPort-005-945-288 |
0.88 |
CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
|
|
| MolPort-005-945-281 |
0.88 |
CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MCULE-2738564503 |
0.88 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
|
|
| MCULE-7326161622 |
0.88 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
|
|
| MCULE-8148008657 |
0.88 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C)=CC2=O)C1)C
|
|
| MolPort-002-800-191 |
0.87 |
CC(=O)OC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MCULE-6359752884 |
0.87 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C
|
|
| MCULE-7501478721 |
0.87 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C=O)=CC2)C1)C
|
|
| MCULE-1524945873 |
0.87 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
|
|
| MolPort-005-945-283 |
0.87 |
CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-044-723-187 |
0.87 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-044-723-188 |
0.87 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-001-740-719 |
0.87 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-039-338-173 |
0.87 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-044-545-969 |
0.87 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
|
|
| MolPort-035-705-809 |
0.87 |
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C
|
|
| MCULE-7772391429 |
0.86 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-8810317888 |
0.86 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1
|
|
| MolPort-002-525-199 |
0.85 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MCULE-2858651865 |
0.85 |
O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O
|
|
| MCULE-7503740182 |
0.85 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-2876588696 |
0.85 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MolPort-027-853-729 |
0.84 |
CC1=C2CC3C(=C)CCCC3(C)CC2OC1=O
|
|
| MolPort-001-739-842 |
0.84 |
CC1=C2CC3C(=C)C(O)CCC3(C)CC2OC1=O
|
|
| MolPort-046-510-442 |
0.84 |
O=C1OC(=O)C2=C1CCCCCC2
|
|
| MolPort-023-220-734 |
0.84 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O
|
|
| MCULE-8879489618 |
0.84 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1
|
|
| MCULE-7048270500 |
0.84 |
C1CC2(C)CC3OC(=O)C(C)=C3CC2C(=C)C1O
|
|
| MCULE-3320650867 |
0.84 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-2276317128 |
0.84 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-9035965650 |
0.84 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-3998827933 |
0.84 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-1014190195 |
0.84 |
C1(OCC(=C1C)CCCCC(=O)O)=O
|
|
| MCULE-1868424196 |
0.84 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MolPort-001-742-311 |
0.84 |
C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
|
|
| MolPort-001-740-957 |
0.84 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
|
|
| MolPort-027-720-870 |
0.84 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
|
|
| MolPort-019-937-355 |
0.84 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
|
|
| MolPort-046-762-705 |
0.83 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-039-338-233 |
0.83 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-006-391-771 |
0.83 |
COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
|
|
| MCULE-1699204347 |
0.83 |
C1(=O)C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
|
|
| MCULE-9616259526 |
0.83 |
C12CCCCCC=1C(=O)OC2=O
|
|
| MCULE-3752800864 |
0.83 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-1022445986 |
0.83 |
C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C
|
|
| MCULE-1158671172 |
0.83 |
O1C(=O)C2=C(CCCC2)C1=O
|
|
| MCULE-9966949324 |
0.83 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MolPort-035-918-675 |
0.83 |
O=C1OC(=O)C2=C1CCCCC2
|
|
| MolPort-027-935-414 |
0.83 |
CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-001-739-739 |
0.83 |
CC1C2C(O)C(=O)C3(C)C(CCC4\C(C(CC34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)C2(C)CCC1=O
|
|
| MolPort-002-501-600 |
0.83 |
O=C1OC(=O)C2=C1CCCC2
|
|
| MolPort-035-706-205 |
0.83 |
CC(C)[C@H]1[C@H]2C=C(C)[C@H](C[C@H]2[C@H](C)CC1=O)OC(C)=O
|
|
| MolPort-005-945-282 |
0.83 |
CC(=O)OC\C(CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-046-418-946 |
0.82 |
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC
|
|
| MolPort-029-943-072 |
0.82 |
C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
|
|
| MCULE-8771172896 |
0.82 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-2094560228 |
0.82 |
C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C
|
|
| MCULE-3183629646 |
0.82 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| MCULE-2442515222 |
0.82 |
C1C[C@]2([H])[C@@](C)(CCC3=CCOC3=O)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-6477809398 |
0.82 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2
|
|
| MolPort-005-944-045 |
0.82 |
C[C@H]1[C@@H]2[C@H](O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MolPort-039-338-433 |
0.82 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=CCOC1=O
|
|
| MolPort-035-705-816 |
0.82 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O
|
|
| MolPort-005-938-522 |
0.81 |
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1
|
|
| MolPort-046-765-335 |
0.81 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(=O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-046-761-503 |
0.81 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H](C(=O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-046-762-702 |
0.81 |
C[C@@H]1[C@H]2CC[C@]3(C)[C@@H]([C@@H](O)C[C@@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-046-762-703 |
0.81 |
C[C@H]1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-046-690-262 |
0.81 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H]([C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-001-740-438 |
0.81 |
C\C1=C/CCC2=CC(C\C(C)=C\C3OC(=O)C(=C)C3CC1)OC2=O
|
|
| MCULE-9705119087 |
0.81 |
[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
|
|
| MCULE-1414577822 |
0.81 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
|
|
| MCULE-6317272202 |
0.81 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-5979426935 |
0.81 |
C12C(C)(C)CCCC1(C)OC(=O)C=2
|
|
| MCULE-2185361459 |
0.81 |
O1C(C=C2[C@@]1(C)CCCC2(C)C)=O
|
|
| MCULE-5214550861 |
0.81 |
C12C(C)(C)CCC[C@]1(C)OC(=O)C=2
|
|
| MCULE-7541323970 |
0.81 |
C1C(=O)OC(CCCCCC(C(=O)C)C)C=1
|
|
| MCULE-4858829873 |
0.81 |
CC1(C)C2=CC(O[C@]2(C)CCC1)=O
|
|
| MolPort-021-804-698 |
0.81 |
C\C=C(\C)C(=O)OCC(CCO)CCC1(C)C(C)CCC2(CO)C1CCC=C2COC(=O)CCC(O)=O
|
|
| MolPort-019-992-901 |
0.81 |
C[C@@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-029-943-123 |
0.81 |
CC(CCCCCC1OC(=O)C=C1)C(C)=O
|
|
| MolPort-027-835-895 |
0.81 |
C[C@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-006-121-402 |
0.81 |
CC12CCCC(C)(C)C1=CC(=O)O2
|
|
| MCULE-3449642272 |
0.80 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-6089943254 |
0.80 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
|
|
| MCULE-8921610933 |
0.80 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])/C(/[C@@H](OC(=O)C)C[C@]21C)=C(/C(=O)O)\CC/C=C(/C)\C)O)O
|
|
| MCULE-1659372694 |
0.80 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@H](O)C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)O)CC/C=C(/C)\C)O
|
|
| MCULE-4668660484 |
0.80 |
C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C
|
|
| MCULE-4654267035 |
0.80 |
C12(C)CC(C(=C(CC/C=C(\C)/C)C(O)=O)C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-7302182157 |
0.80 |
C1(=O)C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-9301632354 |
0.80 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-6440147345 |
0.80 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-2058016705 |
0.80 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-3732438270 |
0.80 |
C(O)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-1052258564 |
0.80 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
|
|
| MCULE-9801536119 |
0.80 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MolPort-006-117-806 |
0.80 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
|
|
| MolPort-038-386-730 |
0.80 |
C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-792-816 |
0.80 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC(O)C(C)(C)O)C(O)=O
|
|
| MolPort-044-723-717 |
0.80 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C(O)=O
|
|
| MolPort-038-942-576 |
0.80 |
C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@@H]2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
|
|
| MolPort-002-964-476 |
0.80 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-046-764-551 |
0.80 |
[2H]C([2H])([2H])C(=CCC\C(C(O)=O)=C1/[C@H](C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@]21C)OC(C)=O)C([2H])([2H])[2H]
|
|
| MolPort-001-934-122 |
0.80 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-039-338-801 |
0.80 |
CC([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C1CC=C(C)C(=O)O1
|
|
| MolPort-016-633-200 |
0.80 |
CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-044-561-229 |
0.80 |
C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-039-338-230 |
0.80 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-035-706-200 |
0.80 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C
|
|
| MolPort-046-701-494 |
0.80 |
CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-004-964-842 |
0.80 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-002-524-221 |
0.80 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-158-543 |
0.80 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MolPort-009-758-696 |
0.80 |
C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-001-742-448 |
0.80 |
COC(=O)\C=C(\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O
|
|
| MolPort-002-507-204 |
0.79 |
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-000-700-683 |
0.79 |
C[C@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-003-351-312 |
0.79 |
CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O
|
|
| MolPort-010-699-798 |
0.79 |
C[C@@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@H]2OC1=O
|
|
| MolPort-029-942-969 |
0.79 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3CC12C
|
|
| MolPort-039-338-474 |
0.79 |
C[C@]1(CC[C@]2(C)[C@@H](C1)CCC(C)(C)[C@H]1OC(=O)C=C21)C=C
|
|
| MolPort-002-509-690 |
0.79 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CCC2=C1
|
|
| MolPort-029-999-415 |
0.79 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MolPort-005-945-683 |
0.79 |
CC12CCCC(C)(C1CCC(=C)C2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-006-113-476 |
0.79 |
CCOC(=O)C1=CCCCC1
|
|
| MolPort-035-705-906 |
0.79 |
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-005-945-684 |
0.79 |
COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-039-052-550 |
0.79 |
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-005-944-967 |
0.79 |
C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-005-943-994 |
0.79 |
C[C@H]1[C@@H]2[C@H](OC(C)=O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MCULE-7515529172 |
0.79 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
|
|
| MCULE-3223183548 |
0.79 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-2255903955 |
0.79 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O
|
|
| MCULE-4974199679 |
0.79 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-4827912965 |
0.79 |
CC/C(=C/C(=O)O[C@H]1C(=C)[C@@]2(CC(=O)/C(=C\C)/[C@@]2([H])[C@H](C(C)C)C1)[H])/C
|
|
| MCULE-2286713902 |
0.79 |
C1C(OC(C)=O)C2(C(CC3C(OC(=O)C=3C)C2)C(=C)C1)C
|
|
| MCULE-1819290201 |
0.79 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-8091940383 |
0.79 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-3178410726 |
0.79 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1
|
|
| MCULE-3965188829 |
0.79 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C
|
|
| MCULE-1310747899 |
0.79 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1
|
|
| MCULE-7252099279 |
0.79 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C
|
|
| MCULE-2041000423 |
0.79 |
[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1(C)C[C@@H](/C/3=C(/CC/C=C(/C)\C)\C(O)=O)OC(C)=O)[C@@]1(C)C=CC([C@@H](C)[C@@]1([C@H](OC(C)=O)C2=O)[H])=O
|
|
| MCULE-9894416903 |
0.79 |
C1CC2(C)C3(CCC(C=C)(C)C=C3C(O)=O)OC(=O)C2C(C)(C)C1
|
|
| MCULE-6831179748 |
0.79 |
[Na+].[C@]12(C)CC[C@@]3([H])[C@H](C)[C@H](O)CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)[O-])CC/C=C(/C)\C)O
|
|
| MCULE-8381855401 |
0.79 |
O[C@@H]1C[C@H]2/C(/[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]3[C@H](C)[C@H](O)CC[C@]3(C)[C@H]12)OC(C)=O)=C(/C([O-])=O)\CC/C=C(/C)\C.[Na+]
|
|
| MCULE-9599862192 |
0.79 |
[Na+].C12(C)CC(C(=C(CC/C=C(/C)\C)C(=O)[O-])C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-9055590032 |
0.79 |
[Na+].[C@]12(C)C[C@@H](C(=C(CC/C=C(/C)\C)C(=O)[O-])[C@]1([H])C[C@H]([C@]1([H])[C@]2(C)CC[C@@]2([C@]1(C)CC[C@@H](O)[C@H]2C)[H])O)OC(C)=O
|
|
| MCULE-8399347131 |
0.79 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(C)CCC(=O)C2)C1COC(=O)C=1
|
|
| MCULE-6799888455 |
0.79 |
C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-1226258144 |
0.79 |
C(OC)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-5189438807 |
0.79 |
C1(C(C(/C=C(/C)\CCC2OC(=O)C=C2C)=O)C(C(C(C(O)/C=C(/C)\C)=O)C)CC1)C
|
|
| MCULE-9530340790 |
0.79 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C
|
|
| MolPort-044-723-790 |
0.79 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C([O-])=O
|
|
| MolPort-002-524-580 |
0.79 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-003-938-775 |
0.79 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-000-707-568 |
0.79 |
[Na+].C[C@@H]1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-023-333-208 |
0.79 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)C2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-039-338-360 |
0.79 |
CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2C(=O)O[C@@H]1O
|
|
| MolPort-002-521-219 |
0.79 |
C[C@]12CCC3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-021-804-785 |
0.79 |
CC1CC\C=C(C)\CC2OC(=O)C(C)=C2CC1=O
|
|
| MolPort-002-800-183 |
0.79 |
CCOC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-019-937-216 |
0.78 |
CC\C=C/CC1C(=O)C=CC1(CCCCC1CCC(=O)O1)OC(C)=O
|
|
| MolPort-007-549-139 |
0.78 |
CC12CC[C@H]3[C@@H](CCC(=O)CC(O)CCC3=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MCULE-7768501355 |
0.78 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6534243824 |
0.78 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-5823109002 |
0.78 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-4569544045 |
0.78 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-8051121697 |
0.78 |
C1(=CC(=O)OCC2C3CCC(C3(C)C)(C)C2=O)C2CCC(C2(C)C)(C)C1=O
|
|
| MCULE-7613417621 |
0.78 |
O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1
|
|
| MCULE-3090499793 |
0.78 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-4172470592 |
0.78 |
C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
|
|
| MCULE-1592446720 |
0.78 |
C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C
|
|
| MCULE-7577519245 |
0.78 |
C1(=O)C(C)=C(CO1)CCCCC(O)C(C)O
|
|
| MCULE-5854292644 |
0.78 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1
|
|
| MCULE-2616323149 |
0.78 |
O=C(CCCC/C=C1/C(CCCCCCCCCCCCC)OC/1=O)N
|
|
| MCULE-1305866944 |
0.78 |
O1C2C(C3CCCC=3C1=O)CCCC2
|
|
| MCULE-3762190089 |
0.78 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MCULE-3087856332 |
0.78 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C=O)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-7505841337 |
0.78 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MCULE-5243784193 |
0.78 |
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-5015030206 |
0.78 |
CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O
|
|
| MCULE-8267556474 |
0.78 |
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-5751414985 |
0.78 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MolPort-001-742-639 |
0.78 |
C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-046-702-138 |
0.78 |
CC1(CO)C(O)CCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-020-005-706 |
0.78 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-005-944-410 |
0.78 |
CC(O)C(O)CCCCC1=C(C)C(=O)OC1
|
|
| MolPort-044-561-427 |
0.78 |
CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
|
|
| MolPort-007-549-411 |
0.78 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-001-742-456 |
0.78 |
CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
|
|
| MolPort-001-742-402 |
0.78 |
CC(=O)OCC1=CCC2C(C)(C)CCCC2(C)C11CCC(C)(CC(O)=O)O1
|
|
| MolPort-002-527-393 |
0.78 |
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-023-221-738 |
0.78 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-035-705-917 |
0.78 |
CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CC[C@@H]12
|
|
| MolPort-003-935-397 |
0.78 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-001-742-574 |
0.77 |
CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1
|
|
| MolPort-044-724-399 |
0.77 |
CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O
|
|
| MolPort-001-741-161 |
0.77 |
CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(COC(C)=O)=C\COC(C)=O)C(O)=O
|
|
| MolPort-002-507-199 |
0.77 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-044-179-830 |
0.77 |
C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-005-945-240 |
0.77 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
|
|
| MolPort-046-153-715 |
0.77 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-028-602-674 |
0.77 |
CCOC(=O)\C=C1/C[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@@]32C)C(C)(C)C1=O
|
|
| MolPort-046-697-193 |
0.77 |
CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
|
|
| MolPort-039-052-352 |
0.77 |
C[C@H]1OC(=O)[C@@H](C)C1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-020-005-955 |
0.77 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-741-220 |
0.77 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-559-975 |
0.77 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(O)C(O)CC4(C)[C@H]3CCC12C
|
|
| MCULE-5470759504 |
0.77 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
|
|
| MCULE-8124558417 |
0.77 |
C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C
|
|
| MCULE-9364352705 |
0.77 |
C12CC3(CC3)CC=1C(=O)OC2=O
|
|
| MCULE-7025819167 |
0.77 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
|
|
| MCULE-3300544479 |
0.77 |
C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C
|
|
| MCULE-9439093573 |
0.77 |
[C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-9207728452 |
0.77 |
CC1(C2CCC3(C4(C)C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CC(=O)C3C2(C)CCC1OC(CCC(=O)O)=O)C)C
|
|
| MCULE-2234048518 |
0.77 |
CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-5234178765 |
0.77 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC=C4[C@]3([H])CC[C@@]2([H])C[C@H]1O
|
|
| MCULE-8234847813 |
0.77 |
[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-6426429596 |
0.77 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
|
|
| MCULE-5558502153 |
0.77 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-9439877737 |
0.77 |
O1[C@H](C)[C@@H](C[C@@H](O)[C@](O)([C@@H]2[C@@]3(C)CC[C@]4([H])[C@]5(C)[C@]([H])(C(=O)C=C4[C@]3(O)CC2)C[C@@H](O)[C@@H](O)C5)C)[C@H](C)C1=O
|
|
| MCULE-3716742475 |
0.77 |
[C@@H]1(C[C@@]2(C3CC[C@@]4([C@H](CC[C@]4(C3=CC([C@]2([H])C[C@H]1O)=O)O)[C@@]([C@H](O)C[C@@H]1[C@@H](C)OC(=O)[C@H]1C)(C)O)C)C)O
|
|
| MCULE-8753646114 |
0.77 |
[C@@]12(O)CC[C@H]([C@](O)(C)[C@H](O)C[C@H]3[C@H](C)C(=O)O[C@@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-2427659817 |
0.77 |
[C@]12(C)CC[C@@H](C=C1C=C[C@@]1([H])C3[C@@](C)([C@@]4(CC3)CCC(=O)O4)CCC12)OC(C)=O
|
|
| MCULE-1631535635 |
0.77 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MCULE-5994274398 |
0.77 |
CC(C#N)(COC(C1CCCCC=1)=O)C
|
|
| MCULE-2014190393 |
0.77 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C(O)=O
|
|
| MCULE-7118099436 |
0.77 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C=O
|
|
| MolPort-002-525-233 |
0.77 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3C=CC2=C1
|
|
| MolPort-046-596-254 |
0.77 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)C3C=CC2=C1
|
|
| MolPort-029-924-742 |
0.77 |
CC(C)(COC(=O)C1=CCCCC1)C#N
|
|
| MolPort-046-762-519 |
0.77 |
CC(=O)O[C@]1(CC[C@@H]2[C@@H]3[C@H]4O[C@H]4C4=CC(=O)[C@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-039-052-687 |
0.76 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12
|
|
| MolPort-027-640-917 |
0.76 |
CCCCC[C@@H]1OC(=O)CCC\C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2\C=C\1
|
|
| MolPort-029-937-842 |
0.76 |
O=C(OCC1CCOC1)C1=CCCCCC1
|
|
| MolPort-039-339-046 |
0.76 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-030-082-369 |
0.76 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-002-169-466 |
0.76 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
|
|
| MolPort-002-525-526 |
0.76 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-002-524-866 |
0.76 |
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-006-106-573 |
0.76 |
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-005-911-057 |
0.76 |
CC12CCC3C(CCC4CC(O)CCC34CO)C1=CCC2C1=CC(=O)OC1
|
|
| MolPort-005-933-646 |
0.76 |
[Na+].[Na+].CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-046-761-598 |
0.76 |
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MCULE-5929092480 |
0.76 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O
|
|
| MCULE-2357370492 |
0.76 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-9839017109 |
0.76 |
[C@]12(C)CCCC[C@]1([H])C(=C)C1[C@@]([H])(OC(C=1C)=O)C2
|
|
| MCULE-1536474229 |
0.76 |
O=C(C1CCCCCC=1)OCC1COCC1
|
|
| MCULE-1112041418 |
0.76 |
O=C1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C12)OC(C)=O)[H]
|
|
| MCULE-6443674630 |
0.76 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-3754202975 |
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)OC(C)=O)C
|
|
| MCULE-7135107425 |
0.76 |
[Na+].[Na+].[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-1502775418 |
0.76 |
C12=CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-1889700737 |
0.76 |
[Na+].CC12CCC3([H])C(C(OC(=O)CCC([O-])=O)CCC3(C)C1([H])C(C=C1C3([H])CC(C)(C(O)=O)CCC3(C)CCC21C)=O)(C)C
|
|
| MCULE-1665605717 |
0.76 |
[Na+].[Na+].CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-3176715940 |
0.76 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-1354886932 |
0.76 |
C1C[C@@]2([H])C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-8163822030 |
0.76 |
CC(OC(C1CCCCCC=1)=O)CC#N
|
|
| MCULE-6120787334 |
0.76 |
C12CC34CCCCC3(C=C1)C4C(=O)O2
|
|
| MCULE-8656866182 |
0.76 |
C12CC(C)(C)CC=1C(=O)OC2=O
|
|
| MCULE-6315971440 |
0.76 |
O1C(=O)C2=C(CCC2)C1=O
|
|
| MCULE-6660850303 |
0.76 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4895972010 |
0.76 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2104971598 |
0.76 |
C1C[C@]2(C)[C@@]([H])(CCC3=CC(=O)OC3O)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-2962714006 |
0.76 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(O)=O
|
|
| MCULE-7571794100 |
0.76 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2
|
|
| MCULE-4630794584 |
0.76 |
C12(C=O)CC[C@H](CC1(O)CC[C@@]1([H])CC3(C(C)(CC(C3)C3COC(=O)C=3)C[C@]21[H])O)O
|
|
| MCULE-6747628390 |
0.76 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-8902402936 |
0.76 |
CC1([C@@H]2C(COC(C3C4OC(CC4)C3)=O)=CC[C@H]1C2)C
|
|
| MCULE-7064805050 |
0.76 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCC)=O
|
|
| MCULE-8674366228 |
0.76 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-3941648652 |
0.76 |
C1(C(O)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-2460567264 |
0.76 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCCC)=O
|
|
| MCULE-2061017881 |
0.76 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C(C)(C)C)=O
|
|
| MCULE-9208930385 |
0.76 |
C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
|
|
| MCULE-3648597514 |
0.76 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C)=O
|
|
| MolPort-046-765-314 |
0.76 |
CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1
|
|
| MolPort-029-937-862 |
0.76 |
CC(CC#N)OC(=O)C1=CCCCCC1
|
|
| MolPort-035-834-808 |
0.76 |
CC1=CC(CC(C)(C)C1)OC(=O)CC1CCCO1
|
|
| MolPort-001-740-401 |
0.76 |
C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(C)=C3C[C@]12C
|
|
| MolPort-028-854-621 |
0.76 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@H](CC[C@]3(C)[C@H]1CC2O)OC(=O)CCC(O)=O)C1=CC(=O)OC1
|
|
| MolPort-023-221-547 |
0.76 |
CC12CCCC=C1C(=O)OC2=O
|
|
| MolPort-046-676-753 |
0.76 |
O=C1OC(=O)C2=CCCCC12
|
|
| MolPort-003-929-501 |
0.76 |
O=C1OC(=O)C2=C1CCC2
|
|
| MolPort-001-845-372 |
0.76 |
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-019-699-590 |
0.76 |
CC12CCC3C(CCC(C)(O)C3(C)C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-035-705-921 |
0.76 |
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CC(=O)OC1O)C(O)=O
|
|
| MolPort-007-549-412 |
0.76 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-019-699-559 |
0.76 |
CC12CCC3C(CCC4(O)CC(O)CCC34C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-526-048 |
0.76 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-367 |
0.76 |
CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-536-709 |
0.76 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-506-953 |
0.76 |
C[C@]12CCC3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-517-105 |
0.76 |
[NH4+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-510-188 |
0.76 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-015-135-814 |
0.76 |
CC12CC(CC1(O)C[C@@H]1CCC3(O)C[C@H](O)CCC3(C=O)[C@H]1C2)C1=CC(=O)OC1
|
|
| MolPort-001-742-346 |
0.76 |
C\C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)C(\C)=C/C)C(C)(C)C2C3C(C)=CC(=O)C2[C@]13C
|
|
| MolPort-001-742-347 |
0.76 |
C\C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C2(C)C3C(C2C(=O)C=C3C)C1(C)C
|
|
| MolPort-015-137-457 |
0.76 |
CC1=C(C(O)=O)C2(CCCCC2)OC1=O
|
|
| MolPort-035-742-837 |
0.76 |
CC1(C)[C@@H]2C[C@H]1C(COC(=O)C1CC3CCC1O3)=CC2
|
|
| MolPort-002-507-126 |
0.75 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-526-484 |
0.75 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-945-151 |
0.75 |
C[C@H]1CCCC2C(O)C3OC(=O)C(C)=C3C[C@]12C
|
|
| MolPort-021-804-645 |
0.75 |
CC(=O)OC1CCC2(C)CC3(O)OC(=O)C(C)=C3CC2C1=C
|
|
| MolPort-000-700-004 |
0.75 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-028-744-450 |
0.75 |
CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-005-937-956 |
0.75 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-020-005-664 |
0.75 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-002-525-874 |
0.75 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-510-452 |
0.75 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-044-754-157 |
0.75 |
CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1
|
|
| MCULE-8613188927 |
0.75 |
CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O
|
|
| MCULE-4529602980 |
0.75 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2
|
|
| MCULE-4772039176 |
0.75 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1
|
|
| MCULE-5488659453 |
0.75 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-3608441851 |
0.75 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-8407720746 |
0.75 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O
|
|
| MCULE-8392201259 |
0.75 |
C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
|
|
| MCULE-4909263569 |
0.75 |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-9323409980 |
0.75 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-5874149529 |
0.75 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
|
|
| MCULE-1044387998 |
0.75 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-5822421820 |
0.75 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-9630312174 |
0.75 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
|
|
| MCULE-7772727437 |
0.75 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-2384003351 |
0.75 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-8627319345 |
0.75 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O
|
|
| MCULE-7382046053 |
0.75 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O
|
|
| MCULE-9912732918 |
0.75 |
C1C[C@]2(C)[C@@]3([H])C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-5595198949 |
0.75 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(OC)=O
|
|
| MCULE-3821215089 |
0.75 |
C1C[C@@]2([C@]3(COC(/C(=C/C)/C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-6482288037 |
0.75 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C
|
|
| MCULE-9972205159 |
0.75 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(COC(/C(=C/C)/C)=O)[C@@]2(CO2)C1
|
|
| MCULE-7395356540 |
0.75 |
C1C[C@]2([H])[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)OC)C1
|
|
| MCULE-8457539977 |
0.75 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-8304268118 |
0.75 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-1316729655 |
0.75 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-9193800742 |
0.75 |
C1CC(OC(C)=O)C=CCCC1
|
|
| MCULE-6024774190 |
0.75 |
C1C(=O)OC(CCCCCC(CC)(O)C)C=1
|
|
| MCULE-9797478674 |
0.75 |
C1C(=O)OC(CCCCCC(C(O)C)C)C=1
|
|
| MCULE-6193394453 |
0.75 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(COC(=O)C)C1
|
|
| MCULE-5561830636 |
0.75 |
C1(=O)C=CC(CCCCCCCCCCCCC)O1
|
|
| MolPort-046-762-479 |
0.75 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-003-959-707 |
0.75 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-959-766 |
0.75 |
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-021-804-667 |
0.75 |
CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
|
|
| MolPort-000-726-176 |
0.75 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-003-959-637 |
0.75 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-046-793-259 |
0.75 |
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-019-995-532 |
0.75 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-402 |
0.75 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-850-422 |
0.75 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-706-335 |
0.75 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-042-652-640 |
0.75 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
|
|
| MolPort-046-690-071 |
0.75 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-019-992-388 |
0.75 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-006-111-246 |
0.75 |
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MCULE-9035451811 |
0.75 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-1739744430 |
0.75 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-8258665383 |
0.75 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1=C)OC(=O)C
|
|
| MCULE-9760230651 |
0.75 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-7096460548 |
0.75 |
C1C[C@@]2([H])C(=CC1=O)CC[C@]1([C@@]3([H])[C@@](CC[C@]21[H])(C)[C@@](OC(=O)C)(C(=O)C)C(=C)C3)[H]
|
|
| MCULE-6120531049 |
0.75 |
C1CC2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
|
|
| MCULE-9995877189 |
0.75 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-4547933367 |
0.75 |
C1CC2C(O)C3OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-4660404446 |
0.75 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(C)CC)C4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-2751425383 |
0.75 |
O1[C@@]2(O)C[C@@]3(C)CCCC(=C)[C@]3([H])CC2=C(C)C1=O
|
|
| MCULE-7045925975 |
0.75 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-9000317976 |
0.75 |
O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1
|
|
| MCULE-5866611081 |
0.75 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-1602734224 |
0.75 |
O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MolPort-035-705-834 |
0.75 |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1OC(C)=O
|
|
| MolPort-046-763-325 |
0.75 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CC3=O
|
|
| MolPort-044-183-474 |
0.75 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-044-754-158 |
0.75 |
C\C=C(/C)C(=O)OC[C@@]12[C@H](C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1)OC(C)=O
|
|
| MolPort-044-754-162 |
0.75 |
C\C=C(/C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
|
|
| MolPort-046-682-815 |
0.75 |
C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
|
|
| MolPort-002-510-060 |
0.75 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
|
|
| MolPort-009-757-723 |
0.75 |
[Co++].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-524-595 |
0.75 |
COC(=O)[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC[C@]12O)C1=CC(=O)OC1
|
|
| MolPort-039-338-558 |
0.75 |
COC(=O)C1CCC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C
|
|
| MolPort-035-706-554 |
0.75 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-023-274-376 |
0.75 |
CC(O)C(C)CCCCCC1OC(=O)C=C1
|
|
| MolPort-023-274-302 |
0.75 |
CCC(C)(O)CCCCCC1OC(=O)C=C1
|
|
| MolPort-035-705-909 |
0.75 |
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C
|
|
| MolPort-035-706-192 |
0.74 |
CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)C1=C2[C@H](O)OC1=O
|
|
| MolPort-006-668-578 |
0.74 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(O)OC1=O
|
|
| MolPort-029-924-741 |
0.74 |
O=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
|
|
| MolPort-046-153-176 |
0.74 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
| MolPort-003-845-305 |
0.74 |
C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-590-297 |
0.74 |
C[C@H]1CCC\C=C/C2C[C@H](O)C[C@H]2[C@H](O)\C=C/C(=O)O1
|
|
| MolPort-004-955-162 |
0.74 |
C[C@H]1CCC\C=C\C2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-002-227-778 |
0.74 |
CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1
|
|
| MolPort-046-701-388 |
0.74 |
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1
|
|
| MolPort-001-739-555 |
0.74 |
C[C@@H]1CCC\C=C\[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-761-891 |
0.74 |
C[C@H]1CCC\C=C/[C@@H]2C[C@H](O)C[C@@H]2C(O)\C=C\C(=O)O1
|
|
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0.74 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-529-747 |
0.74 |
CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-021-804-735 |
0.74 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-046-597-649 |
0.74 |
CCCC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-021-804-738 |
0.74 |
CC1=C2CC3C(CCC3(C)O)C(C)(O)CC2OC1=O
|
|
| MolPort-046-419-228 |
0.74 |
CCOC(=O)C1=CC2CCC1O2
|
|
| MolPort-000-773-895 |
0.74 |
CC1OC(=O)C(C)C1C[C@@H](OC(C)=O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-153-148 |
0.74 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MCULE-7237926274 |
0.74 |
C1CC2(C)C3C(O)OC(=O)C=3C(O)CC2C(C)(C)C1
|
|
| MCULE-9798772296 |
0.74 |
O=C(C1CCCCC=1)OC1CCC2(OCCO2)CC1
|
|
| MCULE-7055938722 |
0.74 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H]
|
|
| MCULE-5385404753 |
0.74 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-4388066404 |
0.74 |
C1[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]12[H]
|
|
| MCULE-7045262498 |
0.74 |
C1CC=C[C@]2([H])C[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)C1
|
|
| MCULE-3094170088 |
0.74 |
O=C1C=C[C@@H](O)[C@@]2([H])[C@](C[C@@H](C2)O)([H])C=CCCC[C@H](C)O1
|
|
| MCULE-1898871437 |
0.74 |
C12CC(CC1C=CCCCC(C)OC(=O)C=CC2O)O
|
|
| MCULE-7768079101 |
0.74 |
O1[C@H](C)CCCC=C[C@@]2([H])C[C@@H](O)C[C@]2([H])[C@H](C=CC1=O)O
|
|
| MCULE-1228200157 |
0.74 |
C1[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]2([H])C[C@@H]1O
|
|
| MCULE-2566917767 |
0.74 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-7211931015 |
0.74 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(CCC)=O
|
|
| MCULE-6697936504 |
0.74 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-7717916149 |
0.74 |
C12CC3=C(C)C(=O)OC3CC(O)(C)C1CCC2(C)O
|
|
| MCULE-7829335047 |
0.74 |
C12OC(CC1)C=C2C(OCC)=O
|
|
| MCULE-5162561663 |
0.74 |
C12=CC(=O)[C@]3([C@](C)(CC([C@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](OC(C)=O)CC1C(C)OC(=O)C1C)[H]
|
|
| MCULE-5454204287 |
0.74 |
C1C[C@@]2(C)[C@@]([C@H](O)CC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-4026127058 |
0.74 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
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|
| MCULE-2562455528 |
0.74 |
C1(O)CC2C(C)(CCC3=CC(=O)OC3O)C(C)CCC32COC(=O)C3=C1
|
|
| MCULE-8873828930 |
0.74 |
C1=CC2(C)CCC3C(=C)C(=O)OC3C2=C(C)C1=O
|
|
| MCULE-3501875786 |
0.74 |
[C@@H]12[C@@H](CC[C@]3(C)[C@@H](C=CC(=C)C31)OC(=O)C(C)=CC)[C@H](C(=O)O2)C
|
|
| MCULE-1713731192 |
0.74 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MCULE-5787926051 |
0.74 |
C1CC2COC(C=2C(C1C(C)C)/C=C(\CO)/C(=O)O)=O
|
|
| MCULE-5288653087 |
0.74 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-1707790411 |
0.74 |
O=C1OC2C(CCC(=CCCC3(C(CCC(=C2)C)O3)C)C)=C1C
|
|
| MCULE-8496994310 |
0.74 |
COC(C[C@H](OC(C1CCCCC=1)=O)C)=O
|
|
| MCULE-2593667564 |
0.74 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-2662745028 |
0.74 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
|
|
| MCULE-9650544498 |
0.74 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-3758685184 |
0.74 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-1850569909 |
0.74 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-9340600776 |
0.74 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-5241313012 |
0.74 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-3173207342 |
0.74 |
C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
|
|
| MCULE-6913740702 |
0.74 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MolPort-039-141-888 |
0.74 |
C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2[C@H](O)CC1=CCOC1=O
|
|
| MolPort-046-692-025 |
0.74 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
|
|
| MolPort-000-770-776 |
0.74 |
C\C=C(/C)C(=O)O[C@@H]1C=CC(=C)C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C
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|
| MolPort-021-804-692 |
0.74 |
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1O
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|
| MolPort-005-944-535 |
0.74 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
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|
| MolPort-005-944-539 |
0.74 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
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|
| MolPort-006-668-185 |
0.74 |
CC(C)C1CCC2=C(C1\C=C(/CO)C(O)=O)C(=O)OC2
|
|
| MolPort-029-924-743 |
0.74 |
COC(=O)C[C@@H](C)OC(=O)C1=CCCCC1
|
|
| MolPort-046-156-417 |
0.74 |
C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
|
|
| MolPort-039-338-282 |
0.74 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-006-668-331 |
0.74 |
CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-035-706-364 |
0.74 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-046-762-562 |
0.74 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-002-508-571 |
0.74 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-046-596-338 |
0.74 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-006-823-213 |
0.74 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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|
| MolPort-002-528-923 |
0.74 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-046-596-285 |
0.74 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-755-207 |
0.74 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-006-111-314 |
0.74 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-873-418 |
0.74 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-006-668-351 |
0.73 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-039-338-370 |
0.73 |
CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
|
|
| MolPort-015-137-208 |
0.73 |
CC1=C(C(O)=O)C2(CCCCCC2)OC1=O
|
|
| MolPort-044-754-159 |
0.73 |
CCC(C)C(=O)OC1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(CC(OC(=O)C(\C)=C\C)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
|
|
| MolPort-039-339-148 |
0.73 |
CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)[C@@H]2[C@H](C)OC(C)=O)C1=C
|
|
| MolPort-002-525-135 |
0.73 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-046-684-158 |
0.73 |
CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)[C@@H]2[C@@H](C)OC(C)=O)C1=C
|
|
| MolPort-046-594-390 |
0.73 |
CCC(C)=CC(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C
|
|
| MolPort-006-111-351 |
0.73 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-003-847-034 |
0.73 |
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-761-515 |
0.73 |
C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]2(C)CC[C@H]3C([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]12
|
|
| MolPort-005-944-608 |
0.73 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
|
|
| MolPort-002-513-646 |
0.73 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-765-549 |
0.73 |
[2H]C1([2H])C(=O)O[C@]2([C@H]3C[C@H]3[C@H]3[C@@H]4[C@H]5C[C@H]5C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1([2H])[2H]
|
|
| MolPort-046-596-961 |
0.73 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC[C@]2(C)[C@@H](CCC32O)C2=CC(=O)OC2)C1
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|
| MolPort-002-524-753 |
0.73 |
C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-028-854-624 |
0.73 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-689-666 |
0.73 |
C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-007-549-413 |
0.73 |
CC12CC[C@H]3[C@@H](CCC4CC(O)CCC34C)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
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0.73 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
|
|
| MolPort-046-701-787 |
0.73 |
C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1
|
|
| MolPort-000-847-946 |
0.73 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-021-804-733 |
0.73 |
CC1(CO)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-003-930-247 |
0.73 |
C\C=C(/C)C1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
|
|
| MolPort-000-707-521 |
0.73 |
CC(C)\C=C1/CCCCC1OC(C)=O
|
|
| MolPort-035-706-229 |
0.73 |
CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-000-757-886 |
0.73 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-509-854 |
0.73 |
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-590-058 |
0.73 |
C[C@H]1[C@H](C[C@@H](O)[C@](C)(O)[C@H]2CCC3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)COC1=O
|
|
| MolPort-039-339-156 |
0.73 |
C[C@@H](O)[C@H]1C[C@@H](OC(=O)[C@H]1C)[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-007-549-417 |
0.73 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-027-720-856 |
0.73 |
C[C@H]1OC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-945-451 |
0.73 |
C\C=C(\C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-001-742-567 |
0.73 |
CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-338-309 |
0.73 |
CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-338-296 |
0.73 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-707 |
0.73 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-716 |
0.73 |
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MCULE-9774427702 |
0.73 |
C1(C(O)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-1580462179 |
0.73 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C(C)CC)=O)CO2
|
|
| MCULE-6317774895 |
0.73 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O
|
|
| MCULE-2147966582 |
0.73 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-5291547123 |
0.73 |
[C@@]12([H])CC(=O)[C@H]([C@@H](OC(C)=O)C)[C@@]1([H])[C@H](C(C)C)C[C@@H](OC(=O)/C=C(\C)/CC)C2=C
|
|
| MCULE-6576560001 |
0.73 |
[C@H]1(C[C@@H](OC(=O)/C=C(/CC)\C)C(=C)[C@]2([H])CC(=O)[C@@]([H])([C@@]12[H])[C@H](OC(C)=O)C)C(C)C
|
|
| MCULE-5304194793 |
0.73 |
CCC(C)=CC(OC1C(=C)C2CC(C(C(OC(C)=O)C)C2C(C(C)C)C1)=O)=O
|
|
| MCULE-6340794511 |
0.73 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)OC(C)=O)[H])C1COC(=O)C=1
|
|
| MCULE-7555892876 |
0.73 |
O=C1OCC([C@@H]2[C@]3(C)[C@]([C@]4([C@@](CC3)([H])[C@]3(C)[C@](C[C@H](CC3)O)([H])CC4)[H])(O)CC2)=C1
|
|
| MCULE-4899690160 |
0.73 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C
|
|
| MCULE-1542720935 |
0.73 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(O)C2)C1COC(=O)C=1
|
|
| MCULE-2541512222 |
0.73 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-5690818300 |
0.73 |
OC12CCC(C3=CC(=O)OC3)C1(CCC1([H])C3(CCCCC3([H])CCC21[H])C)C
|
|
| MCULE-7391544076 |
0.73 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-8983467960 |
0.73 |
C1(C(=O)OC2CC(C(CC=C)=C2C)=O)C(C1(C)C)C(C)=CC
|
|
| MCULE-5042813534 |
0.73 |
C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-9450414421 |
0.73 |
C1(CCCCC1OC(C)=O)=CC(C)C
|
|
| MCULE-9098558954 |
0.73 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@@H]5OC(=O)[C@@H](C)[C@@]([H])([C@H](O)C)C5)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-8917764627 |
0.73 |
CC1C(=O)OC(C(O)(C2C3(C)CCC4C5(C)CC(O)C(O)CC5C(=O)C=C4C3(O)CC2)C)CC1C(O)C
|
|
| MCULE-4804864002 |
0.73 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-2476844831 |
0.73 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1
|
|
| MCULE-5675720715 |
0.73 |
[C@@]12(CCC(CC1(O)CCC1C2CC[C@]2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-2860009537 |
0.73 |
C[C@@H]1C(=O)OC[C@H](O)[C@H]1C[C@H]([C@@]([C@@H]1[C@]2(C)[C@@](C3[C@@](CC2)([H])[C@]2(C)[C@](C[C@H]([C@H](C2)O)O)([H])C(=O)C=3)(O)CC1)(O)C)O
|
|
| MCULE-7793896949 |
0.73 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-1884014689 |
0.73 |
O=C1OC[C@H](O)[C@@H](C[C@H]([C@](C)(O)[C@@H]2[C@]3(C)C(C4[C@@](CC3)([H])[C@]3(C)[C@](C[C@H]([C@H](C3)O)O)([H])C(=O)C=4)(O)CC2)O)[C@@H]1C
|
|
| MCULE-9744281698 |
0.73 |
[C@@]12(O)CC[C@H]([C@](O)(C)C[C@@H](O)[C@@]3([H])[C@@H](C)OC(=O)[C@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-1234424378 |
0.73 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-7379430730 |
0.73 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-2804901759 |
0.73 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-5187157844 |
0.73 |
C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
|
|
| MCULE-2969817322 |
0.73 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-9380832184 |
0.73 |
C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
|
|
| MCULE-3922449822 |
0.73 |
O=C1C2CC(C=CC2)O1
|
|
| MCULE-2982639627 |
0.73 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O
|
|
| MCULE-2780089397 |
0.73 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-4795427452 |
0.73 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
|
|
| MCULE-4012121864 |
0.73 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
|
|
| MCULE-9145801664 |
0.73 |
C123CCC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C1CCC(C(=C)[C@H]2OC(=O)/C(/C)=C\C)C3
|
|
| MCULE-8836163795 |
0.73 |
C12CC3CC4CC5C(=O)OC(=O)C=5CC=4CC=3CC=1C(OC2=O)=O
|
|
| MCULE-6721748919 |
0.73 |
C1(OCC2COC(CCCCCCC)C=21)=O
|
|
| MCULE-9326656323 |
0.73 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2284846333 |
0.73 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H]([C@@]4([H])CC=C(C)C(=O)O4)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-7003052133 |
0.73 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-9643911455 |
0.73 |
C1(OCC2COC(C=21)CCCCCCC(C)C)=O
|
|
| MCULE-3037222806 |
0.73 |
C1=C(C(=O)O)C[C@@H](OC(=O)/C(=C\C)/C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-1441261356 |
0.73 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1374093397 |
0.73 |
C1=CC2CC1C1C(COC(=O)C)=CC12
|
|
| MolPort-038-386-495 |
0.73 |
CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
|
|
| MolPort-028-609-996 |
0.73 |
C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
|
|
| MolPort-005-936-166 |
0.73 |
O=C1OC2CC1CC=C2
|
|
| MolPort-046-790-415 |
0.73 |
C[C@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
|
|
| MolPort-001-742-405 |
0.73 |
C\C=C(\C)C(=O)O[C@@H]1C(=C)C2CC11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
|
|
| MolPort-009-014-420 |
0.73 |
CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
|
|
| MolPort-007-549-415 |
0.73 |
CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-020-006-022 |
0.73 |
C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H]1CC=C(C)C(=O)O1
|
|
| MolPort-001-742-530 |
0.73 |
CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-000-837-253 |
0.73 |
CC([NH3+])(CO)CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-708-424 |
0.73 |
CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-019-936-876 |
0.73 |
CC(=O)OC\C=C(/C)C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O
|
|
| MolPort-002-528-272 |
0.73 |
CC(C)([NH3+])CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-019-795-852 |
0.73 |
CC(C)([NH3+])CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-527-547 |
0.73 |
[NH3+]CCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-530-312 |
0.73 |
CC([NH3+])(CO)CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-005-944-258 |
0.73 |
CCCCCCCC1OCC2=C1C(=O)OC2
|
|
| MolPort-039-052-722 |
0.73 |
C\C=C(\C)C(=O)O[C@@H]1C\C(=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O
|
|
| MolPort-005-944-261 |
0.73 |
CC(C)CCCCCCC1OCC2=C1C(=O)OC2
|
|
| MolPort-046-790-373 |
0.73 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-035-706-363 |
0.73 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-044-649-750 |
0.73 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@](C)(COC(C)=O)C=C5COC(C)=O)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-153-156 |
0.73 |
CC1=C2CC3C(=C)CCC(O)C3(C)CC2(O)OC1=O
|
|
| MolPort-004-780-965 |
0.72 |
C=CCOC(=O)C1=CCCC1
|
|
| MolPort-021-804-665 |
0.72 |
CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O
|
|
| MolPort-021-804-860 |
0.72 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C=CC(=O)OC4(C)C)C3CC(=C)C2(C)C1=O)OC(C)=O
|
|
| MolPort-002-526-653 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-003-666-004 |
0.72 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1CC2O)C1=CC(=O)OC1
|
|
| MolPort-007-549-369 |
0.72 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-002-508-311 |
0.72 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-507-406 |
0.72 |
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-410 |
0.72 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-509-108 |
0.72 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-046-765-550 |
0.72 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-004-955-165 |
0.72 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-003-724-684 |
0.72 |
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-039-338-147 |
0.72 |
C[C@]12CC[C@@H]3[C@@]4(C)CC[C@H](O)C[C@H]4CC[C@@]3(O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-507-211 |
0.72 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CCC3C[C@@H](O)CC[C@]3(C)C1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-021-804-540 |
0.72 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-044-754-160 |
0.72 |
C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(C)=O)C1=CC(=O)OC1
|
|
| MolPort-044-754-161 |
0.72 |
C\C=C(/C)C(=O)OC(C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1C(CCC21CO1)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
|
|
| MolPort-002-514-937 |
0.72 |
CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-529-465 |
0.72 |
CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-000-824-500 |
0.72 |
CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-039-242-431 |
0.72 |
CCOC(=O)C1=C(C)CCC1
|
|
| MolPort-001-742-458 |
0.72 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-046-596-558 |
0.72 |
CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-042-675-283 |
0.72 |
COC1C(O)C2C(C)(C)CCCC2(C)C2=C1C(=O)OC2
|
|
| MolPort-001-742-457 |
0.72 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-002-525-983 |
0.72 |
CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-485 |
0.72 |
CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-673-798 |
0.72 |
COC(=O)C1=CC2CC\C=C/CCC12
|
|
| MolPort-002-530-517 |
0.72 |
CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-046-671-926 |
0.72 |
CCOC(=O)C1=CCC(CN)CC1
|
|
| MolPort-021-804-814 |
0.72 |
CC1C2CCC3C(C)(C)CCC(O)C3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-005-909-529 |
0.72 |
CC1(C2[C@@H]1C1OC2C=C1)C(=O)OCC=C
|
|
| MolPort-009-680-371 |
0.72 |
CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C
|
|
| MolPort-046-657-168 |
0.72 |
CC(C)(C)OC(=O)C1=CCC(CN)CC1
|
|
| MCULE-2596206534 |
0.72 |
C1C(O)C2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1
|
|
| MCULE-2852293806 |
0.72 |
C12(C)C=CC(=O)OC(C)(C)C1CC(OC(C)=O)C1(C)C3C(=O)OC(C)C(=O)C3(C)C(=C)CC12
|
|
| MCULE-4627485071 |
0.72 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1O
|
|
| MCULE-4097681428 |
0.72 |
[C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@]([C@H](O)C1)(C)[C@@H](C1=CC(=O)OC1)CC3)CC2
|
|
| MCULE-3919630131 |
0.72 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CC(O)C1C2CCC2CC(O)CCC21C
|
|
| MCULE-2818532213 |
0.72 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4697381379 |
0.72 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-5598679764 |
0.72 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21C
|
|
| MCULE-7243993523 |
0.72 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(CO)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-5993142660 |
0.72 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(O)CC1C3(C(CC(CC3)O)CCC12)C
|
|
| MCULE-2575982393 |
0.72 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O
|
|
| MCULE-5124685906 |
0.72 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3(O)CC[C@]2([H])C[C@H]1O
|
|
| MCULE-8328775128 |
0.72 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@](C5=CC(=O)OC5)([H])CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O
|
|
| MCULE-8163001276 |
0.72 |
C1CC2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(/C(/C)=C/C)=O)CO2
|
|
| MCULE-2501469853 |
0.72 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])[C@@H]1OC(C)=O)CO2
|
|
| MCULE-9485946749 |
0.72 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-8133468470 |
0.72 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
|
|
| MCULE-6232978473 |
0.72 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-8617095272 |
0.72 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-6914138383 |
0.72 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(CCC(C)C)=O)C1CC=C2C(C)=O
|
|
| MCULE-7666040130 |
0.72 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-9509535864 |
0.72 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-1836906318 |
0.72 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-8353986967 |
0.72 |
O=C1CCC2(C=C(C(C)(C)C)C(C(C(C)(C)C)=C2)=O)O1
|
|
| MCULE-2060297166 |
0.72 |
C1C(O)C2(C)C3CC4(O)OC(=O)C=C4C(C)C3CCC2C(C)(C)C1
|
|
| MCULE-7212452003 |
0.72 |
C1C(C)C2=C(C(OCC)=O)C(=O)CC2([H])C1
|
|
| MCULE-1133406846 |
0.72 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-3733595575 |
0.72 |
C(/C)(\C)=C/C1C(C)(C)C1C(=O)OC1CC(=O)C(CC=C)=C1C
|
|
| MCULE-1066490491 |
0.72 |
C1(=C(C)C(OC1=O)(C)C)C(C)(O)C(C)(O)C1=C(C)C(OC1=O)(C)C
|
|
| MCULE-4461233711 |
0.72 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC=C2C(C)=O
|
|
| MCULE-8006114836 |
0.72 |
C1(C2C3C4(C(C=C2)C1(C#N)C#N)CC(=O)OC4C=C3)(C#N)C#N
|
|
| MCULE-4661795097 |
0.72 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-7117172040 |
0.72 |
C1CCCCCCCCC(C(OC)=O)=C1
|
|
| MCULE-4882022453 |
0.72 |
COC1CC(OC(C2CCCC=2)=O)CC(OC)C1
|
|
| MCULE-7484851551 |
0.72 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
|
|
| MCULE-5467493333 |
0.72 |
C1C[C@@]2(C)[C@@](C[C@H](O)C3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-1400269697 |
0.72 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-6322752441 |
0.72 |
C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)CC(O)C2=CCOC2=O)C1)[H]
|
|
| MCULE-7623122514 |
0.72 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-9832397249 |
0.72 |
C1C(OC(C)=O)C2(C(CC3C(O)(C2)OC(=O)C=3C)C(=C)C1)C
|
|
| MCULE-6114611450 |
0.72 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O
|
|
| MCULE-4611936405 |
0.72 |
C1C=C(C)CC2(O)OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MolPort-001-785-571 |
0.72 |
CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
|
|
| MolPort-000-755-388 |
0.72 |
CC1=C(C(=O)OC1(C)C)C(C)(O)C(C)(O)C1=C(C)C(C)(C)OC1=O
|
|
| MolPort-002-508-940 |
0.72 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)=O
|
|
| MolPort-002-514-801 |
0.72 |
CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-000-825-884 |
0.72 |
[NH3+]CCCO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-252 |
0.72 |
[NH3+]CCCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-742-309 |
0.72 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
|
|
| MolPort-028-955-214 |
0.72 |
COC1CC(CC(C1)OC(=O)C1=CCCC1)OC
|
|
| MolPort-035-705-925 |
0.72 |
CC1(C)CCC[C@]2(C)[C@@H](C[C@@H](O)C3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-001-741-135 |
0.72 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-039-141-890 |
0.72 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C[C@H](O)C3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-001-741-109 |
0.72 |
CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
|
|
| MolPort-021-804-784 |
0.72 |
CC1CC\C=C(C)\CC2(O)OC(=O)C(C)=C2CC1=O
|
|
| MolPort-005-944-875 |
0.72 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3(O)CC12C
|
|
| MolPort-019-940-195 |
0.72 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-027-846-990 |
0.72 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-002-528-059 |
0.72 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-002-507-110 |
0.72 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-046-689-479 |
0.71 |
OCCNCCO.C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-006-668-483 |
0.71 |
CC(C1CCC(C)(O1)C=C)C(=O)OC\C(C)=C/CCC(C)(O)C=C
|
|
| MolPort-002-800-312 |
0.71 |
COC(=O)C1=C(C2CCC1CC2)C(=O)OC
|
|
| MolPort-002-800-229 |
0.71 |
CC(=O)OCC1(C)C(CCC2(C)C(CC(OC(C)=O)C3=CCOC3=O)C(=C)CCC12)OC(C)=O
|
|
| MolPort-039-141-792 |
0.71 |
CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
|
|
| MolPort-001-740-663 |
0.71 |
CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
|
|
| MolPort-019-937-555 |
0.71 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-937-557 |
0.71 |
CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-052-399 |
0.71 |
CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
|
|
| MolPort-046-762-859 |
0.71 |
CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C
|
|
| MolPort-019-937-184 |
0.71 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-052-656 |
0.71 |
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CC[C@@H]12
|
|
| MCULE-7803701147 |
0.71 |
C1C2C3C4C(=O)OC(C=CC23)C4C=1
|
|
| MCULE-4274335769 |
0.71 |
C1[C@H](C)OC(=O)C=1C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1
|
|
| MCULE-1414318418 |
0.71 |
O1C(=O)C(C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCC)O2)=C[C@@H]1C
|
|
| MCULE-1816798318 |
0.71 |
C12(C)CCC(C(C)(COC(C)=O)C1CCC(=C)C2CC(OC(C)=O)C1=CCOC1=O)OC(C)=O
|
|
| MCULE-2724365529 |
0.71 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-2222797068 |
0.71 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]4(O)[C@]3(O)CC=C2C[C@H]1O
|
|
| MCULE-3280168913 |
0.71 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-3581898493 |
0.71 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-2561071555 |
0.71 |
C12(C3C(C(F)(F)F)OC(=O)C=3C1)CCCCC2
|
|
| MCULE-5702185362 |
0.71 |
[C@]123O[C@@]1([H])[C@@]1([H])[C@@](O1)(C(C)C)[C@@H](O)[C@]12O[C@@]1([H])C[C@@]1([H])C2COC(=O)C=2CC[C@]31C
|
|
| MCULE-3556341827 |
0.71 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C
|
|
| MCULE-9566808009 |
0.71 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C
|
|
| MCULE-7927686982 |
0.71 |
C12C3C4C(C5C1C(C(OC)=O)=C(C(OC)=O)C35)C2C=C4
|
|
| MCULE-8611232708 |
0.71 |
C12C3C4C(C5C1C(C(O)=O)=C(C(OC)=O)C35)C2C=C4
|
|
| MCULE-8236546660 |
0.71 |
O(C(=O)C)[C@@H]1C[C@@H](C)[C@@](O)([C@@]2(C1C(C)(C)CCC2)C)CCC1COC(=O)C=1
|
|
| MCULE-5593960668 |
0.71 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-3605854604 |
0.71 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4498603332 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
|
|
| MCULE-7170821286 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
|
|
| MCULE-2337967762 |
0.71 |
[C@]12(C)CCC3C(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(C)OC(C)=O
|
|
| MCULE-4551637584 |
0.71 |
C1CC2(C)C3C(OC)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1OC(=O)C
|
|
| MCULE-2994624081 |
0.71 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-3193343372 |
0.71 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-7272779592 |
0.71 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-3653619374 |
0.71 |
C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O
|
|
| MCULE-2488392484 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H]
|
|
| MCULE-6250100613 |
0.71 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-9883764892 |
0.71 |
C1(=CCCC1)C(=O)OCC
|
|
| MCULE-9798073540 |
0.71 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-1537420527 |
0.71 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-8464956672 |
0.71 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-9379833788 |
0.71 |
O=C1CCCC(C(=O)OC)=C1
|
|
| MCULE-6481401182 |
0.71 |
[C@]12(C)CCC3C(CC(C4=CC(=O)CC[C@@]43C)=C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-1507896508 |
0.71 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](OC(=O)C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C)=O)CO2
|
|
| MolPort-003-959-668 |
0.71 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3CC3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
|
|
| MolPort-046-764-603 |
0.71 |
[2H]C1([2H])OC(=O)C2=C1[C@]1([2H])C[C@@H]3O[C@@]33[C@H](O)C4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CC2)C(C)C
|
|
| MolPort-016-638-463 |
0.71 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
|
|
| MolPort-002-517-064 |
0.71 |
[NH3+]CC(O)C[NH3+].C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-000-771-103 |
0.71 |
[NH3+]CCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-046-153-753 |
0.71 |
C\C=C(\C)C(=O)OC1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-000-762-106 |
0.71 |
[NH3+]CC(O)C[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-046-158-398 |
0.71 |
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-002-529-356 |
0.71 |
[NH3+]CCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-740-819 |
0.71 |
C[C@@H]1C[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
|
|
| MolPort-035-705-907 |
0.71 |
C[C@@H]1C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
|
|
| MolPort-046-690-008 |
0.71 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-527-934 |
0.71 |
CC(OC(C)=O)[C@]1(CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-002-530-359 |
0.71 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-003-855-493 |
0.71 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
|
|
| MolPort-002-511-669 |
0.71 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-044-637-543 |
0.71 |
COC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C12
|
|
| MolPort-003-712-637 |
0.71 |
C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-042-646-608 |
0.71 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-046-597-757 |
0.71 |
CC(OC(C)=O)[C@]1(CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-002-509-430 |
0.71 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-506-965 |
0.71 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-002-530-021 |
0.71 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-046-596-271 |
0.71 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-520-650 |
0.71 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-003-922-624 |
0.71 |
CCOC(=O)C1=CCCC1
|
|
| MolPort-001-840-675 |
0.71 |
CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
|
|
| MolPort-002-510-459 |
0.71 |
CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-028-948-872 |
0.71 |
COC(=O)C1=CCCCCC1
|
|
| MolPort-046-673-020 |
0.71 |
COC(=O)C1=CC2CCC3C(CCC12)C=C3C(=O)OC
|
|
| MolPort-028-748-704 |
0.71 |
COC(=O)C1=CC(=O)CCC1
|
|
| MolPort-044-561-262 |
0.71 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
|
|
| MolPort-002-510-818 |
0.71 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-153-794 |
0.71 |
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](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-687-428 |
0.71 |
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](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-044-754-163 |
0.71 |
C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](C(CC[C@]22CO2)OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=CC(=O)OC1
|
|
| MolPort-039-338-617 |
0.70 |
CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-088 |
0.70 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-084 |
0.70 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-087 |
0.70 |
CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-086 |
0.70 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-028-610-220 |
0.70 |
CC1(C)CCCC2=C1C(=O)OC(=O)C1=CC(C)(CCC21O)C=C
|
|
| MolPort-044-649-707 |
0.70 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-019-937-545 |
0.70 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-044-649-591 |
0.70 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-001-739-845 |
0.70 |
C[C@@H]1CC[C@H](O)\C=C\C(=O)O[C@H](C)CC[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-765-468 |
0.70 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@@]3(C)OC(C)=O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-035-705-813 |
0.70 |
COC1OC(=O)C(CC[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC=C3C(O)=O)=C1
|
|
| MolPort-002-911-096 |
0.70 |
CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
|
|
| MolPort-046-765-478 |
0.70 |
COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33CCC(=O)O3)C12
|
|
| MolPort-008-346-699 |
0.70 |
C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-046-418-888 |
0.70 |
CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-039-052-501 |
0.70 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1[C@H](CC(C)=O)OC(C)=O
|
|
| MolPort-039-338-614 |
0.70 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
|
|
| MolPort-021-804-824 |
0.70 |
C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
|
|
| MolPort-046-158-474 |
0.70 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
|
|
| MolPort-001-740-880 |
0.70 |
COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)C1C[C@@H](OC(C)=O)C1=C2CC[C@](C)(C=C)[C@@H]1OC(C)=O
|
|
| MolPort-005-945-123 |
0.70 |
COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
|
|
| MolPort-035-705-908 |
0.70 |
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-002-502-008 |
0.70 |
COC(=O)C1=CCCCC1
|
|
| MolPort-039-338-374 |
0.70 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC\C(C)=C\C(O)=O)C(=C)CC[C@H]2C1(C)C
|
|
| MolPort-035-705-806 |
0.70 |
COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
|
|
| MolPort-002-984-651 |
0.70 |
CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O
|
|
| MolPort-002-524-375 |
0.70 |
C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-005-945-900 |
0.70 |
CC1C2C(O)CC3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-046-764-697 |
0.70 |
CC12C3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-046-764-698 |
0.70 |
CC12C3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-019-937-070 |
0.70 |
COC1OC(=O)C2=C1C1(C)CCCC(C)(C)C1CC2O
|
|
| MolPort-046-765-407 |
0.70 |
C[C@]12CC[C@@H]3[C@H]([C@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-006-147-884 |
0.70 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5
|
|
| MolPort-021-804-605 |
0.70 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-002-507-417 |
0.70 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-002-507-180 |
0.70 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-039-338-531 |
0.70 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CCC5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-001-633-124 |
0.70 |
CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-003-931-014 |
0.70 |
C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-046-765-567 |
0.70 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-046-689-078 |
0.70 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-000-782-854 |
0.70 |
CCCCCCCCCC[NH3+].C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-734 |
0.70 |
CCCCCCCCCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-526-910 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-417-140 |
0.70 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(O)=O
|
|
| MolPort-000-763-729 |
0.70 |
[NH3+]CCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-039-338-852 |
0.70 |
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-000-757-740 |
0.70 |
CCCCCCCCCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-527-998 |
0.70 |
[NH3+]CCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-418-951 |
0.70 |
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)C2=CC[C@@H]2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
|
|
| MolPort-002-528-664 |
0.70 |
CCCCCCCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-739-897 |
0.70 |
CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
|
|
| MolPort-044-755-257 |
0.70 |
CC(=O)O[C@H]1CCC2[C@H]3CCC4=C(CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]2(C)C1)C(C)=O
|
|
| MCULE-1326219832 |
0.70 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MCULE-2600806760 |
0.70 |
C1CC2C3(O)CCC(C)(C=C)C=C3C(=O)OC(=O)C=2C(C)(C)C1
|
|
| MCULE-6591915280 |
0.70 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)CC(C)CC)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1031631524 |
0.70 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-9998977190 |
0.70 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-2935787590 |
0.70 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-5530658305 |
0.70 |
O1C(C)CCC(O)C=CC(=O)OC(C)CCC(O)C=CC1=O
|
|
| MCULE-5943290394 |
0.70 |
C1(=O)C=C[C@@H](O)CC[C@@H](C)OC(C=C[C@@H](O)CC[C@@H](C)O1)=O
|
|
| MCULE-1470831787 |
0.70 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C
|
|
| MCULE-4812124360 |
0.70 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(OC)OC3=O)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-2794249583 |
0.70 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
|
|
| MCULE-5531778494 |
0.70 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
|
|
| MCULE-1777552821 |
0.70 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
|
|
| MCULE-1120014260 |
0.70 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C([C@@H](OC(=O)C)CC(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-1278548612 |
0.70 |
C12[C@H](OC(C)=O)C[C@@]3([C@](C)([C@H](CC[C@@]3(C)C(OC)=O)OC(C)=O)C=1CC[C@](C)(C=C)[C@@H]2OC(C)=O)[H]
|
|
| MCULE-4437204352 |
0.70 |
O(C(=O)C)[C@H]1[C@](C=C)(C)CCC2=C1[C@H](OC(=O)C)CC1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(OC)=O
|
|
| MCULE-1159348886 |
0.70 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-5869293075 |
0.70 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
|
|
| MCULE-3153400458 |
0.70 |
C1CC(C(=O)OC)=CCC1
|
|
| MCULE-7424984034 |
0.70 |
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-8058775334 |
0.70 |
C12(C)CCC(C=C1C=CC1([H])C3(C(C)(C4(CC3)CCC(=O)O4)CCC12[H])[H])=O
|
|
| MCULE-3370825749 |
0.70 |
[C@@]12(CCC(=O)O1)CC[C@@]1([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C
|
|
| MCULE-4072737339 |
0.70 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)CC2C(C)(CO)C1
|
|
| MCULE-8218872905 |
0.70 |
[C@]12(C)CCC(C=C1C=C[C@@]1([H])[C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)CC[C@@]12[H])[H])=O
|
|
| MCULE-2235884727 |
0.70 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-5448913970 |
0.70 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2832051071 |
0.70 |
C1CC2(C)C3C(OC)OC(=O)C=3C(O)CC2C(C)(C)C1
|
|
| MCULE-9169992682 |
0.70 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-5494151913 |
0.70 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-9013163041 |
0.70 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2277162868 |
0.70 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2441734480 |
0.70 |
O=C1CCC2(C)C3CCC4(C)C(C(=C)CC4C3C=C(OC)C2=C1)(OC(C)=O)C(C)=O
|
|
| MCULE-7343644414 |
0.70 |
C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
|
|
| MCULE-3239458544 |
0.70 |
[C@@]123[C@]([H])(C[C@@]4([H])C5COC(=O)C=5CC[C@]4(C)[C@]41O[C@]4([C@@]1(O[C@]1(C(C)C)[C@H]2OC(CCC(O)=O)=O)[H])[H])O3
|
|
| MCULE-5014476622 |
0.70 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-9246661061 |
0.70 |
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-5223496751 |
0.70 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1
|
|
| MCULE-3842551274 |
0.70 |
C12(OC)OC(=O)C(C)=C1CC1C(=C)C(O)CCC1(C)C2
|
|
| MCULE-1434186647 |
0.70 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
|
|
| MCULE-1465573856 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
|
|
| MCULE-1094526426 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
|
|
| MCULE-6632709049 |
0.70 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
|
|
| MCULE-7225794462 |
0.70 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1
|
|
| MCULE-7519944367 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-5653473871 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
|
|
| MCULE-5613497776 |
0.70 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-7091792733 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
|
|
| MCULE-5907023439 |
0.70 |
[C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-7151123890 |
0.70 |
C1(COC(C)=O)=C(C)CCC1C(C)=C
|
|
| MCULE-8140512979 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-1555066285 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H]
|
|
| MCULE-5708067201 |
0.70 |
C1[C@@](O)(C)[C@]2([H])[C@@]3([H])[C@H]4C=C(C)[C@@]5([C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@@]54[H])[C@@]3([H])C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@@H]2C1
|
|
| MCULE-5499634167 |
0.70 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-4505044370 |
0.70 |
[Na+].C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O
|
|
| MCULE-6067558194 |
0.70 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-9544471726 |
0.70 |
C1(CCC(CC=1C)=O)C(OCC)=O
|
|
| MCULE-4565271647 |
0.70 |
C12CCC(C(=O)COC(=O)CCC(=O)O)C1(C)CCC1C3(C)CCC(=O)C=C3CCC21
|
|
| MCULE-4936356690 |
0.70 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CCC2[C@@H](OC)OC(=O)C=2)C)C)C(C)=C1
|
|
| MCULE-1443616160 |
0.70 |
CC1C(CCC2COC(=O)C=2)(C)C2CC(O)C=C(CO)C2(COC(C)=O)CC1
|
|
| MCULE-2606384678 |
0.70 |
[C@@H]1(C[C@@]2([H])[C@@](C(CO)=C1)(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)O
|
|
| MCULE-3044681837 |
0.70 |
CCOC(C1=CC2CCC1C=C2)=O
|
|
| MCULE-9707855350 |
0.70 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-2972497233 |
0.70 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-1838518608 |
0.70 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C
|
|
| MCULE-4659340446 |
0.70 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MolPort-046-596-379 |
0.70 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-831-808 |
0.70 |
CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-001-512-555 |
0.70 |
CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-529-998 |
0.70 |
CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-113-131 |
0.70 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-000-730-791 |
0.70 |
CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-528-065 |
0.70 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-001-742-234 |
0.70 |
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4[C@H]4O[C@@]34CC[C@@H]2C1(C)C
|
|
| MolPort-046-596-421 |
0.70 |
CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-029-943-059 |
0.70 |
COC12CC3(C)CCC(OC(C)=O)C(=C)C3CC1=C(C)C(=O)O2
|
|
| MolPort-029-943-082 |
0.70 |
COC12CC3(C)CCC(O)C(=C)C3CC1=C(C)C(=O)O2
|
|
| MolPort-000-700-526 |
0.70 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-027-853-579 |
0.70 |
COC12CC3(C)CCCC(=C)C3CC1=C(C)C(=O)O2
|
|
| MolPort-027-849-378 |
0.70 |
CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-596-250 |
0.70 |
CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-529-231 |
0.70 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-111-466 |
0.70 |
CC(=O)OCC1=C(C)CCC1C(C)=C
|
|
| MolPort-002-527-902 |
0.70 |
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-028-600-130 |
0.70 |
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O
|
|
| MolPort-046-765-487 |
0.70 |
CCCCCCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-044-561-235 |
0.70 |
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O
|
|
| MolPort-002-911-155 |
0.70 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-528-752 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-030-000-106 |
0.70 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-683-997 |
0.70 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
|
|
| MolPort-001-742-175 |
0.70 |
CO[C@H]1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C
|
|
| MolPort-000-719-373 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CCC(O)(C(C)C)[C@H]12
|
|
| MolPort-002-509-880 |
0.70 |
C\C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12
|
|
| MolPort-003-666-223 |
0.69 |
C[C@H]1CC2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-035-868-714 |
0.69 |
CC(O)=O.C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-510-316 |
0.69 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
|
|
| MolPort-000-830-618 |
0.69 |
CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-020-005-698 |
0.69 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-001-740-061 |
0.69 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-932-114 |
0.69 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-507-374 |
0.69 |
C[C@H]1C[C@H]2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-044-649-785 |
0.69 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-527-421 |
0.69 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-596-236 |
0.69 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-000-737-773 |
0.69 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-765-467 |
0.69 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C([2H])([2H])[2H])(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-689-349 |
0.69 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-520-707 |
0.69 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-044-561-194 |
0.69 |
CC(C)[C@H]1CC[C@@]2(CO2)[C@@H]2[C@@H]1C=C(COC2=O)C(O)=O
|
|
| MolPort-002-507-115 |
0.69 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-001-794-638 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-001-785-923 |
0.69 |
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-005-945-241 |
0.69 |
COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
|
|
| MolPort-023-220-614 |
0.69 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-039-140-568 |
0.69 |
CC(C)=CC1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C\C=C)=C2C)C1(C)C.COC(=O)C(\C)=C\C1[C@@H](C(=O)OC2CC(=O)C(C\C=C\C=C)=C2C)C1(C)C
|
|
| MolPort-038-386-082 |
0.69 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H]([C@@H](O)C[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-044-830-351 |
0.69 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-039-338-215 |
0.69 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-044-830-350 |
0.69 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-046-701-688 |
0.69 |
CC(=O)OC1(CCC2C3CC(O)C4=CC(=O)CCC4C3CCC12C)C#C
|
|
| MolPort-035-705-926 |
0.69 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12
|
|
| MolPort-046-689-265 |
0.69 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-028-744-489 |
0.69 |
COC(=O)C1=CC[C@]23CC[C@H]([C@]2(CC1)C(=O)OC)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
|
|
| MolPort-001-740-257 |
0.69 |
CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\C=C\C(=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-044-637-463 |
0.69 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-001-569-826 |
0.69 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-046-765-473 |
0.69 |
[2H]C([2H])([2H])C(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-339-016 |
0.69 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-002-509-604 |
0.69 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-003-930-509 |
0.69 |
CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-741-261 |
0.69 |
C\C1=C/CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-001-742-756 |
0.69 |
C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-002-510-172 |
0.69 |
CC(C)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-046-698-684 |
0.69 |
O=CC=CC1CCC(=O)O1
|
|
| MolPort-046-153-174 |
0.69 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
| MolPort-019-931-768 |
0.69 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MCULE-9107883806 |
0.69 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
|
|
| MCULE-3268211483 |
0.69 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C
|
|
| MCULE-3429789050 |
0.69 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-8036810785 |
0.69 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H]
|
|
| MCULE-1292912968 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-9599193894 |
0.69 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
|
|
| MCULE-8794665540 |
0.69 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O
|
|
| MCULE-7016066089 |
0.69 |
C12C3C4C5C1C(C(OC)=O)=C(C(OC)=O)C5C2C4CC3
|
|
| MCULE-1849472820 |
0.69 |
C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-1992456011 |
0.69 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-1955355747 |
0.69 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-4073913947 |
0.69 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-9254356497 |
0.69 |
C12(C)C3C(C4(C)OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-9034458089 |
0.69 |
C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12
|
|
| MCULE-9709244279 |
0.69 |
C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-4173076088 |
0.69 |
C12(C)C3C(C4OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-6166946540 |
0.69 |
O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1
|
|
| MCULE-1566350070 |
0.69 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-2748824939 |
0.69 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-9660798204 |
0.69 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-4678762535 |
0.69 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-8914845141 |
0.69 |
C(C)(=O)OC1CCC2(CO)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-4960112087 |
0.69 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@@H](C1)[C@@H](O)C[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-5611461738 |
0.69 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H].C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-3449742522 |
0.69 |
C1C(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)C)C[C@](O)(C)C=1
|
|
| MCULE-9989140296 |
0.69 |
NC1CC(C(OC2CCCC2)=O)=CC1
|
|
| MCULE-5920266438 |
0.69 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=C1
|
|
| MCULE-5497851720 |
0.69 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CC=C(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-8183332147 |
0.69 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(C)C
|
|
| MCULE-8961282760 |
0.69 |
C1C=C(C)C(=O)C=CC(C)(C)C2C=C(C1)C(=O)O2
|
|
| MCULE-5004523631 |
0.69 |
C(OCC1CCC1)(=O)C([H])=C([H])C1CCC1
|
|
| MCULE-9253743476 |
0.69 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
|
|
| MCULE-1695863761 |
0.69 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-5549887798 |
0.69 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
|
|
| MCULE-5485844450 |
0.69 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MCULE-7949052065 |
0.69 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-4273868412 |
0.69 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-4559063392 |
0.69 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C
|
|
| MCULE-1566759755 |
0.69 |
C12(CCC1)C1=C(C2)C(=O)OC1C(F)(F)F
|
|
| MCULE-8726234628 |
0.69 |
C12C3C(C)(CCC(C)(C(OCC#C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-5004121327 |
0.69 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-5939300673 |
0.69 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-2384991460 |
0.69 |
CC(C[C@@H](CC(OCC1CCCC=1)=O)CN)C
|
|
| MCULE-3709898565 |
0.69 |
C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-9072555005 |
0.69 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-7388224086 |
0.69 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-8432569167 |
0.69 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-1085736388 |
0.69 |
C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
|
|
| MCULE-5446385915 |
0.69 |
C(C)(=O)OC1CC2C(C=C3C4CC=C(C4(C)CC(C3C2(C)CC1)=O)C(C)=O)=O
|
|
| MCULE-7816980935 |
0.69 |
CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O
|
|
| MCULE-8279266745 |
0.69 |
[C@@]12(CO)C(=O)C[C@]3(C)C([C@H](O)C[C@@]3(C)C1CC=C1C(C)(C)[C@@H](CCC21)O)C(O)(C)C(=O)C=CC(C)(C)OC(=O)C
|
|
| MCULE-1091339345 |
0.69 |
O=C(C1CCCCCC=1)OC1COCC1
|
|
| MCULE-1194643306 |
0.69 |
O1C(C2C=CCC3C2C1C=CC3O)=O
|
|
| MCULE-7130271718 |
0.69 |
COC1CCC(OC(C=CC2CC2)=O)CC1
|
|
| MCULE-4446927847 |
0.69 |
[C@H]1(O)C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-1089229934 |
0.69 |
C/C=C(/C(O[C@H]1[C@H]2C(C(O[C@@H]2C=C(C)[C@@H](O)C[C@H]2O[C@]2(C)C1)=O)=C)=O)\C
|
|
| MCULE-3397065732 |
0.69 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-4683482437 |
0.69 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
|
|
| MolPort-046-147-268 |
0.69 |
CCOC(=O)C1=C(CCC1)C(=O)OCC
|
|
| MolPort-002-911-091 |
0.69 |
CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
|
|
| MolPort-001-742-576 |
0.69 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
|
|
| MolPort-042-675-367 |
0.69 |
C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-233 |
0.69 |
C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-234 |
0.69 |
C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-052-392 |
0.69 |
C\C(=C/CO)C(=O)O[C@H]1C\C(C)=C/C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-761-036 |
0.69 |
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-035-706-340 |
0.69 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-035-706-337 |
0.69 |
COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O
|
|
| MolPort-009-015-246 |
0.69 |
COC(=O)CC[C@]1(C)[C@H]2CCC[C@H]3COC[C@@]23C(=O)C=C1C
|
|
| MolPort-002-512-707 |
0.69 |
C[C@]12CCC3C(C=CC4=CC(O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-687-432 |
0.69 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-039-052-678 |
0.69 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-002-893-781 |
0.69 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
|
|
| MolPort-029-937-857 |
0.69 |
O=C(OC1CCOC1)C1=CCCCCC1
|
|
| MolPort-035-706-457 |
0.69 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-028-754-123 |
0.69 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-016-638-324 |
0.69 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O
|
|
| MolPort-044-222-386 |
0.69 |
COC1CCC(CC1)OC(=O)C=CC1CC1
|
|
| MolPort-002-911-147 |
0.69 |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-046-697-234 |
0.68 |
CC[C@@H](C)\C=C\C=C\C(=O)O[C@H]1C=CC2=CC(=O)[C@@](O)(C[C@]2(C)[C@H]1C)C(=C)CO
|
|
| MolPort-002-527-248 |
0.68 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3C2C[C@@H](OC(C)=O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
|
|
| MolPort-046-762-565 |
0.68 |
CC(=O)OC1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-046-596-376 |
0.68 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC(OC(C)=O)[C@]2(C)C(CCC32O)C2=CC(=O)OC2)C1
|
|
| MolPort-006-665-999 |
0.68 |
CC(=O)OC1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-027-720-499 |
0.68 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-002-194-473 |
0.68 |
C\C=C\C1OC(=O)C2(CCCCC2)C(=O)C1(C)C
|
|
| MolPort-020-393-553 |
0.68 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-002-145-709 |
0.68 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-046-765-479 |
0.68 |
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
|
|
| MolPort-000-832-956 |
0.68 |
CC1(C)CC([NH3+])CCO1.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-100 |
0.68 |
CC1(C)CC([NH3+])CCO1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-689-254 |
0.68 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-046-790-379 |
0.68 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-046-689-240 |
0.68 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-005-945-150 |
0.68 |
C[C@H]1CCCC2C(O)C3(O)OC(=O)C(C)=C3C[C@]12C
|
|
| MolPort-046-762-840 |
0.68 |
CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-035-706-238 |
0.68 |
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-338-481 |
0.68 |
CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@H]2OC1=O
|
|
| MolPort-019-937-562 |
0.68 |
CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-339-218 |
0.68 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-039-338-335 |
0.68 |
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(=O)C1
|
|
| MolPort-039-338-527 |
0.68 |
C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@]12O[C@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C
|
|
| MolPort-046-158-459 |
0.68 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO
|
|
| MolPort-005-944-726 |
0.68 |
CC(C)=CCCC(COC(C)=O)=CCCC(CO)=CCCC(C)=CCO
|
|
| MolPort-038-386-597 |
0.68 |
CC(=O)OC\C=C(/C)C(CC1C(C)=C(OC(C)=O)C(=O)C2C(C)(C)C(=O)CCC12C)OC(C)=O
|
|
| MolPort-044-561-115 |
0.68 |
CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-001-740-199 |
0.68 |
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
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|
| MolPort-001-742-445 |
0.68 |
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-039-339-219 |
0.68 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO
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|
| MolPort-020-005-756 |
0.68 |
C[C@]12C[C@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
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|
| MolPort-035-706-526 |
0.68 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-028-318-947 |
0.68 |
CC(OC(=O)C1=CCCC1)C(C)(C)C#N
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|
| MolPort-044-232-221 |
0.68 |
Cl.CC(C)C[C@H](CN)CC(=O)OCC1=CCCC1
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|
| MolPort-001-739-937 |
0.68 |
CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C
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|
| MolPort-003-702-338 |
0.68 |
C\C=C\C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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|
| MolPort-003-855-527 |
0.68 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C\C
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|
| MolPort-046-153-073 |
0.68 |
COC1\C=C\CCC(C)C(C)OC(=O)\C=C\C(C)(O)\C=C\1
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|
| MolPort-046-697-180 |
0.68 |
CC(O)C(=O)C1(C)CC2C(C)=C3CC(=O)OC(C)(C)C3=CCC2(C)C2=C1COC2=O
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| MolPort-002-530-454 |
0.68 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)\C=C\C
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|
| MCULE-3583239018 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
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|
| MCULE-7838361683 |
0.68 |
[C@H]1(CCCCC)CC=CC(=O)O1
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|
| MCULE-7236722260 |
0.68 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-3654721932 |
0.68 |
C12C3C4C5C1C(C1C5C(C4CC3=CC(OCC)=O)CC1=CC(=O)OCC)C1OC21
|
|
| MCULE-1286702458 |
0.68 |
[C@@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-3344154059 |
0.68 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-4058521866 |
0.68 |
C1=CC2[C@@](C[C@@](O)(C(CO)=C)C(=O)C=2)(C)[C@@H](C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)CC
|
|
| MCULE-2569630579 |
0.68 |
C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)/C=C/C
|
|
| MCULE-9306456156 |
0.68 |
C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)C=CC
|
|
| MCULE-9485008266 |
0.68 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](CC1[C@@]3([C@]([H])(C[C@H](CC3)OC(C)=O)CC[C@]12[H])C)OC(C)=O
|
|
| MCULE-1300552918 |
0.68 |
C1(C(OC)=O)C2C(C3CC2C=C3)C=1C(OC)=O
|
|
| MCULE-2555920424 |
0.68 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-4994703608 |
0.68 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
|
|
| MCULE-4098552700 |
0.68 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
|
|
| MCULE-3334544373 |
0.68 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-5291995880 |
0.68 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(C3CCC1(O)CC(O)CC2)Cl
|
|
| MCULE-8985437799 |
0.68 |
C1C[C@]2(C)C[C@]3(OC(C)=O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-5464105562 |
0.68 |
C1CC2C(O)C3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-1338496475 |
0.68 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-6504048226 |
0.68 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-8569314397 |
0.68 |
O=C(C(=CCO)C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-2930807712 |
0.68 |
C1[C@H](OC(=O)C)C(C)=C[C@@]2([H])OC(=O)C([C@]2([H])[C@H](OC(/C(/C)=C/CO)=O)CC(COC(=O)C)=C1)=C
|
|
| MCULE-5527954946 |
0.68 |
O=C(/C(=C/CO)/C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-7618445658 |
0.68 |
C1C=C(C)C[C@H]([C@H]2C(=C)C(O[C@@H]2C=C(C)[C@H]1OC(=O)C)=O)OC(=O)/C(/CO)=C/CO
|
|
| MCULE-8386752633 |
0.68 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-9373742271 |
0.68 |
O(CC(=CCCC(CO)=CCCC(C)=CCO)CC/C=C(\C)/C)C(=O)C
|
|
| MCULE-7247024759 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-8016431488 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
|
|
| MCULE-6412555386 |
0.68 |
[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
|
|
| MCULE-8636553484 |
0.68 |
C1CC2(C)C3C(=O)OCC=3C(C(=O)C(C)O)(C)CC2C(C)=C2CC(=O)OC(C)(C)C=12
|
|
| MCULE-9988520649 |
0.68 |
C1(C)CCC=CC(OC)C=CC(O)(C)C=CC(=O)OC1C
|
|
| MCULE-4464120365 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-1960514602 |
0.68 |
C1(OC)C(C)=CCCC(C)C(OC(=O)C=CC(O)(C)C=C1)C
|
|
| MCULE-9024401259 |
0.68 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-7186730051 |
0.68 |
CC(C(C#N)(C)C)OC(C1CCCC=1)=O
|
|
| MCULE-2716845869 |
0.68 |
C1(C)[C@H](C=C[C@](C=CC(O[C@@H]([C@H](CCC=1)C)C)=O)(O)C)OC
|
|
| MCULE-8493622164 |
0.68 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-2418544882 |
0.68 |
Cl.CC(C[C@@H](CC(OCC1CCCC=1)=O)CN)C
|
|
| MCULE-4343790137 |
0.68 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3632084054 |
0.68 |
C123CCC(=O)C1C1C(=O)CCC1(O2)C=C3
|
|
| MCULE-8639038057 |
0.68 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3([H])CC[C@H](OC(=O)C)C=4)([H])[C@]1([H])CC[C@@]2(OC(=O)C)C#C
|
|
| MCULE-2778816204 |
0.68 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(C)[C@@](C#C)(OC(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=C[C@H]1OC(=O)C
|
|
| MCULE-1077978348 |
0.68 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)C(=O)O[C@@H]1CC[C@@]2(C(=CCC3C2CC[C@@]2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-5563929213 |
0.68 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O
|
|
| MCULE-4767922502 |
0.68 |
CSCCCC(OC1C=C(C)CC(C)(C)C1)=O
|
|
| MCULE-5883474591 |
0.68 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]4[C@@H](C3)OC(C)(C)O4)C1CC[C@]1(C)C(CC[C@@]21O)[C@]1(C)C(CCC(C)(C)OC(C)=O)OC(C)(C)O1)[H]
|
|
| MCULE-5537477153 |
0.68 |
C1CC(C(C)C)C(C2C1(O)COC2=O)/C=C(\CO)/C(=O)OCC1(O)C2C(=O)OCC(C(O)=O)=CC2C(C(C)C)CC1
|
|
| MCULE-6663461828 |
0.68 |
C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-5045812758 |
0.68 |
C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
|
|
| MCULE-3035603698 |
0.68 |
C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
|
|
| MCULE-2185195019 |
0.68 |
[C@@H]1(OC(C)=O)[C@@H](C(C)C)[C@@H](OC(=O)/C(/C)=C/C)C=C(CO)C1=O
|
|
| MCULE-8982382729 |
0.68 |
C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H]
|
|
| MCULE-6259050360 |
0.68 |
[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
|
|
| MCULE-8924549531 |
0.68 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
|
|
| MCULE-8274191901 |
0.68 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
|
|
| MCULE-1753087854 |
0.68 |
C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
|
|
| MCULE-5859688598 |
0.68 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-3726837580 |
0.68 |
C1CCC(C(OC)=O)=C(C(OC)=O)CC1
|
|
| MCULE-6460959687 |
0.68 |
C12C3C4CC1C2C4C(C(OC)=O)=C3C(OC)=O
|
|
| MCULE-6977514439 |
0.68 |
O=C(OCC)C1CC(=O)/C(=C(\O)/C2CC2)/C(=O)C1
|
|
| MCULE-9310183372 |
0.68 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
|
|
| MCULE-6377189094 |
0.68 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-3715918496 |
0.68 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=C(Cl)C(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-8928562205 |
0.68 |
C(C)(=O)OC1CC(O)C2(CO)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-9241147162 |
0.68 |
C12C3C(C)(CCC(C)(C(=O)OCC4CCCO4)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-5400534993 |
0.68 |
C12(C)CCC(C(Cl)=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-8297229450 |
0.68 |
C12C[C@H]3[C@@H](C[C@H](C)[C@]1([H])CC(=O)C=2C)OC(=O)C3=C
|
|
| MolPort-002-528-190 |
0.68 |
CCCCCCCCC1CCC2C3CC=C4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)C(\C)=C(/C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-046-761-522 |
0.68 |
CC(=O)OC1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
|
|
| MolPort-000-775-527 |
0.68 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)C3CC[C@@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-039-142-117 |
0.68 |
CC(=O)OC1CCC2C3CCC4(C)C(CCC4(OC(C)=O)C#C)C3CCC2=C1
|
|
| MolPort-003-941-317 |
0.68 |
CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
|
|
| MolPort-046-509-050 |
0.68 |
C\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
|
|
| MolPort-035-743-130 |
0.68 |
CSCCCC(=O)OC1CC(C)(C)CC(C)=C1
|
|
| MolPort-038-386-086 |
0.68 |
CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
|
|
| MolPort-019-937-301 |
0.68 |
CC\C=C/CC1=C(CCCCC2CCC(=O)O2)C(CC1=O)OC
|
|
| MolPort-000-760-794 |
0.68 |
CC(=O)OC(C)(C)CCC1OC(C)(C)O[C@]1(C)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-627-212 |
0.68 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-046-697-280 |
0.68 |
CC(C)C1CCC2(O)COC(=O)C2C1\C=C(/CO)C(=O)OCC1(O)CCC(C(C)C)C2C=C(COC(=O)C12)C(O)=O
|
|
| MolPort-001-742-169 |
0.68 |
CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-001-742-439 |
0.68 |
C\C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C
|
|
| MolPort-005-944-833 |
0.68 |
CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-039-338-289 |
0.68 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(C3OC(=O)C(\C=C\[C@@H]4C(=C)CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]45C)=C3)C3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-046-688-689 |
0.68 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-755-199 |
0.68 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-562-376 |
0.68 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-006-069-345 |
0.68 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-008-346-698 |
0.68 |
CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
|
|
| MolPort-002-799-019 |
0.68 |
COC(=O)C1=C(C2C3C4CC2C1C34)C(=O)OC
|
|
| MolPort-003-931-378 |
0.68 |
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1
|
|
| MolPort-002-507-430 |
0.68 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-112-498 |
0.68 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-509-181 |
0.68 |
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-008-322-983 |
0.68 |
CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-799-481 |
0.67 |
CC1(C)CCC[C@]2(C)C=C(C3OCCO3)C(=O)C[C@@H]12
|
|
| MolPort-001-742-421 |
0.67 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
|
|
| MolPort-005-945-954 |
0.67 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(C(O)OC1=O)C2O
|
|
| MolPort-039-338-479 |
0.67 |
CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@@]1(O)[C@H]2O
|
|
| MolPort-039-338-478 |
0.67 |
CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]1(O)[C@@H]2O
|
|
| MolPort-016-638-434 |
0.67 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-005-944-274 |
0.67 |
CC(C)C1CCC(CO)=CC1\C=C(/CO)C(=O)OCC1(O)CCC(C(C)C)C2C=C(COC(=O)C12)C(O)=O
|
|
| MolPort-028-610-180 |
0.67 |
COC1OC(=O)C(=C1)[C@@H]1CC=C2[C@@]1(C)CCC1[C@@]3(C)C=CC(=O)C(C)(C)C3C[C@@H](OC(C)=O)[C@@]21C
|
|
| 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-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-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-006-395-778 |
0.67 |
CCC\C(=C/CC)C(=O)OCC
|
|
| 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-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-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-001-740-480 |
0.67 |
COC(=O)\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-046-761-785 |
0.67 |
CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
|
|
| MolPort-042-646-609 |
0.67 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(\C)Cl
|
|
| MolPort-046-597-601 |
0.67 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)Cl
|
|
| MolPort-002-511-037 |
0.67 |
CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC5O[C@]6(CCC(C)CO6)[C@@H](C)C5[C@@]4(C)C(=O)C=C23)C1
|
|
| MolPort-027-849-841 |
0.67 |
CC(C)CCCC(C)C1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-046-153-149 |
0.67 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-009-649-142 |
0.67 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)Cl
|
|
| MolPort-007-549-283 |
0.67 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C(\C)Cl
|
|
| MolPort-002-526-171 |
0.67 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)C4=CC(=O)[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
|
|
| MolPort-046-762-538 |
0.67 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C=CC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-423-222 |
0.67 |
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-002-510-591 |
0.67 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-005-945-347 |
0.67 |
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-006-112-402 |
0.67 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-046-701-786 |
0.67 |
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-046-693-328 |
0.67 |
CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-001-741-296 |
0.67 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
|
|
| MolPort-005-945-302 |
0.67 |
C\C=C(/C)C(=O)O[C@@H]1[C@@H](C(C)C)[C@@H](OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-029-937-849 |
0.67 |
CN(C)C(=O)CCOC(=O)C1=CCCCCC1
|
|
| MCULE-1428350503 |
0.67 |
C12C(O)OC(=O)C=1CC(O)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-2456274701 |
0.67 |
C1CC(O)(C2C(=O)OCC(C(O)=O)=CC2C1C(C)C)COC(/C(=C/C1C(C(C)C)CCC(CO)=C1)/CO)=O
|
|
| 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-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-6530848078 |
0.67 |
C1C[C@@]2(C)C(CCC(=C)[C@@H]2CC/C(=C/C(OC)=O)/C)[C@](C(O)=O)(C)C1
|
|
| MCULE-5752112400 |
0.67 |
COC(C=CC1OCCCC1)=O
|
|
| MCULE-8770472130 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-2983690182 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-6247777566 |
0.67 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-4024956051 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-6016945740 |
0.67 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
|
|
| MCULE-9101975825 |
0.67 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-8995686119 |
0.67 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7414589561 |
0.67 |
[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-1909780355 |
0.67 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)Cl
|
|
| MCULE-8354691781 |
0.67 |
[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-2782751278 |
0.67 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C(C)=C(C)Cl)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-5192807992 |
0.67 |
[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-2531588252 |
0.67 |
[C@]12(C)C(=O)C=C3[C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1O[C@]3(CC[C@@](CO3)([H])C)[C@@H](C)[C@H]21
|
|
| MCULE-9118663748 |
0.67 |
[C@]12(C)C(=O)C=C3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CC)=O)C1CC1O[C@]3(CCC(CO3)C)[C@@H](C)C21
|
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0.67 |
CN(C(CCOC(C1CCCCCC=1)=O)=O)C
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|
| MCULE-6266062726 |
0.67 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O
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C1C=C(C[C@H](OC(=O)C(CO)=C)[C@@H]2[C@H](OC(=O)C2=C)C=C(CO)C1)C
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| MCULE-7364536785 |
0.67 |
C(/C(=C/C)/C)(O[C@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C)=O
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0.67 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
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C1C[C@@]2(C3C(=O)C=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@@]3(CCC2[C@]([C@@H]1OC(C)=O)(C(=O)O)C)C)(C)CC[C@@H](C)[C@@H]5C)C
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CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
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C1C[C@]2(C)C3CC[C@]4(C)[C@@](O)(C5COC(=O)C=5)CC[C@]4(O)C3CCC2C[C@H]1O
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CC12C3C(O)CC4(C)C5(OC(=O)CC5)CCC4C3C=CC1=CC(=O)CC2
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CC1C(C)C2C(C)(CCC3(C)C4(C)CCC5C(C(O)=O)(C)C(OC(C)=O)CCC5(C)C4C(=O)C=C32)CC1
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CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
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[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
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C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
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C1(O)CCC2(C)C3CCC4(C)C(C5COC(=O)C=5)C(O)CC4(O)C3CCC2C1
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[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@]12CCC(=O)O1)[H]
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| MCULE-9824449913 |
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
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C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
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[C@]12([H])C(=O)C=C3[C@]4([H])[C@@H](C)[C@@H](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]21C)OC(=O)C)C)C
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O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
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[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
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C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
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O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)([H])OC(C)=O
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|
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[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)ON(=O)=O)[H])C1COC(=O)C=1
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[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H]
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| MCULE-6377062249 |
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OC(C=CC(C1C2OC(CC2)C1)=O)=O
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| MCULE-7465845608 |
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
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C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=O)CCC(C2)ON(=O)=O)[H])C1COC(=O)C=1
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0.67 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(O)C2=C1)C(COC(C)=O)=O
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|
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C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O)OC(C)=O
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C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2
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C(C)(=O)OC1CC2(CC=C3C(=CC(C4(C)C(C(C)CCC(OC)=O)CCC43)=O)C2(C)CC1)[H]
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| MCULE-5447946707 |
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C(C)(=O)OC1CCC2(C)C3C(C4CC5C(C(C)C6(CCC(C)(CO6)[H])O5)C4(C)C(C=3)OC(C)=O)CCC2(C1)[H]
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[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)O
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| MCULE-6838419999 |
0.67 |
CCN1C(=O)CC(COC(C2CCCCCC=2)=O)C1
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|
| MCULE-4444238402 |
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C12C3C(C)(CCC(C)(C(OCCCN(C)C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
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O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
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CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
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CC1CC(=O)C2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12
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C[C@]12C[C@@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(C)=O)C3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
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CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
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C[C@]12C[C@@H](O)C3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
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CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
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CC12CC(O)C3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
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COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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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](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
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CC1CC2C(C=CC3C2CC2=C(O)CC(CC(O)C3C)OC2=O)C1OC(C)=O
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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](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
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CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(C)(C)OC(=O)OC1CCCC=C1C(=O)OC(C)(C)C
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CC12CC[C@H]3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
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|
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CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
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CCN1CC(COC(=O)C2=CCCCCC2)CC1=O
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C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
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0.67 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
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COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@H](COC(C)=O)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O
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| MolPort-046-153-175 |
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COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
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CC(C)C12OC1C1OC11C3(OC3CC3C4=C(CCC13C)C(=O)OC4)C2=O
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C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
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CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)C2=O
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
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0.66 |
C\C=C(\C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C(\C)=C\CO)[C@H]1C(C)C
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|
| MolPort-046-790-345 |
0.66 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
|
|
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0.66 |
CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
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|
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C(C(CC(O)=O)C3(C)C(=O)CC12C)C(C)(C)C(O)=O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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0.66 |
CC1C2C(O)C(OC(C)=O)C3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
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|
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0.66 |
C\C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
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| MolPort-021-804-724 |
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C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
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CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(O)=O)C3CC[C@]12C
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0.66 |
C\C=C(/C)C(=O)OC1CCC(O)(CCl)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
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0.66 |
CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
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0.66 |
CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
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CCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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COC(=O)C[C@@H](C)OC(=O)C1=CCCC1
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CCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
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OC1=CC(=O)OC11CCCCC1
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CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
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CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
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| MolPort-002-529-841 |
0.66 |
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-740-303 |
0.66 |
C\C=C(\C)C(=O)O[C@H]1C(=C)[C@@H]2C[C@@]11CC[C@@H]3[C@@](C)(CCC[C@@]3(C)[C@]1(O)CC2)C(O)=O
|
|
| MolPort-002-528-961 |
0.66 |
CCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-762-004 |
0.66 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
|
|
| MolPort-046-703-304 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-000-719-984 |
0.66 |
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-596-416 |
0.66 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-939-581 |
0.66 |
CC1CCC2(O1)C(C)=CCCC2(C)C
|
|
| MCULE-4652104758 |
0.66 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(CO)=C3C[C@@]3([H])[C@H](COC(=O)C)[C@H]5C[C@H]5[C@]3(C)[C@]4([H])CC3=C2[C@](C)([C@@H]2C[C@@H]23)[C@@H](O)C\1=O
|
|
| MCULE-6388085128 |
0.66 |
CC(C12C(=O)C34OC3CC3C(C)(CCC5C(=O)OCC=53)C34OC3C1O2)C
|
|
| MCULE-8736767988 |
0.66 |
O=C1C2CC[C@@]3([C@]45O[C@H]4[C@@H]4O[C@]4(C(C)C)C(=O)[C@]45O[C@H]4C[C@@]3([H])C=2CO1)C
|
|
| MCULE-7796629536 |
0.66 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)C(=O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-6308988715 |
0.66 |
[C@@H]1(OC(=O)/C(/C)=C/CO)[C@H]([C@H](C=C(C1=O)CO)OC(=O)/C(/C)=C\C)C(C)C
|
|
| MCULE-7181833804 |
0.66 |
C1C=C(C[C@@H]([C@@H]2[C@H](OC(C2=C)=O)C=C(CO)C1)OC(=O)C(=C)C(CO)O)C
|
|
| MCULE-4523943869 |
0.66 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-7557744061 |
0.66 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
|
|
| MCULE-5353396675 |
0.66 |
C1CC([C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@@]2([H])C1OC(/C(/C)=C/C)=O)(CCl)O
|
|
| MCULE-2178544437 |
0.66 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)/C(/C)=C\C)[C@@]3([C@@H](C(=O)O[C@@H]3C1)C)[H])C(C=C2)=O)C
|
|
| MCULE-9878715932 |
0.66 |
C1(C2(C)C(=O)CC3(C(C2CC=C1C(C)(C)C(O)=O)(C)CC(O)C3C(C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)C)CC(=O)O
|
|
| MCULE-4463956225 |
0.66 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(CO)C1
|
|
| MCULE-3423268424 |
0.66 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-1950814728 |
0.66 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-1671560839 |
0.66 |
[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
|
|
| MCULE-7846274654 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-3814088870 |
0.66 |
C1C(=O)OC2(CCCCC2)C=1O
|
|
| MCULE-1885429632 |
0.66 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-8118520301 |
0.66 |
C1[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@]4(OC(=O)CC)C(=O)CO)[C@]3([H])CCC2=CC(=O)C1
|
|
| MCULE-5711398890 |
0.66 |
C1C[C@@]2([C@@]([H])([C@@](C1)(C(O)=O)C)CC[C@@]13C[C@@](CC[C@@]21O)([H])C(=C)[C@@H]3OC(=O)/C(/C)=C\C)C
|
|
| MCULE-3976819674 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-9685471149 |
0.66 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O
|
|
| MCULE-4587387143 |
0.66 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
|
|
| MCULE-2906301243 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCC)=O)[H]
|
|
| MCULE-1090723140 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-4177898924 |
0.66 |
COC(C[C@H](OC(C1CCCC=1)=O)C)=O
|
|
| MCULE-1939387046 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCCCCCCCCCCCCCCC)=O)[H]
|
|
| MCULE-4784866063 |
0.66 |
CCC(=O)O[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C(=O)CO
|
|
| MCULE-2099620813 |
0.66 |
C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C
|
|
| MCULE-4161111446 |
0.66 |
CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C
|
|
| MCULE-7919520627 |
0.66 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC=C
|
|
| MCULE-3353701926 |
0.66 |
O1C2C1C1CC2C2C1C(C=CC2=O)=O
|
|
| MCULE-7490760496 |
0.66 |
O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CCCCCCCCC=C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1
|
|
| MCULE-7602245034 |
0.66 |
C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-6906348244 |
0.66 |
C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
|
|
| MCULE-4894937500 |
0.66 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
|
|
| MCULE-7442709707 |
0.66 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
|
|
| MCULE-8917149750 |
0.66 |
CC1(C2(OC(C)CC2)C(C)=CCC1)C
|
|
| MCULE-3052348589 |
0.66 |
C1(=O)O[C@@H]2[C@@H]([C@@H](CC(C)=CC[C@H](OC(C)=O)C(C)=C2)OC(=O)/C(=C/C)/COC(=O)/C(/CO)=C/C)C1=C
|
|
| MCULE-9996412338 |
0.66 |
C12OC(=O)C(C)(C3C(C(O)=O)C45CC(=C)C(O)(CCC4C3=C1)C5)C2O
|
|
| MCULE-6939019083 |
0.66 |
C1(C#N)(C#N)C2C(=CC(CC)C1(C#N)C(O2)=O)CC
|
|
| MCULE-9958013133 |
0.66 |
C1CC2C(CCCC)OC(=O)C=2C=C1
|
|
| MCULE-8952317949 |
0.66 |
CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
|
|
| MCULE-4184770590 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(CBr)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-3365689266 |
0.66 |
C1(CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-4124934247 |
0.66 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
|
|
| MCULE-3713246373 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(CCl)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2130027368 |
0.66 |
C1(CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-5172881076 |
0.66 |
C12(O)CCC(C3COC(=O)C=3)C1(C)CCC1([H])C2([H])CCC2(O)CC(CCC12C=O)OC(CBr)=O
|
|
| MCULE-1379924493 |
0.66 |
C1(C2CCCCC2)=C(Cl)C(OC1=O)=O
|
|
| MCULE-7441378184 |
0.66 |
C1(CC[C@@]2([H])[C@]3([C@]([H])(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H])=C(C#N)C(OCC)=O
|
|
| MCULE-5137269050 |
0.66 |
C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
|
|
| MCULE-1278081687 |
0.66 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O
|
|
| MCULE-7798689787 |
0.66 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C#N
|
|
| MCULE-3521793580 |
0.66 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-1028193763 |
0.66 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-5582341030 |
0.66 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)O)C#N
|
|
| MCULE-3121691046 |
0.66 |
COC1C(OC(C=C2CC(C)CC2)=O)CCCC1
|
|
| MCULE-2339507429 |
0.66 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-9352251517 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-9803186551 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-9006451734 |
0.66 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-8822838184 |
0.66 |
C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-7783529046 |
0.66 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-6296063373 |
0.66 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
|
|
| MCULE-2039968402 |
0.66 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
|
|
| MCULE-5174909262 |
0.66 |
C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
|
|
| MCULE-3541447914 |
0.66 |
C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-1124335251 |
0.66 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
|
|
| MCULE-1110502851 |
0.66 |
C(C)(=CCCCCCC)COC(=O)CC
|
|
| MCULE-2997418374 |
0.66 |
C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-7810213600 |
0.66 |
O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)O)=O)C
|
|
| MCULE-4127784247 |
0.66 |
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2CC=1
|
|
| MCULE-2686998361 |
0.66 |
C1C(=O)[C@]2(C)C3C(C[C@H]4O[C@]42[C@@H](O)C=1)[C@]1([H])CCC([C@H](C)C2CC(C)=C(CO)C(=O)O2)[C@@]1(C)CC3
|
|
| MCULE-2745275424 |
0.66 |
C123[C@@H]4[C@@H](CC[C@@]5(O[C@]1(C)[C@H]([C@@]([C@]1([H])C6C([C@@H]7[C@@H](CC[C@]6(C)O)[C@@H](C(=O)O7)C)=C(C)[C@]21[H])([H])C35)O)C)[C@@H](C(=O)O4)C
|
|
| MCULE-2307191320 |
0.66 |
O1C2C3C(C1C(O)CC3C(O)C=C2)C(OC(C)C)=O
|
|
| MolPort-001-742-398 |
0.66 |
C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-019-931-870 |
0.66 |
CC12C(O)C(OC1=O)C=C1C3CCC4(O)CC3(CC4=C)C(C21)C(O)=O
|
|
| MolPort-027-720-911 |
0.66 |
CCCC[C@@H]1OC(=O)C2=C1CCC=C2
|
|
| MolPort-046-762-296 |
0.66 |
OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
|
|
| MolPort-039-052-280 |
0.66 |
CCCCC1OC(=O)C2=C1CCC=C2
|
|
| MolPort-021-804-541 |
0.66 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
|
|
| MolPort-046-596-383 |
0.66 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34C=O)OC(=O)CCl)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-529-448 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)OC(=O)CCl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-016-586-626 |
0.66 |
CCOC12CCC(OCC)(C=C1)C(C2C(O)=O)C(O)=O
|
|
| MolPort-002-507-135 |
0.66 |
CCOC(=O)C(\C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-030-082-365 |
0.66 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34C=O)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-046-589-000 |
0.66 |
CCOC(=O)C1=C(N)/CCCCCC\1
|
|
| MolPort-035-706-023 |
0.66 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-002-528-550 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)OC(=O)CBr)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-000-834-002 |
0.66 |
CCOC(=O)C(\C#N)=C1\CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-030-082-378 |
0.66 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34C=O)OC(=O)CCl)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-520-429 |
0.66 |
CCOC(=O)C(\C#N)=C1/CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-030-040-914 |
0.66 |
CCOC(=O)C(\C#N)=C1/CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-028-950-795 |
0.66 |
CCOC(=O)C1=C(N)CCC(C)C1
|
|
| MolPort-027-846-178 |
0.66 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34C=O)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-039-240-193 |
0.66 |
CCOC(=O)C1=C(N)CCCCCC1
|
|
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0.66 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
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C[C@]12CCC3C(CCC4CC(CC[C@]34C)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
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C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C#N)C1(O)CCC2C1=CC(=O)OC1
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CC12CC[C@H]3[C@@H](CCC4CC(CCC34C)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
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C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OC(=O)CBr)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
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C[C@]12CCC3C(CC[C@@]4(O)C[C@@H](O)CC[C@]34C#N)[C@]1(O)CC[C@H]2C1=CC(=O)OC1
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CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
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CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C#N)C1(O)CCC2C1=CC(=O)OC1
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C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C#N)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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COC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CCOC(=O)[C@H](C)CC(=O)CC(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
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0.66 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CO
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COC1CCCCC1OC(=O)C=C1CCC(C)C1
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[2H]C([2H])([2H])OC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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0.66 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
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0.66 |
C\C=C\C1OC(=O)C(C)(C)C(=O)C1(C)C
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0.66 |
CC(=O)OC1CCC2C3C=CC4C(C)(C)C(=O)CCC4(C)C3CCC12C
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CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
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0.66 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
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[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
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0.66 |
CCOC(=O)C(\C)=C\C1CCCCC1
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| MolPort-028-949-468 |
0.66 |
CCOC(=O)C(C)=CC1CCCCC1
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0.66 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
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0.66 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
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CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
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CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
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|
| MolPort-046-793-308 |
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CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
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0.66 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
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0.66 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
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| MolPort-044-561-662 |
0.66 |
CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
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0.66 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
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CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
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CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
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CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
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CCCCCCCCCCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](O)[C@@]4(O)[C@@H]1O)C2=O)C3(C)C
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C[C@H]1[C@@H]2CC[C@](C)(O)C3[C@H]4[C@H]5[C@H](O)[C@@]6(C)O[C@@]7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)C57
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
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C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
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CC(=CC(=O)OCCCCCO)C1CC1
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CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C21O
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OC(=O)CCC1(O)OC(=O)C\C1=C/C(O)=O
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CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C
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COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C
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CCOC(=O)C1=C(N)CCCCC1
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COC(=O)COC(=O)C1=CCCCCC1
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CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO
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O=C1C(=C)[C@@]2(CCC(=C3[C@@]([H])([C@@]2([H])O1)C(C)=CC3=O)C)[H]
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[C@@]1([H])([C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@]12[H])/C=C(\CO)/C(O)=O
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[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(CCC(O)=O)=O)[H]
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C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC=C21)O3
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C(OCC=C(C)C=CC=C(C)C=CC1C(C)(C)CCCC=1C)(=O)CCCCCCCCCCCCCCC
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C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
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C/C(/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C)=C\COC(=O)CCCCCCCCCCCCCCC
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C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
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C1(=O)C2C3CCC(C=C3)C2C(=O)O1
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[C@]12(C)C=CC(C=C1CC[C@@]1([H])C3[C@@](C)(OC(CC3)=O)CCC21)=O
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O=C1O[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)C=C2)CC3)[H])([H])CC1
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C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
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C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
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C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
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C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
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C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
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|
| MCULE-7433867323 |
0.65 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-5454494701 |
0.65 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-1396534041 |
0.65 |
C[C@]12[C@@]3(OC3)[C@H](O[C@@]3(C=C(C(=O)[C@H](O)[C@]13CO)C)[H])[C@H](O)[C@H]2OC(=O)C
|
|
| MCULE-7365003259 |
0.65 |
C1CC2(C)C(C(OC(/C=C/C=C/C=C/C)=O)C=C(C2(O)C(=O)O)C=O)C(C)(C)C1
|
|
| MCULE-3068930035 |
0.65 |
C12=CC(CCC1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)C3(CC1)C)C=C2Cl)OC(CCC)=O
|
|
| MCULE-5179814934 |
0.65 |
C1(C)=C[C@@]2([H])O[C@]3([H])[C@H](O)[C@@H](OC(C)=O)[C@@](C)([C@]43OC4)[C@@]2(CO)[C@H](O)C1=O
|
|
| MCULE-6432981747 |
0.65 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2Cl)[H])OC(CCC)=O
|
|
| MCULE-5872033859 |
0.65 |
C1CC2(C)C3(O)C(O)OC(=O)C3=CCC2C(C)(C)C1
|
|
| MCULE-4937005028 |
0.65 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
|
|
| MCULE-7378439721 |
0.65 |
CC(C1CC1)=CC(OCCCCCO)=O
|
|
| MCULE-4351037464 |
0.65 |
C1(=O)[C@@](O)(C)C[C@@H]([C@@H]2[C@H](OC(=O)C2=C)C=C(C)C(O)C1)OC(=O)C(C)=C
|
|
| MCULE-1435970491 |
0.65 |
C1(/C=C(\C)/C)C(C)(C)C1C(=O)OC1CC(=O)C(CC#C)=C1C
|
|
| MCULE-4645844021 |
0.65 |
C1(O)(CCC(O)=O)OC(CC1=CC(O)=O)=O
|
|
| MCULE-6887763526 |
0.65 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)O
|
|
| MCULE-2395243989 |
0.65 |
C1(Br)(Br)C(=O)C(C(=O)OCC)=CC(C)(C)C1
|
|
| MCULE-9626729691 |
0.65 |
C1(C2=C(C1)C(=O)OC2C(F)(F)F)(C)C
|
|
| MCULE-2716253173 |
0.65 |
C(C)(=O)OC1C=CCC2C(OC(C21)=O)=O
|
|
| MCULE-1198051930 |
0.65 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-5311242901 |
0.65 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-6319746493 |
0.65 |
COC(COC(C1CCCCCC=1)=O)=O
|
|
| MCULE-9350418837 |
0.65 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@](C(=O)C)(OC(=O)C)CC[C@@]4([H])[C@]3([H])C=C(C)C2=CC1=O
|
|
| MCULE-5064582585 |
0.65 |
C12(OCCO1)CCC1C3CCC4=CC5(CCC4(C)C3C(=O)CC21C)OCCO5
|
|
| MCULE-4763981533 |
0.65 |
CC(=O)O[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(C)=C3)[H])([H])CC1)C(=O)C
|
|
| MCULE-5039022522 |
0.65 |
C12(C)CCC3C(C=CC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(C)=O
|
|
| MCULE-6033104668 |
0.65 |
O1C(=O)C(CC(O)C)=CC1C(C)O
|
|
| MCULE-7583895634 |
0.65 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)=O
|
|
| MCULE-8861434212 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(C=CC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-5182543895 |
0.65 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-7128824049 |
0.65 |
[C@@H]12O[C@]1(C(C)C)C(=O)[C@]13O[C@]41C[C@@]1(CCC5C(=O)OCC=5[C@]1([H])C4)[C@]13O[C@H]12
|
|
| MCULE-7155641625 |
0.65 |
C(=O)(OC1CC2CC1CC2)C1C(C(O)=O)C2CC1C=C2
|
|
| MCULE-6651693585 |
0.65 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-8553893906 |
0.65 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
|
|
| MCULE-9186876350 |
0.65 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-5018857376 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
|
|
| MCULE-4909295164 |
0.65 |
C12C(OC(C)=O)CC3C(CCCC3(C)C)C=1C(C(O)=C(C(C)C)C2=O)=O
|
|
| MCULE-8772466243 |
0.65 |
C1CC23CCOC(=O)C2(CCCC3)CC=1
|
|
| MCULE-9975844805 |
0.65 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
|
|
| MCULE-7826570024 |
0.65 |
CC1([C@@H]2CC=C3[C@@]4(C)[C@]([C@@H]([C@H](C(=O)O)CCC(C(C)C)=C)CC4)(C)CC=C3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-8638278493 |
0.65 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
|
|
| MCULE-3133855253 |
0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(O)C2C(C)(C)C1=O
|
|
| MCULE-8316292329 |
0.65 |
C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-7304039848 |
0.65 |
C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-1298920669 |
0.65 |
C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-1499638877 |
0.65 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-5325377420 |
0.65 |
O=C(CCCCCCCCOC(=O)/C=C(/C[C@H]1[C@H](O)[C@H](O)[C@@H](C[C@H]2[C@H]([C@@H](C)[C@H](C)O)O2)CO1)\C)O
|
|
| MCULE-5198741898 |
0.65 |
[C@H]1(O)[C@@H](O)[C@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)OC[C@]1([H])C[C@H]1[C@@]([C@@H](C)[C@@H](O)C)([H])O1
|
|
| MCULE-1584743999 |
0.65 |
[C@]1([H])(C[C@H]2CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@@H](O)C
|
|
| MCULE-5587193921 |
0.65 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-5380264709 |
0.65 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
|
|
| MCULE-6711156232 |
0.65 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-7704363210 |
0.65 |
CCOC(/C(/C)=C1\CCC2(CC2)CC\1)=O
|
|
| MCULE-5828095144 |
0.65 |
[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-3134302963 |
0.65 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-6742056471 |
0.65 |
C1(CCCCCC)=C(Cl)C(OC1=O)=O
|
|
| MCULE-2088102696 |
0.65 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-9891857644 |
0.65 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3
|
|
| MCULE-4985709972 |
0.65 |
C12C(CC=C(C(OC)=O)C1)O2
|
|
| MCULE-8025116603 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1OC(C)=O
|
|
| MCULE-3127663767 |
0.65 |
C1(CCCCC=1N)C(OCC)=O
|
|
| MCULE-3014159189 |
0.65 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3O
|
|
| MCULE-7138852957 |
0.65 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-1984082206 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(CCC(O)=O)=O)C#C)[H]
|
|
| MCULE-3762294950 |
0.65 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1623071973 |
0.65 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(CO)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-3207353819 |
0.65 |
C/C=C(\C(=O)O[C@@H]1[C@]2([C@@H](C(=CC3[C@]4(C(C)(C)C4C[C@@H](C)C2(C3=O)C=C1C)[H])CO)O)O)/C
|
|
| MCULE-6295390344 |
0.65 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])CO)O)O)C
|
|
| MCULE-3337401849 |
0.65 |
[C@@]1(C#C)(OC(=O)CCCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-3780935712 |
0.65 |
C#C[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1)OC(=O)CCCCCC
|
|
| MCULE-8275410960 |
0.65 |
O=C1CC[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](CC[C@@]4(C(=O)COC(=O)C)O)([H])[C@]3([H])CCC2=C1)[H])C
|
|
| MCULE-7406575942 |
0.65 |
C12(C)CC(=O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8390750975 |
0.65 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-9975535341 |
0.65 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-8747453775 |
0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(CCC(=O)O)=O)C2C(C)(C)C1
|
|
| MolPort-003-848-480 |
0.65 |
[2H]C([2H])([2H])C1=C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-006-394-861 |
0.65 |
CC(=O)O[C@@]1(CCC2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-596-386 |
0.65 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-002-527-825 |
0.65 |
CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-005-971-778 |
0.65 |
CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-690-477 |
0.65 |
C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O
|
|
| MolPort-030-042-316 |
0.65 |
CC(=O)OC1(CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-690-478 |
0.65 |
CC1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O
|
|
| MolPort-002-911-069 |
0.65 |
CC12CC(=O)C3C(CCC4=CC5(CCC34C)OCCO5)C1CCC21OCCO1
|
|
| MolPort-005-934-820 |
0.65 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-509-747 |
0.65 |
CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-003-666-225 |
0.65 |
CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-000-835-138 |
0.65 |
CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-001-739-511 |
0.65 |
CC(O)CC1=CC(OC1=O)C(C)O
|
|
| MolPort-006-131-539 |
0.65 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-507-159 |
0.65 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-006-126-540 |
0.65 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-029-999-375 |
0.65 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-088-576 |
0.65 |
OC(=O)C1C2CC(C=C2)C1C(=O)OC1CC2CCC1C2
|
|
| MolPort-030-042-307 |
0.65 |
CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-042-644-560 |
0.65 |
CC(=O)O[C@@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-507-127 |
0.65 |
CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-509-571 |
0.65 |
CC(=O)O[C@@]1(CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-793-021 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3[C@@H](O)C=C2C1
|
|
| MolPort-007-568-898 |
0.65 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-029-943-092 |
0.65 |
CC1(C)C2C(O)C=C3COC(=O)C3(O)C2(C)CCC1=O
|
|
| MolPort-046-700-328 |
0.65 |
COC(=O)C1=CCCC(O)C1
|
|
| MolPort-003-666-882 |
0.65 |
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
|
|
| MolPort-002-512-334 |
0.65 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-046-762-778 |
0.65 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
|
|
| MolPort-046-195-363 |
0.65 |
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
|
|
| MolPort-003-938-896 |
0.65 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-000-207-693 |
0.65 |
COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-021-782-997 |
0.65 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-046-158-400 |
0.65 |
CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
|
|
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0.65 |
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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| MolPort-002-514-753 |
0.65 |
COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-811-198 |
0.65 |
CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
|
|
| MolPort-035-705-803 |
0.65 |
CC(=O)O[C@@H]1CCC(C)(C)[C@H]2C[C@@H](O)C3=C[C@@H](CCC(=O)[C@]12C)C(=C)C3=O
|
|
| MolPort-042-646-607 |
0.65 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C(/C)Cl
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|
| MolPort-019-699-723 |
0.65 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(OC(=O)CCC(O)=O)C#C
|
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0.65 |
CCOC(=O)C1=C(N)CCCC1
|
|
| MolPort-002-529-627 |
0.65 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(OC(=O)CCC(O)=O)C#C
|
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| MolPort-002-527-443 |
0.65 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
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|
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0.65 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C(/C)Cl
|
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| MolPort-002-528-365 |
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CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
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CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@]21CO
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C\C=C(\C)C(=O)O[C@H]1C(C)=CC23[C@H](C)C[C@@H]4[C@H](C(C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
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0.65 |
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
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CCCCCCC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
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|
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0.65 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C
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0.65 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
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0.65 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
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CC1(C)CCCC2(C)C1C(OC(=O)CCC(O)=O)C=C1COC(=O)C21O
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CCNC(=O)NC1CCC(CC1)OC(=O)C1=CCCCC1
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CC1=C(CCC(O)=O)C(=O)OC1=O
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COC(=O)C1C(O)C2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
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CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3C(OC(=O)C3=C)C=C(C)[C@@H]12
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CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
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CCC=CCC1=C(CCCCC(CCC(O)=O)OC(C)=O)CCC1=O
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| MolPort-028-247-126 |
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O=C(CCC1CCCO1)OCC1CCC=CC1
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C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
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C[C@H](O)[C@@H](C)C(=O)O[C@H]1CC(C)=C2[C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)OC(C)=O
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CCCCCCCCCCCC(=O)OC12CC(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C1C2(C)C
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CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
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CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
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CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\CO)=C/COC(C)=O)C=C
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C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
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CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CCC12C)C#C
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CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C#C
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CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C#N
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CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C#C
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CC(=O)O[C@]1(CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@]12C)C#C
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CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C#C
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[Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
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NC(=O)NCCCOC(=O)C1=CCCCCC1
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CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC
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COC(=O)C1=CCC(CN)CC1
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CC1C=C(C)CC2C1C(=O)OC2=O
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CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
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CO[C@@H]1[C@@H](OC(=O)C(C)C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O
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CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
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CC(C)(C)C1=CC(O)(OC1=O)C(C)(C)C
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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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C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
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C1C(CCCCC(CCC(=O)O)OC(=O)C)=C(C(C1)=O)CC=CCC
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O1C(=O)C(=C(CCC(O)=O)C1=O)C
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OCC1=CC(C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21[H])=O
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[C@@]12([H])C[C@H]3C(C=C(C)[C@@]1([H])[C@H](C[C@@]2(C)O)OC(C)=O)OC(=O)C3=C
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C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
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CCOC(C(C)=C1COC(C)CC1)=O
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CC1OCC(=CC(OC(C)(C)C)=O)CC1
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O=C(OCC1CC=CCC1)CCC1OCCC1
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C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O
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C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
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O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
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[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
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C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
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C1CC(C)(C)[C@@]2([H])[C@@](C)([C@@](CO)(C(=C[C@H]2OC(/C=C/C=C/C)=O)CO)O)C1
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C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
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[C@@]12(C)C(=O)C=C[C@@]1([H])[C@H](C)C[C@@]1([H])OC(=O)C(=C)[C@@]1([H])[C@@H]2O
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C1CC2(C)C3CC=C4C5CC(C)(C)C(OC(=O)/C(/C)=C/CCC(O)(C)C=C)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1OC1C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)CO2)C(O)C(COC2C(O)C(O)C(O)CO2)O1
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O1C23C4(C5(C6(CCC15C=C2)C=CC4(CC3)O6)C(OC)=O)C(OC)=O
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[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2[C@H](C)C1
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CC(C(N)=O)OC(C1CCCCCC=1)=O
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C12=CC(O)CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C
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C1(CCCCC=1)C(OCCCC)C(C)C
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C(C)(C(=O)OCC)=C(C)CCCCCC
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C(C)(=CCCCCCC)C(=O)OCC
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[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@@]2(OC(C)=O)C#N)C)=O
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C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(OC(C)=O)C#C)[H]
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C#C[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1)OC(=O)C
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C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
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[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(OC(C)=O)C#C)[H]
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[C@]12(C)CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C#C)OC(=O)C
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C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
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C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
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[C@]12(C)CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]2(OC(C)=O)C#C
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C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
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O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)(C#C)OC(C)=O
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C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
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O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
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C1(C(CCCCCCCCCCCCC)=O)=C(O)C[C@@]([H])(CCC)OC1=O
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NC(NCCCOC(C1CCCCCC=1)=O)=O
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C1(C(CCCCCCCCCCC)=O)=C(O)C[C@@]([H])(CCC)OC1=O
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| MCULE-6449749404 |
0.64 |
[C@H]12[C@@H](C=C(C)CCC=C(C=O)[C@H](OC)[C@H]1OC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-1153848413 |
0.64 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-5800803041 |
0.64 |
C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
|
|
| MCULE-1647798408 |
0.64 |
C1(O)(C(C)(C)C)C=C(C(=O)O1)C(C)(C)C
|
|
| MCULE-1124925533 |
0.64 |
C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-5491138764 |
0.64 |
C1(=O)C2C(C)C=C(CC2C(=O)O1)C
|
|
| MCULE-5641241273 |
0.64 |
O=C1C2C3C=CC(CCCC3)C2C(=O)O1
|
|
| MCULE-8897168578 |
0.64 |
CC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-9147984208 |
0.64 |
C1(C(O)CC(O)(C)C(C=1)=O)C1OC1C(O)(C)C
|
|
| MCULE-6137852908 |
0.64 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(COC(C)=O)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-2233347949 |
0.64 |
[C@]12(C(C)=O)OCC[C@@]3(C1O)OC3C(=O)OC[C@@]13[C@]4([C@@H](C[C@@]([H])(O[C@]1([H])C=C(C)CC3)C14CO1)OC(=O)C=CCC2)C
|
|
| MCULE-7792538419 |
0.64 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])COC(=O)C)O)O)C
|
|
| MCULE-9611860953 |
0.64 |
C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-2616985564 |
0.64 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
|
|
| MCULE-6952577518 |
0.64 |
C[C@@]12[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1[C@@H](O)C2
|
|
| MCULE-2103729807 |
0.64 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-2127723525 |
0.64 |
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
|
|
| MCULE-7005966850 |
0.64 |
O=C(CCC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)O)O
|
|
| MCULE-1668194860 |
0.64 |
C1CC2(C)C3CCC4(C)C(C5=CC(=O)OC5OC)CCC4(O)C3CCC2CC1O
|
|
| MCULE-8699525011 |
0.64 |
[C@@]123CC[C@H]([C@@]1(O)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-8808813613 |
0.64 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(/C=C/C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-3531606052 |
0.64 |
CC(C(O)=O)=CC=C[C@@]1(C)OC(=O)[C@]23CC=C(C(OC)=O)CC[C@]2(O)[C@H]1CC3
|
|
| MCULE-9513010046 |
0.64 |
C1(C(CCCC)OC(=O)C(F)(F)F)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-5587277376 |
0.64 |
CCOC(C(C)=C1CC2CC(CC2)C1)=O
|
|
| MCULE-3490442378 |
0.64 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-8750855908 |
0.64 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-2563487662 |
0.64 |
[C@]12(C)[C@H](O)CC[C@@](C)(O)C1[C@H]([C@@H]1C(C(=O)O[C@H]1C2)=C)OC(=O)C(C)=CC
|
|
| MCULE-7624822737 |
0.64 |
[C@@H]1(O)C[C@@]2(C3(C(=C[C@H]([C@]2(C(C)(C)C1)[H])O)COC3=O)O)C
|
|
| MCULE-5092150576 |
0.64 |
OC1C(OC(=O)C)CCC(OC(C)C(C=C1)OC(=O)/C=C/C)=O
|
|
| MCULE-5967543500 |
0.64 |
C1CC2(C3(O)C(=CC(O)C2C(C)(C)C1O)COC3=O)C
|
|
| MCULE-1356077791 |
0.64 |
[C@H]12OC(=O)C([C@@H]1[C@@H](OC(/C(/C)=C/CO)=O)CC(=C)[C@]1([H])C=C[C@](O)(C)[C@@]12[H])=C
|
|
| MCULE-8052397157 |
0.64 |
C1C[C@@]2(C3(C(=C[C@H]([C@@]2([H])C(C)(C)C1)O)COC3=O)O)C
|
|
| MCULE-1882447244 |
0.64 |
C1CC2(C)C3CC4(OC)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(C)C1OC(=O)C
|
|
| MCULE-4099453023 |
0.64 |
C1(C(OCC)=O)C(=O)CC(C(OCC)=O)C=1C
|
|
| MCULE-1410893528 |
0.64 |
COC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-9683452020 |
0.64 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-8519306731 |
0.64 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)ON(=O)=O)O)C1COC(=O)C=1
|
|
| MCULE-9093728561 |
0.64 |
C1C[C@]2(C)C3C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@]3([H])[C@@H](O)[C@@H](OC(C)=O)C2[C@@](COC(=O)C)(C)C1
|
|
| MCULE-2291866392 |
0.64 |
CC(O[C@@H](C(O)(C)C)[C@H]1O[C@H]2C[C@@H]3[C@]4(C)[C@H]([C@@]5([C@@H](CC4)C(C)(C)C(=O)CC5)C)[C@@H](O)CC3=C2C(C)(C)C1)=O
|
|
| MCULE-9196010352 |
0.64 |
C[C@@]12[C@]3(CO)[C@](C=C([C@H](C3)OC(=O)CC(C)C)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2O
|
|
| MCULE-9367731136 |
0.64 |
CC1([C@@H](OC(=O)C)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
|
|
| MCULE-1756827328 |
0.64 |
CC1([C@@H]2C(COC(C3CCN(CC(F)(F)F)CC3)=O)=CC[C@H]1C2)C
|
|
| MCULE-3343469308 |
0.64 |
C1[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-4810985269 |
0.64 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-2528413632 |
0.64 |
CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
|
|
| MCULE-9723128082 |
0.64 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MCULE-9337389884 |
0.64 |
C(C)(=O)OC1CC2(CC=C3C(=CCC4(C)C(C(C)CCC(OC)=O)CCC43)C2(C)CC1)[H]
|
|
| MolPort-046-697-385 |
0.64 |
CC(C)(O)C1OC1C1=CC(=O)C(C)(O)CC1O
|
|
| MolPort-046-418-665 |
0.64 |
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)C3=O)C4(C)C
|
|
| MolPort-044-559-905 |
0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-153-082 |
0.64 |
COC1OC(=O)C=C1C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-528-237 |
0.64 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-690-464 |
0.64 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-030-042-294 |
0.64 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-528-277 |
0.64 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-002-507-007 |
0.64 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-596-334 |
0.64 |
C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-038-386-581 |
0.64 |
CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-039-339-063 |
0.64 |
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
|
|
| MolPort-046-782-653 |
0.64 |
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)C=CC=C(C)C(O)=O
|
|
| MolPort-044-183-375 |
0.64 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
|
|
| MolPort-044-183-373 |
0.64 |
[2H]C([2H])(\C=C/CCCCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
|
|
| MolPort-044-183-364 |
0.64 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-035-706-216 |
0.64 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-002-524-702 |
0.64 |
C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](C[C@@]3(C)[C@H](O)CC[C@@](C)(O)C13)OC(=O)C2=C
|
|
| MolPort-046-793-306 |
0.64 |
CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-044-561-396 |
0.64 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-005-944-946 |
0.64 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-023-279-066 |
0.64 |
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-001-739-764 |
0.64 |
CC1(C)C(O)CCC2(C)C1C(O)C=C1COC(=O)C21O
|
|
| MolPort-001-739-435 |
0.64 |
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-005-944-113 |
0.64 |
CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-039-339-222 |
0.64 |
C\C(=C/CO)C(=O)O[C@H]1CC(=C)[C@@H]2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-005-944-309 |
0.64 |
C\C=C\C(=O)OC1\C=C\C(O)C(CCC(=O)OC1C)OC(C)=O
|
|
| MolPort-002-529-101 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C=O)O[N+]([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-039-338-271 |
0.64 |
C\C=C(\C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O
|
|
| MolPort-035-691-408 |
0.64 |
C[C@@]12C[C@@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)CC[C@@]3(C)[C@@H](O)C1OC2=O
|
|
| MolPort-039-338-272 |
0.64 |
C\C=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O
|
|
| MolPort-044-561-715 |
0.64 |
CC(C)CC(=O)O[C@H]1C[C@@]2(CO)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-019-937-419 |
0.64 |
CO[C@@]12CC3[C@@H]([C@@H](O)[C@@H](OC(C)=O)C4[C@](C)(COC(C)=O)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2
|
|
| MolPort-002-691-856 |
0.64 |
CC1=CC2C3C(C4C3C(=O)OC4=O)C1C1C2C(=O)OC1=O
|
|
| MolPort-005-945-904 |
0.64 |
COC12CC3C(C(O)C(OC(C)=O)C4C(C)(C)C(CCC34C)OC(C)=O)C(C)C1=CC(=O)O2
|
|
| MolPort-000-818-525 |
0.64 |
C[C@]12CC[C@H]3C(CCC4CC(CC[C@]34C=O)O[N+]([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-039-338-561 |
0.64 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-039-338-564 |
0.64 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-044-649-744 |
0.64 |
CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(CO)C=C4C=O
|
|
| MolPort-020-066-321 |
0.64 |
CC1(C)[C@@H]2C[C@H]1C(COC(=O)C1CCN(CC(F)(F)F)CC1)=CC2
|
|
| MolPort-039-339-023 |
0.64 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-035-706-361 |
0.64 |
CC1=CC[C@H](OC1=O)C(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@]12CO3
|
|
| MolPort-044-831-066 |
0.64 |
C[C@H]1C[C@@H]2OC(=O)C(=C)C2CC=C1\C=C\C(C)=O
|
|
| MolPort-039-337-161 |
0.64 |
CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-052-387 |
0.64 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
|
|
| MolPort-028-854-627 |
0.63 |
CC(=O)O[C@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@@H](CC[C@]4(O)C3CC[C@]2(O)C1)C1OC(=O)C=C1
|
|
| MolPort-038-934-327 |
0.63 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-044-811-197 |
0.63 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4C=O
|
|
| MolPort-001-741-130 |
0.63 |
CC1=C2CCC(=O)O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-765-477 |
0.63 |
C[C@]12CC[C@H]3C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](S)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-007-549-404 |
0.63 |
CC(=O)OC1CCC2(C#N)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
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| MolPort-046-689-047 |
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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| MolPort-002-513-468 |
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C\C1=C/CCC2C(OC(=O)C2CN2CCCCC2)\C=C(C)\CC1
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|
| MolPort-001-728-767 |
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CC(=O)OC1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@@H](CCC4(O)C3CCC2(O)C1)C1OC(=O)C=C1
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| MolPort-039-052-417 |
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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| MolPort-002-513-811 |
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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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| MolPort-028-196-343 |
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O=C(CC1CCCC1)OCC1CCC=CC1
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| MolPort-001-740-033 |
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C\C=C(/C)C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O
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CC(=O)O[C@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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CCCCCCC\C=C1\CC(=O)OC1=O
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CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
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C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
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CCOC(=O)C1=CCCC2(C1)OCCO2
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C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
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C\C=C\C=C\C=C\C(=O)O[C@@H]1C=C(CO)C(O)(C(O)=O)[C@@]2(C)CCCC(C)(C)[C@H]12
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
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[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O
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[NaH].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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[Na+].C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]34C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC([O-])=O
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CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C\CCCC(O)=O
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CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C/CCCC(O)=O
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CCCC1CC=CC(=O)O1
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CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
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[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
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[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
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[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
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C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
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[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCC)=O
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C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
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C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
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CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
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[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
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| MCULE-1257490890 |
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
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|
| MCULE-1900297968 |
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
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|
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CCCCCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
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0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
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0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
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0.63 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
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0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
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|
| MCULE-4139907319 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-5476020058 |
0.63 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-7271710617 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-1587965499 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
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CCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-8608886418 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
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|
| MCULE-3582226231 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-7973895970 |
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])CC=C2C[C@H]1OC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-9783531925 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
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|
| MCULE-8572432727 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-6092837871 |
0.63 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-6785867509 |
0.63 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCCC)CC1=CC2)[H]
|
|
| MCULE-4593875674 |
0.63 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-8057071681 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-7995984986 |
0.63 |
CCCCC(CC)COC(C1CC=CCC1C(OCC(CC)CCCC)=O)=O
|
|
| MCULE-2831209997 |
0.63 |
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)CCCCCC)CC[C@]21C)=O
|
|
| MCULE-9767686096 |
0.63 |
C[C@]12CC[C@H](OC(=O)CCCCCCCCCCCCC)CC1=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-7313126879 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-3362097880 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-3824820609 |
0.63 |
C1(C)CC2(C(=O)OC(=O)C2(C)CC=1)C
|
|
| MCULE-9770266464 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7609787636 |
0.63 |
O1C(=O)C2C(CC(=CC2)C)C1=O
|
|
| MCULE-7551134886 |
0.63 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-1361205448 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-6594306024 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8977795489 |
0.63 |
CCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-7300055150 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-9956647861 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-3557825189 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1413309866 |
0.63 |
CC1CC2C(OC(=O)C2CC=1C)=O
|
|
| MCULE-7520151391 |
0.63 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-5475024726 |
0.63 |
[C@@H]1(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC=2
|
|
| MCULE-4311810496 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-7560687727 |
0.63 |
[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-1286036245 |
0.63 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC)CC1=CC2)[H]
|
|
| MCULE-1091492885 |
0.63 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-4016604549 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-2730494737 |
0.63 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-6883610361 |
0.63 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MCULE-3307164216 |
0.63 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)ON(=O)=O)[H])C1COC(=O)C=1
|
|
| MCULE-1385802339 |
0.63 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)ON(=O)=O)[H])C1COC(=O)C=1
|
|
| MCULE-4935129848 |
0.63 |
C12=CC[C@]3(C(CC[C@]3(O)C(=O)COC(C)=O)C1CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-4800012179 |
0.63 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-2156810295 |
0.63 |
[C@]12(C)CCC(C=C1[C@@H](C)CC1C3[C@@](C)([C@@](CC3)(O)C(=O)COC(C)=O)CC=C21)=O
|
|
| MCULE-5417027317 |
0.63 |
O(C1C(O)CCC(=O)OC(C)C(OC(=O)/C=C/C)C=C1)C(C)=O
|
|
| MCULE-2377407418 |
0.63 |
[C@]12([H])CC3=C(C)C(=O)O[C@@]3(OC)C[C@@](O)(C)[C@@]1([H])CC[C@@]2(O)C
|
|
| MCULE-5646290232 |
0.63 |
C1(=O)C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
|
|
| MCULE-8850427155 |
0.63 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(CO)=C3C[C@@]3([H])[C@](O)(COC(=O)/C(/C)=C/C)[C@H]5C[C@H]5[C@]3(C)[C@]4([H])CC3=C2[C@](C)([C@@H]2C[C@@H]23)[C@@H](O)C\1=O
|
|
| MCULE-1137152976 |
0.63 |
C1(CN2CCCCC2)C2CCC=C(C)CCC(C)=CC2OC1=O
|
|
| MCULE-8456669141 |
0.63 |
C1(=C2CCC(O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)=O)C
|
|
| MCULE-1371851391 |
0.63 |
C12C(=O)OC(O)C=1CC(OC)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-4739282187 |
0.63 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(C)=O)C#N
|
|
| MCULE-3099528969 |
0.63 |
C12(CCC(CC1(O)CC[C@]1([H])[C@]2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(C)=O)C#N
|
|
| MCULE-2800707831 |
0.63 |
C1[C@]2([C@@]3(C)[C@H]([C@@H]4[C@H](S)CC5[C@@](C)(CCC(=O)C=5)[C@H]4CC3)CC2)OC(=O)C1
|
|
| MCULE-5998876996 |
0.63 |
O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
|
|
| MCULE-9513148820 |
0.63 |
O=C1C=C(CCC2OCCCC2)CCC1
|
|
| MCULE-8166977907 |
0.63 |
O=C(OCC1CC=CCC1)CC1CCCC1
|
|
| MCULE-2403352810 |
0.63 |
C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-2054566768 |
0.63 |
[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
|
|
| MCULE-5318681089 |
0.63 |
CC1OCC(=CC(C)=O)CC1
|
|
| MCULE-8302905584 |
0.63 |
C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3
|
|
| MCULE-8081626398 |
0.63 |
C1(OC(/C=C/C(O)C(C)O)C(CC1)OC(=O)/C(/C)=C/C)=O
|
|
| MCULE-9652400026 |
0.63 |
O=C1CCC2(C)C3CCC4(C)C(O)(C(COC(C)=O)OC(C)=O)CCC4C3CCC2=C1
|
|
| MCULE-6390957697 |
0.63 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-8824249409 |
0.63 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-8661398095 |
0.63 |
CCOC(C(C)=C1C(C)CCCCC1)=O
|
|
| MCULE-8494008475 |
0.63 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-1397397840 |
0.63 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
|
|
| MCULE-3543018898 |
0.63 |
CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-3392411245 |
0.63 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-5390730136 |
0.63 |
O1C2(CCC=C(C(OCC)=O)C2)OCC1
|
|
| MCULE-8782047011 |
0.63 |
[C@@]12(OC(=O)C)C[C@H]([C@]3(O)[C@]4([H])C=C(C)C(=O)[C@]4(CC(CO)=C[C@@]3([H])[C@]1([H])C2(C)C)O)C
|
|
| MCULE-6680939605 |
0.63 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C=CC
|
|
| MCULE-1252077735 |
0.63 |
C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-3623108676 |
0.63 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
|
|
| MCULE-9425225826 |
0.63 |
C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-2769077006 |
0.63 |
C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
|
|
| MCULE-7919639616 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-1795899971 |
0.63 |
C1CC23C(=O)OC(=O)C2(CCC3)CC=1
|
|
| MCULE-8726454334 |
0.63 |
[C@@]12(C)[C@@H](O)CC=C(C)[C@@]1([H])[C@H]1[C@H](C(C(=O)O1)=C)[C@H](O)C2
|
|
| MCULE-7706016137 |
0.63 |
[Na+].[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O)O
|
|
| MCULE-7567944474 |
0.63 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O
|
|
| MCULE-7583261760 |
0.63 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC([O-])=O)=O)[H].[Na+]
|
|
| MCULE-7982451162 |
0.63 |
O1C23C4CCC(C5COC(C=5)=O)C4(C)CCC2C2(C1OC)CCC(O)CC2(O)CC3
|
|
| MCULE-3893076732 |
0.63 |
COC(C=C1COC(C)CC1)=O
|
|
| MCULE-9033649357 |
0.63 |
CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
|
|
| MCULE-4463171772 |
0.63 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-6050817620 |
0.63 |
C1(C(O)C2(CO2)C2(C)C(C(C(CC2)C)(CCC2=CC(=O)OC2O)C)C1)O
|
|
| MCULE-4329306127 |
0.63 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)C
|
|
| MCULE-4484538949 |
0.63 |
C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
|
|
| MCULE-5307843642 |
0.63 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]2(O)C(COC(=O)CCC)=O)=CC(=O)C1
|
|
| MCULE-5966997792 |
0.63 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-7578948094 |
0.63 |
C1(C(=O)OCC)CC2(CC2)CC=1C#N
|
|
| MCULE-9206020628 |
0.63 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-2152785861 |
0.63 |
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@@]4([H])[C@]3([H])C[C@H]3O[C@@]23[C@@H](O)C1
|
|
| MCULE-2652266780 |
0.63 |
C(C=CCCCCCCCC(=O)OCCCC)[C@H](O)CCCCCC
|
|
| MCULE-1400366705 |
0.63 |
[C@H]12C[C@H]1[C@H]1C=C[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21
|
|
| MCULE-9414880096 |
0.63 |
C1(CC2C=CC(O2)C1)=CC(OC)=O
|
|
| MCULE-5289910824 |
0.63 |
C12CC1C1C=CC2C2C(=O)OC(=O)C21
|
|
| MCULE-5472477242 |
0.63 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
|
|
| MCULE-9897298185 |
0.63 |
C12C(C(=O)OC1=O)C13CCCCC1=CC2C1C(=O)OC(=O)C31
|
|
| MCULE-5067610229 |
0.63 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-5176587980 |
0.63 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-2602485743 |
0.63 |
C123CC(C)CCC1=C(C(C1C(OC(=O)C21)=O)C1C(OC(=O)C31)=O)C
|
|
| MCULE-5393900833 |
0.63 |
C(C)(=O)OC1CCC2(C)C3(C4C(OC(C4C4(C5CCC(C(C)C=CC(C)C(C)C)C5(C)CCC42[H])C=C3)=O)=O)C1
|
|
| MCULE-2585190354 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC2=C(COC(C)=O)C#N)[H]
|
|
| MCULE-3232378757 |
0.63 |
C12(C)C=C(C)C(C3C(OC(=O)C13)=O)C1C(OC(=O)C21)=O
|
|
| MCULE-1729468181 |
0.63 |
C1=CC2C3CC(=O)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-3458261213 |
0.63 |
C12C3C(=O)OC(=O)C3C(C3C1C(=O)OC3=O)C=C2
|
|
| MCULE-5086433803 |
0.63 |
CC1[C@@H]2CC([C@@]3([C@@H]([C@@]2(C)[C@H](O)C(=O)C=1)[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@H]1C)C)=O
|
|
| MCULE-6414357750 |
0.63 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(=C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-8187072901 |
0.63 |
C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
|
|
| MCULE-6263626972 |
0.63 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@@]2([H])C(C)=C1
|
|
| MCULE-4325006445 |
0.63 |
[C@@H]1(O)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
|
|
| MCULE-2899010746 |
0.63 |
C1(C(CCC)OC(=O)C(F)(F)F)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-3799754175 |
0.63 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1=O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-3982920419 |
0.63 |
[C@@]123CC[C@H]([C@@]1(O)CCC(C(=O)O)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-2457325018 |
0.63 |
C1CC(CCCCC(OCC)=O)CCC=1C
|
|
| MCULE-3263354032 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7699673107 |
0.63 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-3951215552 |
0.63 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-3568637165 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6581533408 |
0.63 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MolPort-039-338-189 |
0.63 |
CC(COC(C)=O)C1=C(O)C(=O)C2=C([C@@H](C[C@H]3C(C)(C)CCC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-006-111-530 |
0.63 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
|
|
| MolPort-006-118-258 |
0.63 |
CCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-001-741-549 |
0.63 |
CC1CCC2(C)C(CC(O)C(O)C22CO2)C1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-046-509-030 |
0.63 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-046-596-362 |
0.63 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-046-418-658 |
0.63 |
CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-023-274-323 |
0.63 |
C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
|
|
| MolPort-001-766-634 |
0.63 |
CC1CCC2=C(C)C3C4C(C(=O)OC4=O)C2(C1)C1C3C(=O)OC1=O
|
|
| MolPort-001-764-881 |
0.63 |
O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O
|
|
| MolPort-002-511-603 |
0.63 |
C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
|
|
| MolPort-000-145-850 |
0.63 |
CC1=CC2(C)C3C(C1C1C2C(=O)OC1=O)C(=O)OC3=O
|
|
| MolPort-004-951-336 |
0.63 |
O=C1OC(=O)C2C1C1C=CC2C2CC12
|
|
| MolPort-044-723-377 |
0.63 |
C[C@H](CC(=O)C(=C)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-035-705-935 |
0.63 |
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
|
|
| MolPort-046-765-459 |
0.63 |
C[C@]12C[C@H]3O[C@]33C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](CC1=CC(=O)CC[C@@]31C)C(O)=O
|
|
| MolPort-005-945-744 |
0.63 |
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
|
|
| MolPort-039-338-915 |
0.63 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)C2CC1=O
|
|
| MolPort-039-052-556 |
0.63 |
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
|
|
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0.63 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2CC1=O
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0.63 |
CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
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0.63 |
C\C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@@]2(O)CCC(=CC3)C(O)=O)C(O)=O
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|
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0.63 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1OC
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|
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0.63 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)OC(C)=O
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0.63 |
CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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0.63 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCCC
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0.63 |
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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0.63 |
CC1=CCC2C(C1)C(=O)OC2=O
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0.63 |
C\C=C\C(=O)OC1\C=C\C(OC(C)=O)C(O)CCC(=O)OC1C
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[Na+].C[C@H](O)[C@H](C)C(O)[C@@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O1
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CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCC
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CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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[Na+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCC\C=C\CCC([O-])=O)[C@H](O)[C@@H]1O
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CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCC
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CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC1CCCCC1
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C\C=C(\C)C(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@H](C)[C@H]13)C(C)=CC2=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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CO[C@]12C[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H]3CC1=C(C)C(=O)O2
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC1CCCCC1
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CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C1CCCC1
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CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCC
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CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C12CC3C[C@@H](CC(C3)C1)C2
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C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
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CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C=C2OC1=O
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CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCC
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC1CCCCC1
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C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC=C2[C@@]2(C)CCC(=O)C=C12
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)OC4CC5CCC4C5)C3CC=C2C1
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
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CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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CC1=C(C)CC2C(C1)C(=O)OC2=O
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CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCC
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCC
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CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC1CCCCC1
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CCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCCC
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CCCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@](O)(COC(=O)C(\C)=C\C)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O
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CC(=O)OCC(=O)C1(O)CCC2C1CC(O)C1C2CCC2=CC(=O)CCC12
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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CC12CC[C@@H]3[C@H](OC(=O)C3(C)C)C(=C)CCC1O2
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COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)C3CC[C@@]4(C)CC3(CCC12)C=C4
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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
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CC(C)(O)C1OC1C1=CC(=O)C(C)(O)C(O)C1O
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CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
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C[C@@H]1CC2C3CCC4CC(=O)C=CC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(=O)COC(C)=O
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COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
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C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC(O)C2[C@@]2(C)CCC(=O)C=C12
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COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
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C\C=C(\C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O
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CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
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C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1C(=O)OC2=O
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0.62 |
CCC1(C)O[C@@H]2C[C@H]3C(=O)C=C4C(CC[C@]5(C)C(CC[C@@]45O)[C@@]4(C)OC(C)(CC)OC4CCC(C)(C)O)[C@@]3(C)C[C@@H]2O1
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CC1=C2[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O
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CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)(C)C1
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CC1CCCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)C1
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CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC1
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C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C=C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](OC(C)=O)C(C)(C)O
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CC12OC(C)(C=C1)C1C2C(=O)OC1=O
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CC12OC(C=C1)C1C2C(=O)OC1=O
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C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(C)=CC(=O)[C@@H](O)[C@]4(C)C([C@H](O)[C@@H]1O)[C@]23C
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O=C1OC(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
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O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12
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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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CCC(=O)OC1C[C@@H]2C[C@H]1C1CC=CC21
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CCCC(=O)OC\C=C(/C)CCC=C(C)C
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CCCC(=O)OC\C=C(\C)CCC=C(C)C
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CC(=O)O[C@H]1C(=C)C2C[C@@]11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
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CCC(=O)OC1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21
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CCC(=O)OC1CC2CC1C1CC=CC21
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CC(=O)O[C@@H]1C(=C)[C@H]2C[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
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CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34C=O)OC(=O)C[N+](C)(C)C)C1(O)CCC2C1=CC(=O)OC1
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CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
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CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
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[NH3+]CCCN(CCO)CCO.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
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CC(=C)C1CCC(COC(=O)C2CCN(CC2)C(C)=O)=CC1
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C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3CC1C(=C)CC[C@H]2O
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CC1C=CC2CCCCC2C1CCC1CC(O)CC(=O)O1
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CCC(=O)OC1CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
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COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@H](CCC2=O)C1O
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CCC(=O)OC1CC2C3CCC4=CC(=O)C=CC4(C)C3CCC2(C)C1
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CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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CCCCCC(=O)OC1C=C2COC(O)C2(O)C2(C)C(O)CCC(C)(C)C12
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COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
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[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
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CC1CC(=O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C12
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C\C(=C/CCC(C)(O)C=C)C1CC=C(C)C(=O)O1
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CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
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C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CC(OCCC(O)=O)=O
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CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
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CC(=O)OCC(=O)[C@@]1([C@]2(C[C@@H]([C@@H]3[C@]4(C)C(=CC(=O)CC4)CC[C@H]3[C@@H]2CC1)O)C)O
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CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
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0.62 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
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0.62 |
C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
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C12([H])CC(O)C3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(O)C(=O)COC(C)=O)[H]
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[C@@]12(C)CCC[C@@](C)(COC(CCC(OC)=O)=O)C1CCC13C[C@](C=C1)(C)CCC32
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CC(OC(C1C2C=CC(CC2)C1)=O)C
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C12CCC(C=C1)CC2C(OCC)=O
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CC(OCC([C@@]1([C@]2(C)[C@H]([C@H]3[C@H]([C@H](C2)O)[C@]2(C)C(=CC(CC2)=O)CC3)CC1)O)=O)=O
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CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
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C12(C)C[C@H](C3C4(C)C=CC(=O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)COC(=O)C)O
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C1C(=O)C(C)(O)C(O)C(O)C=1C1OC1C(O)(C)C
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[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(C[C@@H](C4=CC(=O)CC[C@]34C)C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
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C1(C(COC1=O)OC(C)=O)=CCC1C(=C)CCC2C1(C)CCC(C2(C)COC(C)=O)OC(C)=O
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OC1OC(=O)C=C1C1CC=C(CCC=C(C)CCC2=C(CCCC2(C)C)C)C(O)O1
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C12C(=O)OC(=O)C1C1C=CC2(C)O1
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C12=CC(=O)[C@]3([C@](C)(C[C@H]4[C@@H](C3)OC(C)(CC)O4)C1CC[C@]1(C)C(CC[C@@]21O)[C@]1(C)C(CCC(C)(C)O)OC(C)(CC)O1)[H]
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=C(COC(=O)C)C#N
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O=C1CCC2(C)C3C4CC5(C(O)O4)C(CCC5C3CCC2=C1)C(COC(C)=O)=O
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C1(=O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)[C@H](C)C4C(O[C@@H]([C@]34C)[C@H](O)C2C(C)=C1)=O
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C1(CC2CCC1(OC)C=C2)C(OC)=O
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C12C(=O)OC(=O)C1C1CCCC2C=C1
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C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O
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C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
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| MCULE-7718531263 |
0.62 |
C1(=O)C2C3CC(C=C3)C2C(=O)O1
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[C@]12([H])C(=O)OC(=O)[C@@]1([H])[C@]1([H])C[C@@]2([H])C(=C1)C
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0.62 |
C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
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O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
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O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
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C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
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C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
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0.62 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O
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C12CC(CC1OC(CC)=O)C1C=CCC21
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CCCC(=O)OC/C=C(/CC/C=C(/C)\C)\C
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C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
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CCOC(C(C)=C1C2(CCCC2)CC1)=O
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[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H]
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C(C)(CC/C=C(\C)/C)=CCOC(=O)CCC
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C1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H](OC(=O)/C(=C\C)/C)C(=CC(=O)C=1)C)C
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0.62 |
CC(C1CC=C(COC(C2CCN(C(C)=O)CC2)=O)CC1)=C
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0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1
|
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0.62 |
[C@]12(O)CC[C@@H](C1(C)CCC1C2CC[C@]2(C1(C=O)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1
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| MCULE-2307310731 |
0.62 |
[C@]1(C(=O)CO)(OC(=O)CCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C
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| MCULE-8222265685 |
0.62 |
C1(CC23CC(OC2CCC1(O)C3)=O)/C(/C)=C\C(=O)/C=C(\C)/C
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C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
|
|
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0.62 |
[H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3([H])[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(OC(CCC)=O)CC2)CCC(=O)C=4)[H]
|
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| MCULE-4613990318 |
0.62 |
O=C1CCC2(C)C3C(CC4(C)C(O)(CCC4C3CCC2=C1)C(COC(C)=O)([H])OC(C)=O)=O
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C12C(O)CC3C=CC(C=C1C(OC)=O)C32
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|
| MCULE-3492234187 |
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O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
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|
| MCULE-5925791453 |
0.62 |
[C@]12(C)C=CC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)=O
|
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| MCULE-7498482995 |
0.62 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CC(C2)OC(CC)=O)C)=O
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|
| MCULE-5753734207 |
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C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
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|
| MCULE-4300685547 |
0.62 |
C1(C)C(C)C(CC(=O)CC(=O)OCC)C(=O)C=1
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|
| MCULE-4714068349 |
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CCCC1C(=CC(C)=O)COC1
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|
| MCULE-1531690228 |
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C1(COC(=O)C)C(C(=O)O)CC(C)=CC1
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| MCULE-9464302631 |
0.62 |
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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|
| MCULE-1111304263 |
0.62 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-4306149194 |
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[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
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|
| MCULE-4777670330 |
0.62 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-2319475587 |
0.62 |
C1C[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@]5(CCC(=O)O5)CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC2=CC1=O
|
|
| MCULE-1444566715 |
0.62 |
C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)C1)=O
|
|
| MCULE-1897292950 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)[C@H](O)[C@@]2([H])C(C)=C1
|
|
| MCULE-7854744392 |
0.62 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-6834807417 |
0.62 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.62 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-1733908720 |
0.62 |
CCCCCCCCCCCCOC(CCCCCCCC=CCC=CCCCCC)=O
|
|
| MCULE-7076095662 |
0.62 |
O=C(C1CCCC1)OCC1CC=CCC1
|
|
| MCULE-8026798132 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O
|
|
| MCULE-6691336657 |
0.62 |
O=C1[C@H]([C@@]2([C@@]3([C@]4(CO4)[C@]([C@@H](C3)O)([H])O[C@]2([H])C=C1C)C)CO)O
|
|
| MCULE-6924666527 |
0.62 |
C12(C3[C@H](O)C[C@]1(C)[C@@]1(CO)[C@H](O)C(=O)C(=CC1O3)C)OC2
|
|
| MCULE-8766216455 |
0.62 |
C12(C3CC(O)[C@]1(C)[C@@]1(C)C(O)C(=O)C(=CC1O3)C)OC2
|
|
| MCULE-5992308149 |
0.62 |
[C@@]12(CO1)[C@@]1([H])[C@@H](C[C@]2(C)[C@@]2(CO)[C@H](O)C(=O)C(C)=C[C@@]2([H])O1)O
|
|
| MCULE-6218547779 |
0.62 |
C12=CC[C@]3([C@@]([H])(CC[C@]3(O)C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)C=C[C@]21C)C
|
|
| MCULE-2999536771 |
0.62 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]4[C@@H](C3)OC(C)(C)O4)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@]1(C)[C@@H](CCC(C)(C)O)OC(C)(C)O1)[H]
|
|
| MCULE-1363593102 |
0.62 |
C(C)(=O)OC1CCC2(C)C3(C1)C(C=C1C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC12[H])O3
|
|
| MCULE-2014104728 |
0.62 |
[C@]12(C)CC=C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-3584333382 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C=O)=C2Cl)[H]
|
|
| MCULE-6166601724 |
0.62 |
C12=CC(=O)[C@]3(C(C)(C[C@H]4[C@@H](C3)OC(C)(C)O4)[C@@]1([H])CCC1(C)[C@@](CC[C@@]21O)([H])[C@]1(C)[C@@H](CCC(C)(C)O)OC(C)(C)O1)[H]
|
|
| MCULE-3440894485 |
0.62 |
[C@@H]12OC(C)(C)O[C@@H]1C[C@@]1([H])C(=O)C=C3[C@]4(O)CC[C@]([H])([C@@]5(C)OC(C)(C)O[C@@H]5CCC(O)(C)C)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C2
|
|
| MCULE-7005445792 |
0.62 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-9210235948 |
0.62 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
|
|
| MCULE-1244370752 |
0.62 |
C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-7037894510 |
0.62 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-3981843538 |
0.62 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-1956187309 |
0.62 |
CC(C1CC=C(COC(C2OCCOC2)=O)CC1)=C
|
|
| MCULE-5368122801 |
0.62 |
C12(O)CCC([C@@]1(C)CCC1C2CCC2[C@]1(C=NO)CCC(O)C=2)C1COC(=O)C=1
|
|
| MCULE-7022735372 |
0.62 |
C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-9448141357 |
0.62 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MCULE-9381861258 |
0.62 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-3606282792 |
0.62 |
C(OC)(=O)C1CCCC=1
|
|
| MCULE-4622236046 |
0.62 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-2356589109 |
0.62 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-6464473304 |
0.62 |
O=C1C(C(=CCCCCC1)C(OC)=O)C(OC)=O
|
|
| MCULE-1732150336 |
0.62 |
O1C(=O)C(O)C2CC=CC12
|
|
| MCULE-8303728984 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-5099122669 |
0.62 |
[C@]12(C)C[C@@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-1459395786 |
0.62 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-3655756453 |
0.62 |
[C@@H]1(/C=C(\C)/C(O)=O)CC[C@@H](C)[C@@]2([H])[C@@H](CC(=C21)C)OC(C)=O
|
|
| MCULE-9913764168 |
0.62 |
C1(=O)[C@H](O)[C@]2([C@]([H])(C=CC2)O1)[H]
|
|
| MCULE-3958244939 |
0.62 |
C12(O)CC(C(C1(C)CCC1C2CCC2(C1(C)CCC(C2)OC1CC(OC)C(C(C)O1)O)[H])C1COC(=O)C=1)CC(O)=O
|
|
| MCULE-2018917463 |
0.62 |
C1(C(C)OC(=O)C(F)(F)F)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-4756173848 |
0.62 |
C1(C(CC)OC(=O)C(F)(F)F)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-6179991618 |
0.62 |
C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H]
|
|
| MCULE-8645812725 |
0.62 |
C1CCC=CCC=CC(C=CC(OC1C)=O)OC(=O)/C=C\C=C\C=C\C(O)=O
|
|
| MCULE-2678037862 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@]4([H])CC(=O)CC[C@]34C)C1=CC=C2C1COC(=O)C=1)[H]
|
|
| MCULE-3130495610 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(=O)C=CC1=CC=CC=C1
|
|
| MCULE-1607221597 |
0.62 |
C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
|
|
| MCULE-2535432826 |
0.62 |
C1(=O)C[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4([H])[C@@H](OC(/C=C(/C(OC(C)=O)(C)C)\C)=O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1O)C(=O)O
|
|
| MCULE-9361641754 |
0.62 |
[C@]12(O)CC[C@@H](C1(C)CCC1C2CC[C@]2(C1(C=O)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1.[Br-]
|
|
| MCULE-4153038232 |
0.62 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)OC(=O)C[N+](C)(C)C)O)C1COC(=O)C=1.[Br-]
|
|
| MolPort-039-336-980 |
0.62 |
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@](C)([C@]33CO3)[C@@]2(CO)[C@@H](O)C1=O
|
|
| MolPort-046-703-034 |
0.62 |
C=C1CC2(CCCCC2)OC1=O
|
|
| MolPort-039-145-171 |
0.62 |
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-046-067-613 |
0.62 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| MolPort-001-917-870 |
0.62 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-003-925-048 |
0.62 |
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-044-561-106 |
0.62 |
CC1=C[C@H]2O[C@@H]3[C@H](O)CC(C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-006-128-830 |
0.62 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC
|
|
| MolPort-009-018-923 |
0.62 |
CCCCCC1OC1\C=C\C=O
|
|
| MolPort-046-767-512 |
0.62 |
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@](C)([C@]33CO3)[C@@]2(CO)[C@@H](O)C1=O
|
|
| MolPort-005-944-321 |
0.62 |
CC1=CC2OC3CC(O)[C@@](C)(C33CO3)[C@@]2(C)C(O)C1=O
|
|
| MolPort-046-685-782 |
0.62 |
CC1=C[C@H]2O[C@@H]3[C@@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-001-739-610 |
0.62 |
CC1=CC2OC3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-002-529-914 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-002-515-354 |
0.62 |
CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-125 |
0.62 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-596-372 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-035-683-000 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC(C=O)=C4Cl)[C@@H]3CC=C2C1
|
|
| MolPort-035-772-896 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C=O)=C4Cl)C3CC=C2C1
|
|
| MolPort-000-707-490 |
0.62 |
CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5CC4(C)[C@H]3CCC12C
|
|
| MolPort-002-525-398 |
0.62 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-001-742-706 |
0.62 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-027-640-913 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-044-562-012 |
0.62 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-002-893-940 |
0.62 |
CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-001-569-828 |
0.62 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-002-508-703 |
0.62 |
C[C@]12CCC3C(CCC4=CC(O)CC[C@]34\C=N\O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-028-304-194 |
0.62 |
CC(=C)C1CCC(COC(=O)C2COCCO2)=CC1
|
|
| MolPort-044-755-261 |
0.62 |
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-002-800-179 |
0.62 |
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
|
|
| MolPort-035-706-399 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
|
|
| MolPort-035-706-267 |
0.62 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-303 |
0.62 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-002-041-371 |
0.62 |
COC(=O)C1=CCCC1
|
|
| MolPort-019-937-542 |
0.62 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-019-937-543 |
0.62 |
CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-035-706-325 |
0.62 |
CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)OC(C)=O
|
|
| MolPort-035-706-266 |
0.62 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-019-692-088 |
0.62 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
|
|
| MolPort-035-705-866 |
0.62 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@@]23CO[C@@]1(O)[C@@H](O)[C@@H]2C(C)(C)C=CC3=O
|
|
| MolPort-019-936-929 |
0.62 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
|
|
| MolPort-044-183-248 |
0.62 |
O[C@H]1C[C@@H](O)[C@@H]2\C=C\[C@H](CCC3=CC=CC=C3)OC(=O)CCC\C=C/C[C@@H]12
|
|
| MolPort-005-910-916 |
0.62 |
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(CC(O)=O)CC43O)C3=CC(=O)OC3)C2)OC(C)C1O
|
|
| MolPort-044-183-328 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC\C=C/C[C@H]12
|
|
| MolPort-046-596-245 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-007-980-859 |
0.62 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
|
|
| MolPort-006-121-818 |
0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-019-937-189 |
0.62 |
CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-001-742-274 |
0.62 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](OC(C)=O)[C@H]12
|
|
| MolPort-044-649-755 |
0.62 |
CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4COC(C)=O
|
|
| MolPort-002-529-150 |
0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-002-799-473 |
0.62 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MolPort-046-592-360 |
0.62 |
O[C@@H]1[C@@H]2CC=C[C@@H]2OC1=O
|
|
| MolPort-002-527-666 |
0.62 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-513-483 |
0.62 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-002-508-454 |
0.62 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
|
|
| MolPort-003-846-182 |
0.62 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C\C=C\C([O-])=O)[C@@H]12
|
|
| MolPort-003-846-187 |
0.62 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C\C=C\C([O-])=O)[C@@H]12
|
|
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0.62 |
CC(=O)OCOC(=O)[C@H]1[C@@H]2[C@@]3(C)[C@@H](O)C=C[C@@]2(OC3=O)[C@@H]2CC[C@]3(O)C[C@]12CC3=C
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CC12CC[C@H]3C(CCC4CC(=O)CCC34C)C1=CC=C2C1=CC(=O)OC1
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O=C1OC(=O)C2C1C1C=CC2C11CC1
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NCC1CCC(CC1)C(O)=O
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CC12CCC3C(CC=C4CC(CCC34C)OC(=O)\C=C/C3=CC=CC=C3)C1CCC2=O
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CC1=C2C[C@H]3[C@H](CO)[C@H]4C[C@H]4[C@]3(C)C=C2OC1=O
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
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CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
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COC(=O)C1=CC[C@]23CC[C@H]([C@]2(CC1)OC(C)=O)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
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0.61 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-035-706-384 |
0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-459 |
0.61 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
|
|
| MolPort-002-521-459 |
0.61 |
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
|
|
| MolPort-006-130-881 |
0.61 |
CCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-002-512-831 |
0.61 |
CC(=O)OC1CC2(O)C3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]2(C)C1C1=CC(=O)OC1)OC(C)=O
|
|
| MolPort-039-338-615 |
0.61 |
C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-035-706-398 |
0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-046-158-505 |
0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-046-769-931 |
0.61 |
CC(CCOC(C)=O)CC\C=C(/C)C=O
|
|
| MolPort-003-939-612 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-046-697-250 |
0.61 |
CC(CC(O)=O)CC1(O)C(O)C2OC1C=C2C
|
|
| MolPort-001-788-276 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-003-930-188 |
0.61 |
O=C1OC(=O)[C@@H]2C3OC(C=C3)[C@H]12
|
|
| MolPort-001-812-569 |
0.61 |
COC(=O)C1=C(C2C=CC1C1C=CC21)C(=O)OC
|
|
| MolPort-020-005-732 |
0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-042-675-412 |
0.61 |
C[C@@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(CO)=CC3=O
|
|
| MolPort-001-742-636 |
0.61 |
C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-006-668-381 |
0.61 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C(OC(=O)C(C)=C)[C@@]2(C)[C@H]1C=CC2=O
|
|
| MolPort-006-130-828 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-561-586 |
0.61 |
[Ca++].CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@@H](CO)OC1=O.CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@@H](CO)OC1=O
|
|
| MolPort-044-649-594 |
0.61 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-005-945-455 |
0.61 |
CC1C(O)C2(OC(C)=O)C(C3C=C(CO)CC4C(C=C(C)C4=O)C13O)C2(C)C
|
|
| MolPort-002-509-633 |
0.61 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-038-386-485 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-689-506 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-498-498 |
0.61 |
O=C(OCC1=CC(=O)OC1)C1CC2CCCCC(C1)C2=O
|
|
| MolPort-002-535-598 |
0.61 |
CC1OC(OC2CC[C@]3(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O
|
|
| MolPort-007-549-397 |
0.61 |
CC1OC(OC2CCC3(C=O)[C@H]4[C@H](O)CC5(C)C(CCC5(O)[C@@H]4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O
|
|
| MolPort-002-139-577 |
0.61 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MCULE-3431366783 |
0.61 |
C1=C(C)C2OC1C(O)(CC(C)CC(=O)O)C2O
|
|
| MCULE-1322261917 |
0.61 |
C12(O)CC(C([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)OC(C)=O)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-4529551060 |
0.61 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-3230983688 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)C(CC4(O)C3CCC2C1)OC(C)=O
|
|
| MCULE-1640770034 |
0.61 |
C1(C(OC)=O)C2C=CC(C3C=CC32)C=1C(OC)=O
|
|
| MCULE-2917275236 |
0.61 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-9495613593 |
0.61 |
C1([C@@]2([H])C(=C(C)[C@@H](OC(=O)/C(=C\C)/C)[C@@H]([C@@H]3[C@@H]2OC(C3=C)=O)O)C(=O)C=1)C
|
|
| MCULE-4155630515 |
0.61 |
[C@@H]1([C@@]2([H])[C@](C)(C(OC(=O)C(=C)C)[C@@]3(C(=C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-6686022329 |
0.61 |
C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
|
|
| MCULE-3700642394 |
0.61 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@@H]1CCC=2C
|
|
| MCULE-8538526232 |
0.61 |
O(C(C)=O)C12C(C)(C)C1C1C(O)(C(C)C2O)C2C=C(C)C(C2CC(CO)=C1)=O
|
|
| MCULE-3490079306 |
0.61 |
[C@]12(C)C[C@@H](O)[C@]3(C([H])(CCC4(O)CC(CC[C@]34C=O)OC3OC(C)C(C(O)C3O)O)C1(O)CC[C@H]2C1COC(=O)C=1)[H]
|
|
| MCULE-3367603723 |
0.61 |
C12(C)CC(O)C3(C([H])(CCC4(O)CC(CCC34C=O)OC3OC(C)C(C(O)C3O)O)C1(O)CCC2C1COC(=O)C=1)[H]
|
|
| MCULE-7261521640 |
0.61 |
O=C(C1CC2C(=O)C(CCCC2)C1)OCC1COC(=O)C=1
|
|
| MCULE-1255015250 |
0.61 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
|
|
| MCULE-2565102940 |
0.61 |
OC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-3930781117 |
0.61 |
O=C(C12COCC1C2)C1CCCCC=1
|
|
| MCULE-4960489764 |
0.61 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
|
|
| MCULE-7375457275 |
0.61 |
CC(C(O)=O)=C1CC(C2CC2)OC1
|
|
| MCULE-4359391178 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-7140625389 |
0.61 |
C1(O)(CC2C=CC(O2)C1)C(C)C(O)=O
|
|
| MCULE-5522120199 |
0.61 |
C1(O)(CC2C=CC(O2)C1)CC(O)=O
|
|
| MCULE-3522700950 |
0.61 |
C1C(=O)C2(C)C3CCC4(C)C(O)(C(O)(C)C5CC(C)=C(C)C(=O)O5)CC(O)C4(O)C3CC=C2CC=1
|
|
| MCULE-1140499218 |
0.61 |
C1C(=O)[C@@]2(C3CC[C@@]4(C)[C@@](O)(CCC4(O)[C@]([C@@]4([H])OC(=O)C(C)=C(C)C4)(O)C)[C@]3([H])CC=C2CC=1)C
|
|
| MCULE-8359993163 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-1835452878 |
0.61 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-6415597267 |
0.61 |
[C@]12(C)C[C@@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8974355339 |
0.61 |
C12=CC(CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@]3(CC1)C)CC2=C)[H])=O
|
|
| MCULE-9925372485 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-8469102313 |
0.61 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-1183659798 |
0.61 |
[C@]12(C)C(=O)C=C3[C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)C1C[C@]1([H])O[C@]3(CC[C@H](CO3)C)[C@@H](C)[C@]21[H]
|
|
| MCULE-4246019761 |
0.61 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-3860629045 |
0.61 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-7878989239 |
0.61 |
C1C(=O)OC(/C=C(\C)/CCCC(C)C2OC(C)(C)C(=O)C=2)CC=1C
|
|
| MCULE-2036056204 |
0.61 |
C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
|
|
| MCULE-2386800783 |
0.61 |
O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
|
|
| MCULE-6325385060 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MCULE-3099268900 |
0.61 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-7321817046 |
0.61 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-7065478674 |
0.61 |
C1(CC(CC)CC2=C(CC(CC)CC3=C(CCC(=O)O)C(=O)OC3=O)C(=O)OC2=O)=C(/C=C/CC)C(=O)OC1=O
|
|
| MCULE-2046245375 |
0.61 |
C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C
|
|
| MCULE-7422457609 |
0.61 |
CC1(C(C(C2CCCCC=2)=O)CCO1)C
|
|
| MCULE-3246144635 |
0.61 |
O=C(CCC=C(CCC=C(CC/C=C(\C)/C)C)C)OCC=C(CC/C=C(\C)/C)C
|
|
| MCULE-9320966507 |
0.61 |
C/C(=C\CC/C(=C/CC/C(=C/CCC(=O)OC/C=C(/CC/C=C(\C)/C)\C)/C)/C)/C
|
|
| MCULE-9148260149 |
0.61 |
C([C@@]12[C@H]([C@H](O)[C@]3([H])[C@]4(CC(=O)C(O)=C(C)[C@]4([H])C[C@@]4([H])OC(=O)[C@H](OC(=O)/C=C(\C)/C(C)C)[C@]1([H])[C@@]34CO2)C)O)(=O)OC
|
|
| MCULE-8227756693 |
0.61 |
C1(=O)C2C(C)C(C)=CC(/C=C(/C)\C)C2C(=O)O1
|
|
| MCULE-2143241951 |
0.61 |
C12C(=O)CCC=1C1C3C4C5C(C(OC)=O)(C1(C(OC)=O)C4C1C(=O)CCC5=1)C23
|
|
| MCULE-4318512728 |
0.61 |
C1=CC2C=CC3C(C(=O)OC)=CC1C23
|
|
| MCULE-5581720234 |
0.61 |
C12CCC(=O)C=1C1C3C4C5C(C(OC)=O)(C1(C(OC)=O)C4C1C(=O)CCC5=1)C23
|
|
| MCULE-6668637397 |
0.61 |
O=C(/C=C1/CCC2(OCCO2)CC/1)OCC
|
|
| MCULE-4123122678 |
0.61 |
CC(OC(/C=C1\CCC2(OCCO2)CC\1)=O)(C)C
|
|
| MCULE-8673948800 |
0.61 |
C12=CC(=O)[C@]3(C(C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CCC1(C)[C@@](CC[C@@]21O)([H])[C@]1(C)[C@@H](CCC(C)(C)O)OC(C)(C)O1)[H]
|
|
| MCULE-8954390569 |
0.61 |
C=C1C(=O)OC[C@]2(CCC[C@@]3(C[C@@H](O)[C@@H]1C=C23)C)[H]
|
|
| MCULE-7082050674 |
0.61 |
CC([C@@H]([C@H]1O[C@H]2C[C@@H]3[C@]4(CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)CC3=C2C(C)(C)C1)C)O)(O)C
|
|
| MCULE-9442123200 |
0.61 |
O=C1C(=CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)[C@H](O)CO1
|
|
| MCULE-7738581129 |
0.61 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])C/C=C1\[C@@H](O)COC\1=O)O
|
|
| MCULE-2030478341 |
0.61 |
[C@]12([H])C(C)=CC(=O)C1=C(C)CC[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-5521128905 |
0.61 |
C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)C/C=C2\[C@H](O)COC\2=O)C1)[H]
|
|
| MCULE-4379391397 |
0.61 |
C12(C)CCC(C(C)(CO)C1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
|
|
| MCULE-4619084731 |
0.61 |
C1C[C@@]2(C)[C@@](C/C=C3/[C@H](O)COC/3=O)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-1226859520 |
0.61 |
O=C1/C(=C/CC2C3(C)C(C(C(CC3)O)(CO)C)CCC2=C)/C(O)CO1
|
|
| MCULE-8461763255 |
0.61 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
|
|
| MCULE-8380731028 |
0.61 |
C12[C@@H](C)C[C@@H](C[C@]1(C)C[C@@H]1[C@H](C=2)C(=C)C(O1)=O)O
|
|
| MCULE-9977303983 |
0.61 |
C[C@]12C[C@]3([H])O[C@]([H])([C@@H](O)C(O)(C)C)C[C@@H](C)C3=C1C[C@H](O)[C@@]1([H])[C@]3(CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)C
|
|
| MCULE-2391458670 |
0.61 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@]5(C)OC(C)(C)O[C@@H]5CCC(O)(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-6184262602 |
0.61 |
C12(C)CCC(C(C)(CO)C1CCC(=C)C2C/C=C1/C(O)COC/1=O)O
|
|
| MCULE-1564688046 |
0.61 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-7580934560 |
0.61 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)[C@H]2CC=C1[C@H](O)COC1=O)O
|
|
| MCULE-5162812783 |
0.61 |
C12C(C)=CC(=O)C1=C(C)CCC1C(C)C(=O)OC12
|
|
| MCULE-3787960701 |
0.61 |
C(=O)(OC1CCC(CC1)C(C)(C)C)C1CC=CCC1C(=O)OC/C(/Cl)=C(/Cl)\Cl
|
|
| MCULE-6682810142 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@@]2([C@]1(C=O)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@H]([C@@H](O)[C@H]1O)O)[H])C1COC(=O)C=1
|
|
| MCULE-9395100930 |
0.61 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-2808584285 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-5937604280 |
0.61 |
C1C2O[C@]2(C[C@]2(O)C(C[C@H]3O[C@@]3(C)C1)=C(C)C(=O)O2)C
|
|
| MCULE-7494362920 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-1285464282 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(C(=C)CC4C3C=C(C2=C1)Cl)(OC(C)=O)C(C)=O
|
|
| MCULE-3383703484 |
0.61 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1CC(O)C(C(C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-7395277343 |
0.61 |
C12(O)CC(CO)=CC3C4C(C)(C)C4(OC(=O)C(C)C)C(OC(=O)/C(=C/C)/C)C(C)C3(O)C1C=C(C)C2=O
|
|
| MCULE-8780454429 |
0.61 |
[C@]12(O)CC(CO)=C[C@@]3([H])C4C(C)(C)[C@]4(OC(=O)C(C)CC)[C@H](OC(=O)/C(=C/C)/C)[C@@H](C)[C@]3(O)C1C=C(C)C2=O
|
|
| MCULE-2195755975 |
0.61 |
C12(O)CC(CO)=CC3C4C(C)(C)C4(OC(=O)C)C(OC(=O)/C(=C/C)/C)C(C)C3(O)C1C=C(C)C2=O
|
|
| MCULE-3197876959 |
0.61 |
CC1([C@@]2(OC(C(C)C)=O)[C@@H]1[C@H]1[C@@]([C@@H]([C@H]2OC(/C(=C/C)/C)=O)C)(O)[C@@H]2C=C(C(=O)[C@@]2(O)CC(CO)=C1)C)C
|
|
| MCULE-1876484367 |
0.61 |
C1(=O)C[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4([H])[C@@H](OC(/C=C(/C)\C)=O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=O)OC
|
|
| MCULE-8645039182 |
0.61 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2[C@]1(C=O)CC[C@@H](C=2)O[C@@H]1OC[C@H]([C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)C1COC(=O)C=1
|
|
| MCULE-8373483440 |
0.61 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C(=O)O)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1OC(=O)CC(C)(C(=O)O)C)C
|
|
| MCULE-5791637196 |
0.61 |
C1CCC23CC12C(O)C=CC3=O
|
|
| MCULE-3066550157 |
0.61 |
[C@@]12(C)CC[C@@]3(C([C@H](C(C)=C)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(CCC(O)=O)=O)C2(C)C)C(O)=O
|
|
| MCULE-6072665694 |
0.61 |
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-7110389607 |
0.61 |
O=C1C=CC2(CCOCC2)CC1
|
|
| MCULE-4426803651 |
0.61 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
|
|
| MCULE-4077568356 |
0.61 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
|
|
| MCULE-2983937435 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@H](O)[C@]2([H])C(C)=O)[H]
|
|
| MCULE-3603972230 |
0.61 |
C1(CCC(=CC2CCCO2)C1=O)=CC1CCCO1
|
|
| MCULE-9783163200 |
0.61 |
[Na+].C1CC2(C)C3CCC4(C)C(C([O-])=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-2887956476 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(C)=O
|
|
| MCULE-4759733755 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(O)C(C)=O
|
|
| MCULE-2808257085 |
0.61 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-2895344878 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
|
|
| MCULE-3773780560 |
0.61 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
|
|
| MCULE-8816644358 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-5520472136 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(O)C(C)=O
|
|
| MCULE-4731152030 |
0.61 |
C1C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-2863294124 |
0.61 |
CC1C(=O)OC2C=1CC1C(C)(C=2)CCCC1=C
|
|
| MCULE-3305666834 |
0.61 |
[C@H]12OC(=O)C([C@@H]1[C@H](OC(/C(/C)=C/CO)=O)C[C@]1(O)CO[C@@H]3C=C(C)[C@@]2([H])[C@]13[H])=C
|
|
| MCULE-3538974417 |
0.61 |
C(OC)(C12C3C=CC(C1(C1C=CC2O1)C(OC)=O)O3)=O
|
|
| MCULE-2901288503 |
0.61 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-7361919999 |
0.61 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-7276862551 |
0.61 |
[C@@]1(OC(=O)CCC)(C(=O)COC(=O)C)CC[C@@]2([H])[C@]3([H])C[C@@H](C4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C
|
|
| MCULE-5559712503 |
0.61 |
C12C3C(C)(CCC(C)(C(OCCN(CC)CC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-2899360955 |
0.61 |
[C@]12(C(=O)COC(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-3657670503 |
0.61 |
C12(C(=O)COC(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-2179458098 |
0.61 |
CCCN(CCCOC(C1CCCC=1)=O)CCC
|
|
| MCULE-6636591937 |
0.61 |
CCC(C(OC)=O)OC(C1CCCC=1)=O
|
|
| MCULE-4351701102 |
0.61 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
|
|
| MCULE-4082383007 |
0.61 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
|
|
| MCULE-9289500370 |
0.61 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-3731139584 |
0.61 |
[C@@H]1(OC(=O)C)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
|
|
| MCULE-3115638650 |
0.61 |
CC1([C@@H]2C(COC(C3OCCOC3)=O)=CC[C@H]1C2)C
|
|
| MCULE-1074800625 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
|
|
| MCULE-5145383615 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-7379708485 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
| MCULE-9076166215 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-5701442831 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-8460337326 |
0.61 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-4068140047 |
0.61 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-7088876584 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-6652384834 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-9533823250 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-9491535728 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-1105300545 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-7993538244 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-2355974075 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCO)CCC4C3CC=C2C1
|
|
| MCULE-4825273969 |
0.61 |
[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-6215028771 |
0.61 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCC)CC1=CC2)[H]
|
|
| MCULE-9886067523 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](CC)[C@@H]2C(C)=O)[H]
|
|
| MCULE-9728792876 |
0.61 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-7409296969 |
0.61 |
[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-4605464077 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
|
|
| MCULE-2274449987 |
0.61 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-9028214804 |
0.61 |
[C@@H]1(OC(C)=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC=2
|
|
| MCULE-2991933231 |
0.61 |
[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
|
|
| MCULE-4910370058 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
|
|
| MCULE-8183627372 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-3093682807 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-3655751389 |
0.61 |
[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-4121090747 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-3880817234 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-9512042267 |
0.61 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
|
|
| MCULE-6563972685 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-6118345848 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-2565904577 |
0.61 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-8712822346 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-2803933654 |
0.61 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-3918182667 |
0.61 |
C12OC1CC(C(=O)OCC)=CC2OC(CC)CC
|
|
| MCULE-8228471643 |
0.61 |
O1[C@@H]2[C@H]1[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
|
|
| MCULE-1728259151 |
0.61 |
C1=CC(OC(C(O)CCCCC)C1)CCCCCCC(=O)O
|
|
| MCULE-2182894320 |
0.61 |
CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
|
|
| MCULE-9824682578 |
0.61 |
[C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
|
|
| MCULE-9287144806 |
0.61 |
C1=CC2(C)C3CCC4(C)C(C(C)=O)OC(=O)CC4C3CCC2=CC1=O
|
|
| MCULE-5185768432 |
0.61 |
C1(C#N)CC(C)(C)CC=1C(=O)OCC
|
|
| MCULE-6148298687 |
0.61 |
[C@]12(OC(=O)C)CCC(=CC[C@]31CC[C@@]2([H])[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O)C(=O)OC
|
|
| MCULE-3766176641 |
0.61 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(CCC1C=CC=CC=1)=O
|
|
| MCULE-1284271070 |
0.61 |
[C@@]123CC[C@H]([C@@]1(OC(=O)C)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-8237383569 |
0.61 |
C12(OC(=O)C)CCC(C(=O)OC)=CCC31CCC2([H])C(OC3=O)(C)C=CC=C(C)C(=O)O
|
|
| MCULE-9175868071 |
0.61 |
[C@@]123CC[C@H]([C@@]1(OC(=O)C)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)OC)OC3=O
|
|
| MCULE-2181267918 |
0.61 |
O=C(C(=CC=C[C@@]1([C@@]2(CC[C@@]3(C(=O)O1)CC=C(C(=O)OC)CC[C@]23OC(=O)C)[H])C)C)O
|
|
| MCULE-4432547550 |
0.61 |
C(C)(OCCC(C)CCC=C(C)C=O)=O
|
|
| MCULE-6934635209 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C
|
|
| MCULE-3486771028 |
0.61 |
C(CC(=O)OCC)CCCCCC=CCCCCCCCC
|
|
| MCULE-9535038485 |
0.61 |
C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
|
|
| MCULE-8392723345 |
0.61 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-9199968322 |
0.61 |
C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
|
|
| MCULE-8249868726 |
0.61 |
C1(=O)OC([C@@H]2[C@H]3C=C[C@H](O3)[C@@H]21)=O
|
|
| MCULE-8934792698 |
0.61 |
C1(=O)OC(C2C3C=CC(O3)C21)=O
|
|
| MolPort-027-847-947 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(C)=O
|
|
| MolPort-046-596-431 |
0.61 |
CC(=O)OCC(=O)[C@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-528-161 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](C[C@]12C)OC(C)=O
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| MolPort-023-274-269 |
0.61 |
CCC(C)C(=O)OC1C2[C@H](OC(=O)C2=C)\C=C(CO)\CCC=C(CO)[C@@H]1OC(C)=O
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|
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0.61 |
CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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0.61 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC(=O)[C@]23C)O[C@]11CC[C@@H](C)CO1
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CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C=C2)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
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CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@@H](C(C)=O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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0.61 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(C)=O
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C[C@H](CCCOC(C)=O)C1=CC2C(C[C@@]1(C)O)OC(=O)[C@]21CC2[C@@H]3[C@H](C)CC4OC(=O)C(=C)C4CC3=C(C)[C@]12OC(C)=O
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0.61 |
CC1=C(C)C(=O)O[C@@H](C1)[C@](C)(O)C1(O)CC[C@@]2(O)[C@@H]3CC=C4CC=CC(=O)[C@]4(C)C3CC[C@]12C
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CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC(O)C2(O)C3CC=C4CC=CC(=O)C4(C)C3CCC12C
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CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC(=O)O[C@@H]1[C@@H]2CC(=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)CC[C@H](OC(=O)\C=C\C4=CC=CC=C4)C(=C)[C@@H]13)C2(C)C
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CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)=C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C1/C=O
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0.61 |
CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
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0.61 |
CC1(C)CC2C=C(C3COC(=O)C(O)(CO)C23C1)C(O)=O
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CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)C(OC3C(O)C(OC(C)=O)[C@@]2(C)C32CO2)C=C1C
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0.61 |
[NH3+]CCN1CCCCC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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| MolPort-006-668-579 |
0.61 |
CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
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|
| MolPort-035-705-817 |
0.61 |
CC(CCC\C(C)=C\C1CC(C)=CC(=O)O1)C1=CC(=O)C(C)(C)O1
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|
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0.61 |
[NH3+]CCN1CCCCC1.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
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0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
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|
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0.61 |
CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
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|
| MolPort-002-529-183 |
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CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](OC3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]32CO2)C=C1C
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CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CCC=C4CC[C@@]32C)C(C)=C)C1(C)C
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0.61 |
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
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0.61 |
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]32CO2)C=C1C
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0.61 |
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
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| MolPort-044-723-779 |
0.61 |
CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C
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|
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0.61 |
CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
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0.61 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=O)OC\C=C(/C)CCC=C(C)C
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0.61 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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CC1C2C(C(C=C(C)C)C=C1C)C(=O)OC2=O
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CCOC(=O)C=C1CCC2(CC1)OCCO2
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CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3\[C@H](O)COC3=O)C(=C)CC[C@H]12
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CC(C)(C)C1CCC(CC1)OC(=O)C1CC=CCC1C(=O)OCC(Cl)=C(Cl)Cl
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CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(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]3CC[C@]12C
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CC1C2CCC(C)=C3C([C@H]2OC1=O)C(C)=CC3=O
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@@H](O)COC3=O)C(=C)CC[C@H]12
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C[C@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(C)=CC3=O
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)C(C\C=C3/C(O)COC3=O)C(=C)CC[C@H]12
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CCCCCC(O)\C=C\[C@H]1C(O)CC(=O)C1C\C=C/CCCC(=O)OCC(O)CO
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CC1(CO)C(O)CCC2(C)C(C\C=C3\C(O)COC3=O)C(=C)CCC12
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC=C3[C@H](O)COC3=O)C(=C)CC[C@H]12
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CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(=O)OCC(O)CO)C(O)CC1=O
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CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
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C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
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CC1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/C(O)COC3=O)C(=C)CC[C@H]12
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/C(O)COC3=O)C(=C)CC[C@H]12
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CC1=C2C[C@H]3O[C@@]3(C)CCC3O[C@@]3(C)C[C@@]2(O)OC1=O
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CC1OC(CC(O)C1O)OC1CC[C@]2(C=O)[C@H]3CCC4(C)[C@@H](CCC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
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C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
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C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1CC[C@]2(C=O)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
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CC1OC(CC(O)C1O)OC1CCC2(C=O)[C@H]3CCC4(C)[C@@H](CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
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C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
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C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@@H](CC[C@@H]4C3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H](O)[C@H](O)[C@@H]1O
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COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=CC(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O
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COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3C=C[C@]35OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)C36)CC[C@@]45C)C2(C)C)=C1
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CCC(C)C(=O)O[C@]12C([C@@H]3C=C(CO)C[C@@]4(O)C(C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@H]1OC(=O)C(\C)=C\C)C2(C)C
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C\C=C(/C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(CO)=CC2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C
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C\C=C(/C)C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3(O)CC(CO)=CC2C2C(C)(C)C12OC(C)=O
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C\C=C(/C)C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3(O)CC(CO)=CC2C2C(C)(C)C12OC(=O)C(C)C
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CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=C2C1
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCC
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C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
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O=C1CCC2(CCOCC2)C=C1
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CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@]2(C)C1
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CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
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C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O)OC(C)=O
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CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
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C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
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C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)[C@@H]3CC=C2C1
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CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
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CC(=O)C1=C(C)C(C)(C)OC1=O
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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
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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
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CCOC(=O)C(=C\C1CCOC(C)(CC)C1)\C#N
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CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C)OC(C)=O
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CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O
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CC(=O)O[C@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
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CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C/[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O
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CCC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
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COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(O)C(=O)O2)C13
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CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O
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C\C=C(\C)C(=O)OC1[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)CC(C)=CC(=O)\C=C1\C
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COC(=O)\C=C\[C@@H]1CCC[C@H]2O[C@@H]12
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(O)=O
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CCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)C1=O
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CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
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CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
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CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
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CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
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CCC(CC)O[C@@H]1C=C(C[C@@H]2O[C@H]12)C(=O)OC
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CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45CC[C@H](C6=CC(=O)OC6)[C@@](C)(CC[C@H]34)C5=O)C2)O[C@@H](C)[C@@H]1O
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CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C=C2OC1=O
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CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
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| MCULE-1147559094 |
0.60 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)ON(=O)=O)CON(=O)=O
|
|
| MCULE-5077019992 |
0.60 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)CON(=O)=O
|
|
| MCULE-3003712811 |
0.60 |
C(CC(C)CC)(OC1C(C(C)C)C(O)C=C(CO)C1=O)=O
|
|
| MCULE-5827225386 |
0.60 |
CC/C(/C=C/[C@H]1[C@@H](C)C=CC(=O)O1)=C/[C@@H](C/C=C/C(/C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(/C)=C/C(=O)O)C
|
|
| MCULE-7576822545 |
0.60 |
CCC(C=C[C@H]1[C@@H](C)C=CC(=O)O1)=C[C@@H](CC=CC(C)=C[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC(C)=CC(=O)O)C
|
|
| MCULE-3288258336 |
0.60 |
CCC(C=CC1C(C)C=CC(=O)O1)=CC(CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O)C
|
|
| MCULE-8404556889 |
0.60 |
O=C(C=C(C[C@@H]([C@H]([C@@H](C(=O)[C@@H](C=C(C=CC[C@H](C=C(C=C[C@@H]1OC(=O)C=C[C@@H]1C)CC)C)C)C)C)O)C)C)O
|
|
| MCULE-9732331127 |
0.60 |
C(=C(/CC)\C=C\[C@@H]1[C@@H](C)C=CC(=O)O1)\[C@H](C)C/C=C/C(/C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(/C)=C/C(=O)O
|
|
| MCULE-1558356423 |
0.60 |
[C@]12(O)C(C)=CC(=O)C1=C(C)CCC1[C@@H]2OC(C1=C)=O
|
|
| MCULE-4969717891 |
0.60 |
O1C(C(O)C(O)C(O)C1C)OC1CC(O)C23C(=O)OC4CC5(C)C(C6COC(C=6)=O)CCC5(O)C(CCC2(O)C1)C34
|
|
| MCULE-1683005483 |
0.60 |
C1(C(C)=CC(C=C(C[C@@H]([C@@H]2[C@@H]1OC(=O)C2=C)O)C)=O)OC(/C(/C)=C\C)=O
|
|
| MCULE-1627239407 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
|
|
| MCULE-4753796367 |
0.60 |
C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
|
|
| MCULE-4103920893 |
0.60 |
C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C
|
|
| MCULE-8629208814 |
0.60 |
O=CC1(CCOCC1)CC1CC=CCC1
|
|
| MCULE-8499932204 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
|
|
| MCULE-9600703174 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
|
|
| MCULE-5578038643 |
0.60 |
O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
|
|
| MCULE-3941924250 |
0.60 |
C1(C(OCC)=O)CC1C=CC(O)=O
|
|
| MCULE-6478036230 |
0.60 |
C1CC2(COC(=O)C2([H])CC=1)C
|
|
| MCULE-6570626188 |
0.60 |
C1(C(O[C@]2([H])C[C@]3([C@@]([H])(C[C@@]21[H])[C@]3([H])CCC(O)C)C)=O)=C
|
|
| MCULE-9983704891 |
0.60 |
CC1OCC(=CC(O)=O)CC1
|
|
| MCULE-7226046270 |
0.60 |
C12C(CCC(O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-4508036866 |
0.60 |
[C@]12(C)C[C@H]3OC(C(=C)[C@H]3C[C@]1([C@]2([H])CCC(C)=O)[H])=O
|
|
| MCULE-1705600426 |
0.60 |
C12C(CCC(=O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-3873973273 |
0.60 |
CC1OCC(=C(C(O)=O)C)CC1
|
|
| MCULE-7284631582 |
0.60 |
O=C1C(=C)[C@@]2([H])C[C@@]3([C@@](C[C@@]2([H])O1)(C)[C@H]3CCC(=O)C)[H]
|
|
| MCULE-1191180792 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
|
|
| MCULE-2804316805 |
0.60 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-5079538770 |
0.60 |
C1CC2(C)C3([H])CCC4(C)C([H])(C(CCCC(C)C)C)CCC4([H])C3([H])CC=C2CC1OC(CCC(=O)OCC)=O
|
|
| MCULE-8345937454 |
0.60 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5549232456 |
0.60 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-4783463603 |
0.60 |
OC(C(C=CC1OCCCC1)=O)=O
|
|
| MCULE-5546761279 |
0.60 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)(OC)=O
|
|
| MCULE-2660227283 |
0.60 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-8110589241 |
0.60 |
C12CC1C1C=CC2C(C1C(=O)OC(C)C)C(O)=O
|
|
| MCULE-7580027619 |
0.60 |
C12C(C=C1)C1C(=O)OC(=O)C21
|
|
| MCULE-2019795890 |
0.60 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-6037100028 |
0.60 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
|
|
| MCULE-6095828735 |
0.60 |
C12C3C4C5C(C1C4C1CC(OC(C)=O)C(=O)C3=1)C1C(=O)C(OC(C)=O)CC=1C25
|
|
| MCULE-6305611152 |
0.60 |
C12C3(C(O)=O)C(C(=O)O)(C4OC3C=C4)C(O1)C=C2
|
|
| MCULE-9489909920 |
0.60 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-4236608409 |
0.60 |
C(O[C@]12C(C)(C)[C@@]1([H])[C@@]1([H])C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C1)[C@H](C)C2)(=O)CCCCCCCCCCC
|
|
| MCULE-9182352754 |
0.60 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-3579684120 |
0.60 |
O1CCOC21CCC1(C)C(C2OC(C)=O)=CCC2C1CCC1(C)C(C(C)CCCC(C)C)CCC12
|
|
| MCULE-5102934183 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](C5COC(=O)C=5)CC[C@]3(C4=O)CC[C@]2([H])C[C@H]1O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1
|
|
| MCULE-8659825806 |
0.60 |
C1C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1
|
|
| MCULE-4823161367 |
0.60 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-3481914833 |
0.60 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
|
|
| MCULE-9929087674 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-2188882812 |
0.60 |
C1C([H])(C)C2([H])C(=O)OC(=O)C2([H])C([H])(C)C=1
|
|
| MCULE-1974362635 |
0.60 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(C2)OC1OC(C)C(C(O)C1O)O)O)C1COC(=O)C=1
|
|
| MCULE-2969710957 |
0.60 |
C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-9005119173 |
0.60 |
C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1
|
|
| MCULE-1935435552 |
0.60 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
|
|
| MCULE-4620731410 |
0.60 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC1C=CC=CC=1)=O)C)=O
|
|
| MCULE-7552770733 |
0.60 |
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-2653956413 |
0.60 |
C1(C)(C(O1)C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=CCC[C@]2(O[C@@]2([H])[C@@]2([H])OC(=O)C(=C)[C@]12[H])C)C(OC)=O
|
|
| MCULE-8543972286 |
0.60 |
C12CC(C(C)C1C(OCCCCCl)=O)C=C2
|
|
| MCULE-7780934103 |
0.60 |
C1C[C@]2(C=O)C3CC[C@@]4([C@@H](CC[C@]4(O)C3CC[C@]2([H])C[C@H]1O[C@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@H](C)O1)C1=CC(=O)OC1)C
|
|
| MCULE-8031207513 |
0.60 |
C12(C)CCC3C(CC=C4CC(OC(C)=O)CCC43C)C1CC=C2C1(C)OCCO1
|
|
| MCULE-5122697862 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2OC(CCC1C=CC=CC=1)=O
|
|
| MCULE-2846082692 |
0.60 |
C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
|
|
| MCULE-3712584936 |
0.60 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
|
|
| MCULE-7356333105 |
0.60 |
C([C@H]1CCC(=O)[C@@H]1CCCCCCC(OC)=O)=C[C@H](CCCCC)O
|
|
| MCULE-6762964573 |
0.60 |
C(CC(C)C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-5482566460 |
0.60 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-5172373620 |
0.60 |
C1(C)(CC2CC1C=C2)C(OCCCCCl)=O
|
|
| MCULE-2507451013 |
0.60 |
[C@@]12(C)CC[C@@]3([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(CC[C@@]3(CC[C@@]21C)C)(C)C)OC(=O)C
|
|
| MCULE-9610038426 |
0.60 |
C1(COC(CCCC)=O)(COC(CCCC)=O)C(C)CC(=CC1C)C
|
|
| MCULE-2707972044 |
0.60 |
C12(O)CC(C(C3COC(=O)C=3)C1(C)CCC1C2CCC2C1(C)CCC(C2)OC(=O)C[N+](C)(C)C)C(=O)C[N+](C)(C)C
|
|
| MCULE-2391054675 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7914276135 |
0.60 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
|
|
| MCULE-8936750032 |
0.60 |
C12CC(C(C(O)=O)C1C(=O)OCC(Cl)=C)C=C2
|
|
| MCULE-5139074320 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-1096386206 |
0.60 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(C)[C@@H](OC(CCC5C=CC=CC=5)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-1891862040 |
0.60 |
C1C(=O)OC2(CCCCC2)C=1OC
|
|
| MCULE-5111011872 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC1C=CC=CC=1)=O)C)=O
|
|
| MCULE-7364929054 |
0.60 |
O1C(=O)C(CC[C@H]2[C@]3(C)CCC[C@@](C)(CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@]3([H])CCC2=C)=CC1
|
|
| MCULE-4819752182 |
0.60 |
O(C[C@]1([C@]2([H])[C@](CCC1)(C)[C@@](CCC1C(=O)OCC=1)([H])C(=C)CC2)C)[C@H]1[C@H](O)[C@H]([C@@H]([C@@H](CO)O1)O)O
|
|
| MCULE-9280847330 |
0.60 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-7694957039 |
0.60 |
O=C1CCC(OCC2CC=CCC2)CC1
|
|
| MCULE-7306805568 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-8952366396 |
0.60 |
C1=CC2CC1(C13CC(C(C(OC)=O)=C1C(OC)=O)C=C3)C(C(OC)=O)=C2C(OC)=O
|
|
| MCULE-9149239842 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-5232883091 |
0.60 |
C12(O)CC[C@@H]([C@@]1(C)CC[C@]1([H])[C@@]2([H])CCC2([C@]1(C=O)CC[C@@H](C2)O[C@H]1C[C@H](OC)[C@@H]([C@@H](C)O1)O)O)C1COC(=O)C=1
|
|
| MCULE-1288235993 |
0.60 |
[C@]12(C=O)CC[C@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C)C[C@@]1(O)CC[C@@]1([H])[C@@]3(O)CC[C@H](C4COC(=O)C=4)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-1505073195 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
|
|
| MCULE-9194849346 |
0.60 |
C1C=CC(C)C2C(=O)OC(=O)C12
|
|
| MCULE-8663661247 |
0.60 |
C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
|
|
| MCULE-2930111579 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)O[C@@H]1O[C@H](C)[C@@H]([C@@H](O)[C@H]1O)O)O)C1COC(=O)C=1
|
|
| MCULE-5379315675 |
0.60 |
C[C@@]12[C@@H](OC(CCC3C=CC=CC=3)=O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-3968820569 |
0.60 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
|
|
| MCULE-2798425702 |
0.60 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C=O)CCC(C2)OC1([H])CC([H])(OC)C(C([H])(C)O1)([H])O)O)C1COC(=O)C=1
|
|
| MCULE-5957131424 |
0.60 |
C1C[C@@]2(C)[C@]([H])(CCC3=CCOC3=O)C(=C)CC[C@]2([H])[C@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
|
|
| MCULE-4071042564 |
0.60 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(COC(=O)C)=C3C[C@@]3([H])[C@](O)(COC(=O)/C(/C)=C/C)[C@H]5C[C@H]5[C@]3(C)[C@]4([H])CC3=C2[C@](C)([C@@H]2C[C@@H]23)[C@@H](O)C\1=O
|
|
| MCULE-4145126779 |
0.60 |
C1=C(C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]2(O[C@@H]2C)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-9841786738 |
0.60 |
[C@@]12([H])C=C(C)[C@H](OC(/C=C/C=C/CCC)=O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]1(OC(C)=O)C[C@@H](C)[C@@H]2O
|
|
| MCULE-9705843453 |
0.60 |
C12(C)OC(=O)C3(C(OC(C3(C1=C)C1(C(C2)C2(C)C=CC(=O)C(C)(C)C2CC1)C)=O)C)O
|
|
| MCULE-6383734347 |
0.60 |
C12(CCC(C([H])(CC(C)O)O1)C)OC1([H])CCC(CC)C=CC=CCC(C)C(O)C(C)C(C(C)C(O)C(C)C(=O)C(C)C(O)C(C)C=CC(=O)OC(C1C)([H])C2C)=O
|
|
| MCULE-8746775494 |
0.60 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-5841477456 |
0.60 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(C=NO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-8190432260 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=NO)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2320096475 |
0.60 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-3257279479 |
0.60 |
C12(O)CCC(C1(C)CCC1C2CCC2([C@]1(C=NO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4940046247 |
0.60 |
C1(C(OC)=O)CC2CC3=C(CC=2CC=1C(OC)=O)CC(C(OC)=O)=C(C(OC)=O)C3
|
|
| MCULE-4090607765 |
0.60 |
C1=C(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1O
|
|
| MCULE-9592035402 |
0.60 |
OC1C(O)C=C(CC1O)C(OC)=O
|
|
| MCULE-5590913017 |
0.60 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-6773378809 |
0.60 |
C1=CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-4320007788 |
0.60 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-1945667981 |
0.60 |
C12[C@@](C)(CC[C@@]([H])([C@H](C)C(OC)=O)C1=O)C=CC(=O)C=2C
|
|
| MCULE-9909269217 |
0.60 |
C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
|
|
| MCULE-4665107833 |
0.60 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1(O)C3CCC(C(C)CCC(C)C(C)C)C3(C)CC=C21
|
|
| MCULE-1655274985 |
0.60 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
|
|
| MCULE-3979294448 |
0.60 |
[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-4167735225 |
0.60 |
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-5396685230 |
0.60 |
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-4797309594 |
0.60 |
[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-1963273832 |
0.60 |
[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-6422814550 |
0.60 |
CC(C(C)=CC(OCCCC(N)=O)=O)C
|
|
| MCULE-4964860916 |
0.60 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
|
|
| MCULE-5643440248 |
0.60 |
[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-9660893096 |
0.60 |
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-1821855723 |
0.60 |
C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
|
|
| MCULE-8466128773 |
0.60 |
[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-3121556913 |
0.60 |
[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-2503470402 |
0.60 |
C1C[C@]2([H])C[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-4479203479 |
0.60 |
[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-6132152847 |
0.60 |
[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-2797527002 |
0.60 |
C1(C(=O)O)=CCC(CCCCCC)CC1
|
|
| MCULE-9150714373 |
0.60 |
C1(C(C)(C)CCCC=1C)C(O)=O
|
|
| MCULE-3750924928 |
0.60 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
|
|
| MCULE-1116373843 |
0.60 |
CCOC(C=C[C@@]1(CC[C@@](C)(CC1)[H])[H])=O
|
|
| MCULE-5687333040 |
0.60 |
C(=CC1CCCCC1)C(OCC)=O
|
|
| MCULE-1661513561 |
0.60 |
CC1CC(=CC(OC(C)(C)C)=O)CCC1
|
|
| MCULE-3903546287 |
0.60 |
CC1C(=CC(OC(C)(C)C)=O)CCCC1
|
|
| MCULE-9857200349 |
0.60 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O
|
|
| MCULE-6500424227 |
0.60 |
CCOC(/C=C/[C@@H]1CC[C@@H](C)CC1)=O
|
|
| MCULE-8814095575 |
0.60 |
[C@]12(C)CCC(C=C1C[C@@H](SC(C)=O)C1C2CC[C@]2(C1CC[C@]12CCC(=O)O1)C)OC(C)=O
|
|
| MCULE-4735370391 |
0.60 |
C12(C)CCC(C=C1CC(SC(C)=O)C1C2CCC2(C1CCC12CCC(=O)O1)C)OC(C)=O
|
|
| MCULE-2067479702 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(=O)NC(C)C(O)=O)=O)C)=O
|
|
| MCULE-3358949662 |
0.60 |
O(C(=O)C)C(C)(C)/C=C/C(=O)[C@@](O)(C)[C@@]1([H])[C@H](O)C[C@]2(C)[C@]1(C)CC(=O)[C@@]1(C)[C@]3([H])C=C(O)C(=O)C(C)(C)C3=CC[C@]12[H]
|
|
| MCULE-8665737297 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(=O)NCC(C)(C)C(O)C(O)=O)=O)C)=O
|
|
| MCULE-5225501402 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(=O)NCC(O)=O)=O)C)=O
|
|
| MCULE-3556278569 |
0.60 |
O1C2(CCC(C(OCC)=O)=C(C)C2)OCC1
|
|
| MCULE-3044005298 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(=O)CC[NH+]1CCCCC1)C)=O
|
|
| MCULE-1544960646 |
0.60 |
[C@@]1(O)(OC(C)=O)C(Br)CC2C3C(CC[C@]12C)[C@@]1(C)CCC(C=C1CC3)=O
|
|
| MCULE-2062809477 |
0.60 |
[C@@H]1(C)CC[C@@H](O)C=CC(=O)O[C@H](C)[C@@H](O)C=CC(=O)O1
|
|
| MCULE-2588682863 |
0.60 |
C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
|
|
