| MolPort-009-018-923 |
0.79 |
CCCCCC1OC1\C=C\C=O
|
|
| MCULE-4714068349 |
0.78 |
CCCC1C(=CC(C)=O)COC1
|
|
| MCULE-9530340790 |
0.78 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C
|
|
| MolPort-002-800-183 |
0.78 |
CCOC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-046-765-314 |
0.77 |
CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1
|
|
| MCULE-8897168578 |
0.77 |
CC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-1305866944 |
0.77 |
O1C2C(C3CCCC=3C1=O)CCCC2
|
|
| MolPort-004-964-842 |
0.76 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-046-158-543 |
0.76 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MCULE-6440147345 |
0.76 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-9801536119 |
0.76 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MCULE-2442515222 |
0.76 |
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-3082170792 |
0.76 |
C1C(=O)C(C)(O)C(O)C(O)C=1C1OC1C(O)(C)C
|
|
| MolPort-039-338-433 |
0.76 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=CCOC1=O
|
|
| MolPort-046-697-153 |
0.76 |
CC(C)(O)C1OC1C1=CC(=O)C(C)(O)C(O)C1O
|
|
| MolPort-006-113-476 |
0.75 |
CCOC(=O)C1=CCCCC1
|
|
| MolPort-046-697-385 |
0.75 |
CC(C)(O)C1OC1C1=CC(=O)C(C)(O)CC1O
|
|
| MCULE-9147984208 |
0.75 |
C1(C(O)CC(O)(C)C(C=1)=O)C1OC1C(O)(C)C
|
|
| MCULE-4783463603 |
0.75 |
OC(C(C=CC1OCCCC1)=O)=O
|
|
| MolPort-046-693-328 |
0.75 |
CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-029-943-072 |
0.74 |
C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
|
|
| MCULE-8771172896 |
0.74 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-4985709972 |
0.74 |
C12C(CC=C(C(OC)=O)C1)O2
|
|
| MolPort-046-762-519 |
0.73 |
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
|
|
| MCULE-7212452003 |
0.73 |
C1C(C)C2=C(C(OCC)=O)C(=O)CC2([H])C1
|
|
| MCULE-7117172040 |
0.73 |
C1CCCCCCCCC(C(OC)=O)=C1
|
|
| MCULE-3580664146 |
0.73 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MolPort-046-697-189 |
0.73 |
CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-004-963-698 |
0.72 |
CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
|
|
| MolPort-039-338-801 |
0.72 |
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
|
|
| MCULE-6839503974 |
0.72 |
CC(C1OCC(=CC(C)=O)C1)C
|
|
| MCULE-5996622957 |
0.72 |
CCC1OCC(=CC(C)=O)C1
|
|
| MCULE-7326161622 |
0.72 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
|
|
| MCULE-6266062726 |
0.72 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O
|
|
| MCULE-6317272202 |
0.72 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-2440450538 |
0.72 |
CC(C1C(=CC(C)=O)COC1)C
|
|
| MCULE-1470825909 |
0.72 |
CCC1C(=CC(C)=O)COC1
|
|
| MCULE-9952768892 |
0.72 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| MCULE-6391439575 |
0.72 |
CCCC1C(=C(C(O)=O)C)COC1
|
|
| MCULE-9375609224 |
0.72 |
CCCC1C(=CC(O)=O)COC1
|
|
| MolPort-046-673-020 |
0.72 |
COC(=O)C1=CC2CCC3C(CCC12)C=C3C(=O)OC
|
|
| MolPort-028-948-872 |
0.72 |
COC(=O)C1=CCCCCC1
|
|
| MolPort-001-742-676 |
0.72 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| MolPort-046-697-187 |
0.71 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MCULE-1410893528 |
0.71 |
COC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-5590913017 |
0.71 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-7375457275 |
0.71 |
CC(C(O)=O)=C1CC(C2CC2)OC1
|
|
| MCULE-2565102940 |
0.71 |
OC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-4827454681 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
|
|
| MCULE-1216188840 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MCULE-6797419887 |
0.71 |
C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
|
|
| MCULE-9817372120 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
|
|
| MCULE-1631535635 |
0.71 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MolPort-028-602-674 |
0.71 |
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-003-959-064 |
0.71 |
C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12)C=C(C)C
|
|
| MolPort-046-673-798 |
0.71 |
COC(=O)C1=CC2CC\C=C/CCC12
|
|
| MolPort-039-242-431 |
0.71 |
CCOC(=O)C1=C(C)CCC1
|
|
| MolPort-046-700-328 |
0.71 |
COC(=O)C1=CCCC(O)C1
|
|
| MolPort-023-221-547 |
0.71 |
CC12CCCC=C1C(=O)OC2=O
|
|
| MolPort-046-676-753 |
0.71 |
O=C1OC(=O)C2=CCCCC12
|
|
| MolPort-001-740-398 |
0.70 |
CC1[C@@H]2CC\C(=C\CC\C(C)=C\[C@H]2OC1=O)C(O)=O
|
|
| MolPort-002-911-074 |
0.70 |
CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
|
|
| MolPort-006-391-771 |
0.70 |
COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
|
|
| MolPort-029-937-862 |
0.70 |
CC(CC#N)OC(=O)C1=CCCCCC1
|
|
| MolPort-035-705-926 |
0.70 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12
|
|
| MolPort-046-685-782 |
0.70 |
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-005-944-321 |
0.70 |
CC1=CC2OC3CC(O)[C@@](C)(C33CO3)[C@@]2(C)C(O)C1=O
|
|
| MolPort-039-145-171 |
0.70 |
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-044-561-106 |
0.70 |
CC1=C[C@H]2O[C@@H]3[C@H](O)CC(C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-039-336-980 |
0.70 |
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-003-925-048 |
0.70 |
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 |
0.70 |
CC1=CC2OC3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-046-767-512 |
0.70 |
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-001-739-739 |
0.70 |
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-039-141-792 |
0.70 |
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-035-705-809 |
0.70 |
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C
|
|
| MCULE-9414880096 |
0.70 |
C1(CC2C=CC(O2)C1)=CC(OC)=O
|
|
| MCULE-2229254312 |
0.70 |
CC1C(C)C(=CC(C)=O)CO1
|
|
| MCULE-8163822030 |
0.70 |
CC(OC(C1CCCCCC=1)=O)CC#N
|
|
| MCULE-4824360118 |
0.70 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MCULE-6691336657 |
0.70 |
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 |
0.70 |
C12(C3[C@H](O)C[C@]1(C)[C@@]1(CO)[C@H](O)C(=O)C(=CC1O3)C)OC2
|
|
| MCULE-5992308149 |
0.70 |
[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-8766216455 |
0.70 |
C12(C3CC(O)[C@]1(C)[C@@]1(C)C(O)C(=O)C(=CC1O3)C)OC2
|
|
| MCULE-1414318418 |
0.70 |
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-1022445986 |
0.70 |
C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C
|
|
| MCULE-4274335769 |
0.70 |
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-8615958761 |
0.70 |
C1C[C@]2(C)C3C(=O)C[C@]4(C)[C@@H]([C@@H](CCC(=O)OC)C)C[C@H](O)[C@@]4(C)C=3[C@@H](O)C[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-1524945873 |
0.70 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
|
|
| MCULE-8051121697 |
0.70 |
C1(=CC(=O)OCC2C3CCC(C3(C)C)(C)C2=O)C2CCC(C2(C)C)(C)C1=O
|
|
| MCULE-3121318461 |
0.70 |
C1CC2(O)C(=O)C(C)=C(C)C2(C(C)=O)OC1(C)CCCC(C)CCCC(C)CCCC(C)C
|
|
| MCULE-6089943254 |
0.70 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
|
|
| MCULE-8279266745 |
0.70 |
[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-2616323149 |
0.70 |
O=C(CCCC/C=C1/C(CCCCCCCCCCCCC)OC/1=O)N
|
|
| MCULE-9035965650 |
0.70 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-7838361683 |
0.70 |
[C@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-1286702458 |
0.70 |
[C@@H]1(CCCCC)CC=CC(=O)O1
|
|
| MolPort-046-762-949 |
0.70 |
CC(=O)[C@H]1C[C@]2(C)C3(CO3)[C@@H]1O[C@H]1C=C(C)C(=O)[C@H](O)[C@@]21CO
|
|
| MolPort-005-945-955 |
0.70 |
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2(O)C(=O)C(C)=C(C)C2(O1)C(C)=O
|
|
| MolPort-039-338-228 |
0.70 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-044-723-304 |
0.70 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-038-386-730 |
0.70 |
C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-002-893-781 |
0.70 |
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-044-561-427 |
0.70 |
CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
|
|
| MolPort-046-790-373 |
0.70 |
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-019-931-713 |
0.69 |
CC(C)(O)C1OC1C1=CC(=O)C2(C)OC2C1O
|
|
| MolPort-020-006-022 |
0.69 |
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-002-800-191 |
0.69 |
CC(=O)OC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-046-687-428 |
0.69 |
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-046-153-794 |
0.69 |
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-003-922-624 |
0.69 |
CCOC(=O)C1=CCCC1
|
|
| MolPort-002-799-650 |
0.69 |
CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@]12C
|
|
| MolPort-029-943-123 |
0.69 |
CC(CCCCCC1OC(=O)C=C1)C(C)=O
|
|
| MolPort-046-420-032 |
0.69 |
O=C1CCC2COCCC2=C1
|
|
| MolPort-001-740-438 |
0.69 |
C\C1=C/CCC2=CC(C\C(C)=C\C3OC(=O)C(=C)C3CC1)OC2=O
|
|
| MCULE-8124059910 |
0.69 |
C1(C(O)C2OC2(C)C(C=1)=O)C1OC1C(O)(C)C
|
|
| MCULE-6359752884 |
0.69 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C
|
|
| MCULE-2284846333 |
0.69 |
[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-2876588696 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-5318681089 |
0.69 |
CC1OCC(=CC(C)=O)CC1
|
|
| MCULE-9883764892 |
0.69 |
C1(=CCCC1)C(=O)OCC
|
|
| MCULE-1414577822 |
0.69 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
|
|
| MCULE-7541323970 |
0.69 |
C1C(=O)OC(CCCCCC(C(=O)C)C)C=1
|
|
| MCULE-2991933231 |
0.69 |
[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
|
|
| MCULE-9618013702 |
0.69 |
O=C1C=C2C(COCC2)CC1
|
|
| MCULE-9592035402 |
0.69 |
OC1C(O)C=C(CC1O)C(OC)=O
|
|
| MCULE-6464473304 |
0.69 |
O=C1C(C(=CCCCCC1)C(OC)=O)C(OC)=O
|
|
| MCULE-4090607765 |
0.69 |
C1=C(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1O
|
|
| MCULE-5558502153 |
0.69 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-8302542414 |
0.69 |
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-6482288037 |
0.69 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C
|
|
| MCULE-3320650867 |
0.69 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-5014476622 |
0.69 |
[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-3153400458 |
0.69 |
C1CC(C(=O)OC)=CCC1
|
|
| MCULE-3726837580 |
0.69 |
C1CCC(C(OC)=O)=C(C(OC)=O)CC1
|
|
| MCULE-8324389304 |
0.69 |
C1(CC2C=CC(O2)C1)=CC(O)=O
|
|
| MolPort-001-739-965 |
0.69 |
COC(=O)C1=CC(O)C(O)C(O)C1
|
|
| MolPort-001-742-311 |
0.69 |
C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
|
|
| MolPort-002-526-910 |
0.69 |
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-002-502-008 |
0.69 |
COC(=O)C1=CCCCC1
|
|
| MolPort-004-780-965 |
0.69 |
C=CCOC(=O)C1=CCCC1
|
|
| MolPort-009-019-637 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-027-640-876 |
0.69 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-005-945-283 |
0.69 |
CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-046-671-926 |
0.69 |
CCOC(=O)C1=CCC(CN)CC1
|
|
| MolPort-046-697-310 |
0.69 |
CCCCCC(O)C1CC=CC(CCCCCCC(O)=O)O1
|
|
| MolPort-029-924-742 |
0.69 |
CC(C)(COC(=O)C1=CCCCC1)C#N
|
|
| MolPort-046-657-168 |
0.69 |
CC(C)(C)OC(=O)C1=CCC(CN)CC1
|
|
| MolPort-002-799-481 |
0.68 |
CC1(C)CCC[C@]2(C)C=C(C3OCCO3)C(=O)C[C@@H]12
|
|
| MolPort-039-338-710 |
0.68 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)=C
|
|
| MolPort-046-153-148 |
0.68 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-029-937-842 |
0.68 |
O=C(OCC1CCOC1)C1=CCCCCC1
|
|
| MolPort-002-509-880 |
0.68 |
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-000-719-373 |
0.68 |
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-001-741-109 |
0.68 |
CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
|
|
| MolPort-046-510-442 |
0.68 |
O=C1OC(=O)C2=C1CCCCCC2
|
|
| MolPort-039-141-888 |
0.68 |
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-021-804-698 |
0.68 |
C\C=C(\C)C(=O)OCC(CCO)CCC1(C)C(C)CCC2(CO)C1CCC=C2COC(=O)CCC(O)=O
|
|
| MolPort-029-924-743 |
0.68 |
COC(=O)C[C@@H](C)OC(=O)C1=CCCCC1
|
|
| MCULE-1868424196 |
0.68 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MCULE-5189438807 |
0.68 |
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-4659340446 |
0.68 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-1838518608 |
0.68 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C
|
|
| MCULE-9707855350 |
0.68 |
[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-4099453023 |
0.68 |
C1(C(OCC)=O)C(=O)CC(C(OCC)=O)C=1C
|
|
| MCULE-5752112400 |
0.68 |
COC(C=CC1OCCCC1)=O
|
|
| MCULE-5454204287 |
0.68 |
C1C[C@@]2(C)[C@@]([C@H](O)CC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-7484851551 |
0.68 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
|
|
| MCULE-8879489618 |
0.68 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1
|
|
| MCULE-8496994310 |
0.68 |
COC(C[C@H](OC(C1CCCCC=1)=O)C)=O
|
|
| MCULE-2724365529 |
0.68 |
[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 |
0.68 |
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-3556278569 |
0.68 |
O1C2(CCC(C(OCC)=O)=C(C)C2)OCC1
|
|
| MCULE-8302905584 |
0.68 |
C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3
|
|
| MCULE-2593667564 |
0.68 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-1831576109 |
0.68 |
C1[C@@]2(C)C(C3(CO3)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
|
|
| MCULE-2738564503 |
0.68 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
|
|
| MCULE-4569544045 |
0.68 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-8148008657 |
0.68 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C)=CC2=O)C1)C
|
|
| MCULE-9977303983 |
0.68 |
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-7082050674 |
0.68 |
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-8321853166 |
0.68 |
C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
|
|
| MCULE-2094560228 |
0.68 |
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-9544471726 |
0.68 |
C1(CCC(CC=1C)=O)C(OCC)=O
|
|
| MCULE-1728259151 |
0.68 |
C1=CC(OC(C(O)CCCCC)C1)CCCCCCC(=O)O
|
|
| MCULE-5994274398 |
0.68 |
CC(C#N)(COC(C1CCCCC=1)=O)C
|
|
| MCULE-7501478721 |
0.68 |
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-6697936504 |
0.68 |
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-1536474229 |
0.68 |
O=C(C1CCCCCC=1)OCC1COCC1
|
|
| MolPort-044-724-399 |
0.68 |
CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O
|
|
| MolPort-039-052-656 |
0.68 |
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CC[C@@H]12
|
|
| MolPort-039-052-399 |
0.68 |
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-046-647-045 |
0.68 |
COC(=O)\C=C\[C@@H]1CCC[C@H]2O[C@@H]12
|
|
| MolPort-002-800-312 |
0.68 |
COC(=O)C1=C(C2CCC1CC2)C(=O)OC
|
|
| MolPort-046-147-268 |
0.68 |
CCOC(=O)C1=C(CCC1)C(=O)OCC
|
|
| MolPort-006-668-331 |
0.68 |
CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-005-945-281 |
0.68 |
CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-005-945-288 |
0.68 |
CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
|
|
| MolPort-007-549-139 |
0.68 |
CC12CC[C@H]3[C@@H](CCC(=O)CC(O)CCC3=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-028-750-137 |
0.68 |
C[C@]12CC[C@H]3[C@@H](CC4(CO4)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-039-338-711 |
0.68 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)(C)O
|
|
| MolPort-046-792-816 |
0.68 |
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-046-697-190 |
0.68 |
CC1CC(O)C2=C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-005-944-045 |
0.67 |
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-046-509-030 |
0.67 |
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-044-561-262 |
0.67 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
|
|
| MolPort-002-139-889 |
0.67 |
CCOC(C\C(C)=C/C(O)=O)\C=C(/C)CCC=C(C)C
|
|
| MolPort-035-918-675 |
0.67 |
O=C1OC(=O)C2=C1CCCCC2
|
|
| MolPort-027-935-414 |
0.67 |
CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-001-740-957 |
0.67 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
|
|
| MolPort-021-804-785 |
0.67 |
CC1CC\C=C(C)\CC2OC(=O)C(C)=C2CC1=O
|
|
| MCULE-6250100613 |
0.67 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-2152785861 |
0.67 |
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-9798073540 |
0.67 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-7150467746 |
0.67 |
O=C(C1CCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-9144820188 |
0.67 |
C(=C(C)CC(OCC)C=C(C)CCC=C(C)C)C(O)=O
|
|
| MCULE-1014190195 |
0.67 |
C1(OCC(=C1C)CCCCC(=O)O)=O
|
|
| MCULE-3998827933 |
0.67 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-9616259526 |
0.67 |
C12CCCCCC=1C(=O)OC2=O
|
|
| MCULE-8810317888 |
0.67 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1
|
|
| MCULE-3752800864 |
0.67 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-3732438270 |
0.67 |
C(O)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-7503740182 |
0.67 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-6799888455 |
0.67 |
C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-2185361459 |
0.67 |
O1C(C=C2[C@@]1(C)CCCC2(C)C)=O
|
|
| MCULE-4858829873 |
0.67 |
CC1(C)C2=CC(O[C@]2(C)CCC1)=O
|
|
| MCULE-5979426935 |
0.67 |
C12C(C)(C)CCCC1(C)OC(=O)C=2
|
|
| MCULE-4135658146 |
0.67 |
COC(C=C1CC(C(C)C)OC1)=O
|
|
| MCULE-7151815147 |
0.67 |
C1(C(CCCCCCCCCCC)=O)=C(O)C[C@@]([H])(CCC)OC1=O
|
|
| MCULE-1066490491 |
0.67 |
C1(=C(C)C(OC1=O)(C)C)C(C)(O)C(C)(O)C1=C(C)C(OC1=O)(C)C
|
|
| MCULE-5685250499 |
0.67 |
C1(C(CCCCCCCCCCCCC)=O)=C(O)C[C@@]([H])(CCC)OC1=O
|
|
| MCULE-5922767585 |
0.67 |
C1(=O)C(O)(C)C(C(=O)OC)(O)C2C3C(C)C(O)C(C)C(CCC(C)C=C(C)CC(C)CC(C)C(=O)C=2C1O)O3
|
|
| MCULE-8955872900 |
0.67 |
CCC1OCC(=CC(OC)=O)C1
|
|
| MCULE-5563929213 |
0.67 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O
|
|
| MCULE-5214550861 |
0.67 |
C12C(C)(C)CCC[C@]1(C)OC(=O)C=2
|
|
| MCULE-9379833788 |
0.67 |
O=C1CCCC(C(=O)OC)=C1
|
|
| MCULE-2084098314 |
0.67 |
O=C(/C=C/CCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](C[C@H](CCCC)C)O)O
|
|
| MCULE-2562455528 |
0.67 |
C1(O)CC2C(C)(CCC3=CC(=O)OC3O)C(C)CCC32COC(=O)C3=C1
|
|
| MCULE-2566917767 |
0.67 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MolPort-046-697-422 |
0.67 |
COC(=O)C1(O)C2=C(C(O)C(=O)C1(C)O)C(=O)C(C)CC(C)C\C(C)=C\C(C)CCC1OC2C(C)C(O)C1C
|
|
| MolPort-002-841-867 |
0.67 |
CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)(C)C
|
|
| MolPort-001-739-246 |
0.67 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
|
|
| MolPort-019-992-901 |
0.67 |
C[C@@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-046-761-503 |
0.67 |
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-028-748-704 |
0.67 |
COC(=O)C1=CC(=O)CCC1
|
|
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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
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CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1O
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CC1(C)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
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[2H]C([2H])([2H])[C@@H](CCCC)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
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C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
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COC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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CC1=C(C(=O)OC1(C)C)C(C)(O)C(C)(O)C1=C(C)C(C)(C)OC1=O
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CC1=C(C(O)=O)C(C)(C)C[C@H](O)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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CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
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CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
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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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CC\C=C/CC1C(=O)C=CC1(CCCCC1CCC(=O)O1)OC(C)=O
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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
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CCOC(=O)C1=CC2CCC1O2
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CC1CCC2C(=CC3C(O)C(C)(C)CC123)C(O)=O
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COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
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COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
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C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
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O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O
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CCOC(C1=CC2CCC1C=C2)=O
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C(OC)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
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C1(O)(CC2C=CC(O2)C1)CC(O)=O
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C1(O)(CC2C=CC(O2)C1)C(C)C(O)=O
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CC(C1OCC(=C(C(O)=O)C)C1)C
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CCC1OCC(=C(C(O)=O)C)C1
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CC(C1OCC(=CC(O)=O)C1)C
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COC(C=C1C(C(C)C)COC1)=O
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CCC1C(=CC(OC)=O)COC1
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CC(C=C1CC(C2CC2)OC1)O
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CCC1OCC(=CC(O)=O)C1
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C1C[C@@]2(C)C(CC[C@@H]2O)=C(C1=O)C(O)=O
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C12C(O)C(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
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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
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C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2
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C1=C(C)C2OC1C(O)(CC(C)CC(=O)O)C2O
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[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
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[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
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C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
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COC(COC(C1CCCCCC=1)=O)=O
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O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
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C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
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0.66 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
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[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
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C1(CC2CCC(O2)C1)=CC(OC)=O
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C1[C@@]2(CC[C@@H]3C(C)(C)[C@@H]3C=C(C)C([C@]3(O)[C@@]([C@@H](O)[C@@H](C)C3)([H])[C@@H]2O)=O)O1
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0.66 |
[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)[C@@]1(OC1)CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
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C12C3C4C5C1C(C(OC)=O)=C(C(OC)=O)C5C2C4CC3
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CC(CC1OCCC1)=C(C(O)=O)C
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CCC1C(=C(C(O)=O)C)COC1
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CC(C1C(=CC(O)=O)COC1)C
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C1(C(C)(C)CCCC=1C)C(OCC)CC(C)=CCO
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C1CC2(C(O)(CO)C(=CC(=O)C2C(C1O)(C)C)C)C
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CC(C1C(=C(C(O)=O)C)COC1)C
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CCC1C(=CC(O)=O)COC1
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CC1OCC(=CC(C)=O)C1
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C12OC1CC(C(=O)OCC)=CC2OC(CC)CC
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O1[C@@H]2[C@H]1[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
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CC1(CO)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
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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
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CC(CC(O)=O)CC1(O)C(O)C2OC1C=C2C
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COC(=O)COC(=O)C1=CCCCCC1
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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
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C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
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CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1CCCCCCC(O)=O
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C[C@]1(CC[C@]2(C)[C@@H](C1)CCC(C)(C)[C@H]1OC(=O)C=C21)C=C
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CCOC(C\C(C)=C\CO)C1=C(C)CCCC1(C)C
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CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO
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CCC\C(=C/CC)C(=O)OCC
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CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
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CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
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CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
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CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
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C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
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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
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OCC1=CC(=O)[C@@H]2O[C@@H]2C1=O
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C[C@H]1CCCC2C(O)C3OC(=O)C(C)=C3C[C@]12C
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CC12CCC3C(CCC4(O)CC(O)CCC34C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
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CC12CCC3C(CCC(C)(O)C3(C)C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
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CC12CC(CC1(O)C[C@@H]1CCC3(O)C[C@H](O)CCC3(C=O)[C@H]1C2)C1=CC(=O)OC1
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CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
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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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CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
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CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C(O)=O)C1(O)CCC2C1=CC(=O)OC1
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CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCC(CC(O)=O)OC
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COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
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CC12CCCC(C)(C1CCC(=C)C2CCC1=CCOC1=O)C(O)=O
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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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0.65 |
C1CCC2(CC1)OC1CCCCC1=C1CCCCC21.C1CCC2(CC1)OC1CCCCC1C1=CCCCC21
|
|
| MolPort-039-052-550 |
0.65 |
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-005-944-967 |
0.65 |
C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-027-640-870 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC
|
|
| MolPort-044-561-115 |
0.65 |
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
|
|
| MolPort-044-637-547 |
0.65 |
COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
|
|
| MolPort-002-559-417 |
0.65 |
CCCCOC(C(C)C)C1=CCCCC1
|
|
| MolPort-021-804-669 |
0.65 |
CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1C2(C)C
|
|
| MolPort-021-804-477 |
0.65 |
CCCCCCCCCCCC(=O)OC12CC(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C1C2(C)C
|
|
| 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-1499638877 |
0.65 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| 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-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-4547933367 |
0.65 |
C1CC2C(O)C3OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-4615892478 |
0.65 |
[C@H]12O[C@H]1C(=O)C=C(CO)C2=O
|
|
| MCULE-6747628390 |
0.65 |
[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-6660850303 |
0.65 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7571794100 |
0.65 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2
|
|
| MCULE-4630794584 |
0.65 |
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-2962714006 |
0.65 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(O)=O
|
|
| MCULE-2147966582 |
0.65 |
[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-4895972010 |
0.65 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7068002290 |
0.65 |
C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O
|
|
| MCULE-6921575032 |
0.65 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O
|
|
| MCULE-9464302631 |
0.65 |
C12C(O)[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-7252099279 |
0.65 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C
|
|
| MCULE-8091940383 |
0.65 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-2357370492 |
0.65 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-5929092480 |
0.65 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O
|
|
| MCULE-3965188829 |
0.65 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C
|
|
| MCULE-1310747899 |
0.65 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1
|
|
| MCULE-3178410726 |
0.65 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1
|
|
| MCULE-3872989644 |
0.65 |
C1(CCCCC=1)C(OCCCC)C(C)C
|
|
| MCULE-3861744236 |
0.65 |
C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O
|
|
| MCULE-5303288459 |
0.65 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| MCULE-9878715932 |
0.65 |
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-1550088986 |
0.65 |
CC(C(N)=O)OC(C1CCCCCC=1)=O
|
|
| MCULE-9050797198 |
0.65 |
C12C(O)CC3C=CC(C=C1C(OC)=O)C32
|
|
| MCULE-9301632354 |
0.65 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-2058016705 |
0.65 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-4994703608 |
0.65 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
|
|
| MCULE-7772391429 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-2276317128 |
0.65 |
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-8611232708 |
0.65 |
C12C3C4C(C5C1C(C(O)=O)=C(C(OC)=O)C35)C2C=C4
|
|
| MCULE-7927686982 |
0.65 |
C12C3C4C(C5C1C(C(OC)=O)=C(C(OC)=O)C35)C2C=C4
|
|
| MCULE-3654721932 |
0.65 |
C12C3C4C5C1C(C1C5C(C4CC3=CC(OCC)=O)CC1=CC(=O)OCC)C1OC21
|
|
| MCULE-9383833777 |
0.65 |
C1(O)CC2(C(O)(CO)C(=CC(C2C(C)(C1)C)=O)C)C
|
|
| MCULE-6153303052 |
0.65 |
COC(C=C1C(C)C(C)OC1)=O
|
|
| MCULE-8650423250 |
0.65 |
CC1OCCC(=CC(OC(C)(C)C)=O)C1
|
|
| MCULE-8917149750 |
0.65 |
CC1(C2(OC(C)CC2)C(C)=CCC1)C
|
|
| MCULE-7118099436 |
0.65 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C=O
|
|
| MCULE-9485946749 |
0.65 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-1278081687 |
0.65 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O
|
|
| MCULE-2014190393 |
0.65 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C(O)=O
|
|
| MolPort-029-923-704 |
0.65 |
CC(OC(=O)C1=CCCCCC1)C(N)=O
|
|
| MolPort-005-944-980 |
0.65 |
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
|
|
| MolPort-046-701-494 |
0.65 |
CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-016-633-200 |
0.65 |
CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-009-758-696 |
0.65 |
C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-524-221 |
0.65 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-044-561-229 |
0.65 |
C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-038-386-495 |
0.65 |
CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
|
|
| MolPort-002-525-199 |
0.65 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MolPort-046-511-001 |
0.65 |
COC(=O)C1=CCC2(CCC2)OC1
|
|
| MolPort-001-739-243 |
0.65 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO
|
|
| MolPort-009-194-219 |
0.65 |
O.O.[Ca++].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O.C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-046-760-618 |
0.65 |
[Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-003-939-581 |
0.65 |
CC1CCC2(O1)C(C)=CCCC2(C)C
|
|
| MolPort-046-690-262 |
0.65 |
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-046-762-702 |
0.65 |
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-001-739-897 |
0.65 |
CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
|
|
| MolPort-039-240-193 |
0.65 |
CCOC(=O)C1=C(N)CCCCCC1
|
|
| MolPort-046-589-000 |
0.65 |
CCOC(=O)C1=C(N)/CCCCCC\1
|
|
| MolPort-021-804-540 |
0.65 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-027-853-724 |
0.65 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
|
|
| MolPort-023-276-585 |
0.64 |
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
|
|
| MolPort-009-757-723 |
0.64 |
[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 |
0.64 |
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-006-822-486 |
0.64 |
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
|
|
| MolPort-001-742-261 |
0.64 |
C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)C1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-046-690-071 |
0.64 |
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-005-945-282 |
0.64 |
CC(=O)OC\C(CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-035-706-205 |
0.64 |
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-046-762-479 |
0.64 |
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-002-501-600 |
0.64 |
O=C1OC(=O)C2=C1CCCC2
|
|
| MolPort-002-526-864 |
0.64 |
CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-828-137 |
0.64 |
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-000-720-153 |
0.64 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-000-736-396 |
0.64 |
C1CCC2(C1)OC1CCCCC1C1=CCCCC21.C1CCC2(C1)OC1CCCCC1=C1CCCCC21
|
|
| MolPort-020-005-706 |
0.64 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-003-846-186 |
0.64 |
O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O
|
|
| MolPort-046-702-138 |
0.64 |
CC1(CO)C(O)CCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-046-153-765 |
0.64 |
CC(CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-002-509-553 |
0.64 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-596-327 |
0.64 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-506-983 |
0.64 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-001-742-639 |
0.64 |
C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-042-644-562 |
0.64 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-005-944-535 |
0.64 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-005-944-539 |
0.64 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-046-426-155 |
0.64 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)C11CO1
|
|
| MolPort-019-939-202 |
0.64 |
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1
|
|
| MolPort-039-336-702 |
0.64 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
|
|
| MolPort-046-702-694 |
0.64 |
CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1
|
|
| MolPort-038-386-640 |
0.64 |
CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
|
|
| MolPort-003-959-446 |
0.64 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-029-999-415 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MolPort-038-386-565 |
0.64 |
CCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC1CC=CC(=O)O1
|
|
| MolPort-044-723-187 |
0.64 |
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-046-590-297 |
0.64 |
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 |
0.64 |
CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1
|
|
| MolPort-002-509-690 |
0.64 |
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-001-739-555 |
0.64 |
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 |
0.64 |
C[C@H]1CCC\C=C/[C@@H]2C[C@H](O)C[C@@H]2C(O)\C=C\C(=O)O1
|
|
| MolPort-046-701-388 |
0.64 |
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1
|
|
| MolPort-039-338-173 |
0.64 |
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-001-740-719 |
0.64 |
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-005-945-460 |
0.64 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-003-845-305 |
0.64 |
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-044-723-188 |
0.64 |
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-004-955-162 |
0.64 |
C[C@H]1CCC\C=C\C2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MCULE-5595198949 |
0.64 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(OC)=O
|
|
| MCULE-4827912965 |
0.64 |
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-2686998361 |
0.64 |
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-7810213600 |
0.64 |
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-9966949324 |
0.64 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-5917433710 |
0.64 |
O=C(C1OCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-1158671172 |
0.64 |
O1C(=O)C2=C(CCCC2)C1=O
|
|
| MCULE-3655751389 |
0.64 |
[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-9034458089 |
0.64 |
C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12
|
|
| MCULE-4825273969 |
0.64 |
[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-7613417621 |
0.64 |
O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1
|
|
| MCULE-9709244279 |
0.64 |
C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-3090499793 |
0.64 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-7409296969 |
0.64 |
[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-9254356497 |
0.64 |
C12(C)C3C(C4(C)OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-1592446720 |
0.64 |
C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C
|
|
| MCULE-8460337326 |
0.64 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-4173076088 |
0.64 |
C12(C)C3C(C4OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-2972497233 |
0.64 |
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-6411139095 |
0.64 |
C1C(=C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-5288653087 |
0.64 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-1713731192 |
0.64 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MCULE-6468046338 |
0.64 |
CC1C(C)C(=CC(O)=O)CO1
|
|
| MCULE-2908265762 |
0.64 |
CC1C(C)C(=C(C(O)=O)C)CO1
|
|
| MCULE-6686022329 |
0.64 |
C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
|
|
| MCULE-2338427492 |
0.64 |
CC(CC1OCCC1)=CC(O)=O
|
|
| MCULE-1396534041 |
0.64 |
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-5179814934 |
0.64 |
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-7365003259 |
0.64 |
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-6622354875 |
0.64 |
O=C1C2(C(C)(C3(C)C2(C)O3)C(C)=C1C)C
|
|
| MCULE-3539513004 |
0.64 |
C1(C(O)=O)=CC(C(O)C1(C)C)(C)C
|
|
| MCULE-7818588594 |
0.64 |
CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
|
|
| MCULE-3183629646 |
0.64 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| MCULE-7045262498 |
0.64 |
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-4388066404 |
0.64 |
C1[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]12[H]
|
|
| MCULE-3094170088 |
0.64 |
O=C1C=C[C@@H](O)[C@@]2([H])[C@](C[C@@H](C2)O)([H])C=CCCC[C@H](C)O1
|
|
| MCULE-1228200157 |
0.64 |
C1[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]2([H])C[C@@H]1O
|
|
| MCULE-7768079101 |
0.64 |
O1[C@H](C)CCCC=C[C@@]2([H])C[C@@H](O)C[C@]2([H])[C@H](C=CC1=O)O
|
|
| MCULE-1819290201 |
0.64 |
[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-1898871437 |
0.64 |
C12CC(CC1C=CCCCC(C)OC(=O)C=CC2O)O
|
|
| MCULE-6426429596 |
0.64 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
|
|
| MCULE-8026671401 |
0.64 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CC(C[C@H](C(=O)O)C)=O)C)C[C@@H]3O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-2469940549 |
0.64 |
CC(C1C(C(C2OCCC=2)=O)C1)(C)C
|
|
| MCULE-2846121944 |
0.64 |
O=C(C1OCCC=1)C1C2(CC2)C1
|
|
| MCULE-9310183372 |
0.64 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
|
|
| MCULE-6460959687 |
0.64 |
C12C3C4CC1C2C4C(C(OC)=O)=C3C(OC)=O
|
|
| MCULE-8388945163 |
0.64 |
CC(C(C1OCCC=1)=O)C1CCC1
|
|
| MCULE-1193956374 |
0.64 |
C1(C)C(=O)[C@@H]2O[C@@H]2[C@@H](C)C=1
|
|
| MCULE-7949052065 |
0.64 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-5390730136 |
0.64 |
O1C2(CCC=C(C(OCC)=O)C2)OCC1
|
|
| MCULE-6948376818 |
0.64 |
CN(C(CCOC(C1CCCCCC=1)=O)=O)C
|
|
| MCULE-2618463932 |
0.64 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-7398153673 |
0.64 |
CC1C(C)C(=CC(OC(C)(C)C)=O)CO1
|
|
| MCULE-2006272354 |
0.64 |
CCOC(C(C)=C1C(C)C(C)OC1)=O
|
|
| MCULE-7827480563 |
0.64 |
C1=C(C(C(O)C(C(C)C)C1O)=O)CO
|
|
| MCULE-6290581989 |
0.64 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-8967422657 |
0.64 |
O1C(C)(C)CCCC1(C)C(=O)C=CCC
|
|
| MCULE-2740918613 |
0.64 |
CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
|
|
| MCULE-8049371882 |
0.64 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-3893076732 |
0.64 |
COC(C=C1COC(C)CC1)=O
|
|
| MCULE-1698252366 |
0.64 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1[C@H](O)CC1(C)C(CC[C@]12O)[C@@](C)(O)[C@@H](O)CCC(C)(C)O
|
|
| MCULE-5666426405 |
0.64 |
C12(O)C(O)C(C)(C)CC31C(C)CCC3C(C(=O)O)=C2
|
|
| MCULE-8674366228 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-4909295164 |
0.64 |
C12C(OC(C)=O)CC3C(CCCC3(C)C)C=1C(C(O)=C(C(C)C)C2=O)=O
|
|
| MCULE-1625834654 |
0.64 |
C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-6033104668 |
0.64 |
O1C(=O)C(CC(O)C)=CC1C(C)O
|
|
| MCULE-7500403231 |
0.64 |
[C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-4937005028 |
0.64 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
|
|
| MCULE-2041000423 |
0.64 |
[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-1015687242 |
0.64 |
C1(C)=CC(=O)CC(C(C)C)C1C(OCC)=O
|
|
| MCULE-7048270500 |
0.64 |
C1CC2(C)CC3OC(=O)C(C)=C3CC2C(=C)C1O
|
|
| MCULE-7553498370 |
0.64 |
C1(C)=CC(=O)CC(CCCCCCC)C1C(OCC)=O
|
|
| MCULE-1260945499 |
0.64 |
C1(C)=CC(=O)CC(CC(C)C)C1C(OCC)=O
|
|
| MCULE-3008910536 |
0.64 |
C1(C)=CC(=O)CC(C(CCCC)CC)C1C(OCC)=O
|
|
| MCULE-8399347131 |
0.64 |
[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-2910628288 |
0.64 |
C1(C)C(CCC(=O)C=1CC)C(OCC)=O
|
|
| MCULE-5409598406 |
0.64 |
C1(C)=CC(=O)CC(CCCCCC)C1C(OCC)=O
|
|
| MCULE-6651693585 |
0.64 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-9523048589 |
0.64 |
C(OCC)(C1C(C)CC(C=C1C)=O)=O
|
|
| MCULE-7051647001 |
0.64 |
O=C1CC(CC)C(C(=O)OCC)C(C)=C1
|
|
| MolPort-046-697-193 |
0.64 |
CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
|
|
| MolPort-002-799-019 |
0.64 |
COC(=O)C1=C(C2C3C4CC2C1C34)C(=O)OC
|
|
| MolPort-046-148-368 |
0.64 |
OC(=O)C1=CC2(C1)CCOC2
|
|
| MolPort-019-931-768 |
0.64 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MolPort-044-559-309 |
0.64 |
CCOC(=O)C1=CCCC2(C1)OCCO2
|
|
| MolPort-006-069-086 |
0.64 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-029-937-849 |
0.64 |
CN(C)C(=O)CCOC(=O)C1=CCCCCC1
|
|
| MolPort-001-742-448 |
0.64 |
COC(=O)\C=C(\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O
|
|
| MolPort-035-686-140 |
0.64 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-002-135-205 |
0.64 |
CC\C=C\C(=O)C1(C)CCCC(C)(C)O1
|
|
| MolPort-019-937-255 |
0.64 |
CC(C)C1C(O)C=C(CO)C(=O)C1O
|
|
| MolPort-000-732-301 |
0.64 |
CC(C)(O)CC[C@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3[C@H](O)CC12C
|
|
| MolPort-002-526-405 |
0.64 |
CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3[C@H](O)C[C@]12C
|
|
| MolPort-039-141-776 |
0.64 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-039-338-983 |
0.64 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-039-141-359 |
0.64 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-039-239-969 |
0.64 |
CCOC(=O)C1=C(N)CCCCC1
|
|
| MolPort-039-141-999 |
0.64 |
CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
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| MolPort-046-148-587 |
0.64 |
CCCC1CC=CC(=O)O1
|
|
| MolPort-044-637-540 |
0.64 |
CC1CCC2C(=CC3(O)C(O)C(C)(C)CC123)C(O)=O
|
|
| MolPort-020-001-490 |
0.64 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-001-739-511 |
0.64 |
CC(O)CC1=CC(OC1=O)C(C)O
|
|
| MolPort-002-527-896 |
0.64 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
|
|
| MolPort-006-119-261 |
0.64 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
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| MolPort-046-596-926 |
0.64 |
CC12CC3OC33C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
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|
| MolPort-002-515-580 |
0.64 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
|
|
| MolPort-002-534-301 |
0.64 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
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0.64 |
CCCCC(CC)C1CC(=O)C=C(C)C1C(=O)OCC
|
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0.64 |
CCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-000-717-454 |
0.64 |
CCCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
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| MolPort-001-739-842 |
0.64 |
CC1=C2CC3C(=C)C(O)CCC3(C)CC2OC1=O
|
|
| MolPort-023-220-734 |
0.64 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-027-853-729 |
0.64 |
CC1=C2CC3C(=C)CCCC3(C)CC2OC1=O
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0.64 |
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
|
|
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0.64 |
CCOC(=O)C1CCC(=O)C=C1C
|
|
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0.64 |
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1
|
|
| MolPort-046-793-021 |
0.64 |
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-002-508-698 |
0.64 |
CCOC(=O)C1C(CC)CC(=O)C=C1C
|
|
| MolPort-002-509-004 |
0.64 |
CCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-002-509-866 |
0.64 |
CCOC(=O)C1C(CC(C)C)CC(=O)C=C1C
|
|
| MolPort-002-539-057 |
0.64 |
CCCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-002-521-219 |
0.64 |
C[C@]12CCC3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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| MolPort-000-697-674 |
0.64 |
CCOC(=O)C1C(CC(=O)C=C1C)C(C)C
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|
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0.63 |
CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
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0.63 |
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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| MolPort-029-937-857 |
0.63 |
O=C(OC1CCOC1)C1=CCCCCC1
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|
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0.63 |
C=CC1OC2CCCCC2C2=C1CCCC2
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|
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0.63 |
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
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0.63 |
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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0.63 |
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
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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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|
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0.63 |
CC1(CO)C(O)CCC2(C)C(C\C=C3\C(O)COC3=O)C(=C)CCC12
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|
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0.63 |
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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0.63 |
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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0.63 |
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](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
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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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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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CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
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CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
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0.63 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
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0.63 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
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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
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[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]
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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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|
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COC1C(O)C2C(C)(C)CCCC2(C)C2=C1C(=O)OC2
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CCC(C)(O)CCCCCC1OC(=O)C=C1
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OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
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0.63 |
CC(O)C(C)CCCCCC1OC(=O)C=C1
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OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
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[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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O=C1CC2OC(C1)C=C2
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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
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CCC(C)=CC(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C
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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
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CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O
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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
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C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
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CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
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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
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COC(=O)\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
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CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@]2(O)OC1=O
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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
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COC(=O)C1=CCOC11CCC1
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0.63 |
C1(=O)C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
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0.63 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1O
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0.63 |
C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
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0.63 |
C1C[C@@]2(C)C(CCC(=C)[C@@H]2CC/C(=C/C(OC)=O)/C)[C@](C(O)=O)(C)C1
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0.63 |
O=C(C1OCCC=1)C1CCC2(CC2)CC1
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OC(C=CC(C1C2OC(CC2)C1)=O)=O
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O=C(C1OCCC=1)C1CC2(CC2)CCC1
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C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
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| MCULE-4966336591 |
0.63 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
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0.63 |
CC1OCC(=CC(OC(C)(C)C)=O)CC1
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C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
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[C@H]1(O)C[C@@]2([C@@]3([H])[C@H](O)C[C@@]4([C@@](CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)([H])[C@](O)(C)[C@H](O)C[C@H](O)C(C)C)C)C
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0.63 |
C1C[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
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0.63 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
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0.63 |
CCOC(C(C)=C1COC(C)CC1)=O
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C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
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[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
|
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0.63 |
[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
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0.63 |
C1(OCC2COC(C=21)CCCCCCC(C)C)=O
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C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
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0.63 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1
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0.63 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
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0.63 |
C1(OCC2COC(CCCCCCC)C=21)=O
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C1(=O)C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)CC[C@@]2(C)C(C)=C1
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0.63 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
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0.63 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
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| MCULE-5004523631 |
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C(OCC1CCC1)(=O)C([H])=C([H])C1CCC1
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| MCULE-6834807417 |
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C1C2(CCOC(C)(C)C2)CCC(=O)C=1
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| MCULE-1695863761 |
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C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
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| MCULE-3124657861 |
0.63 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
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0.63 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=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(=O)C(C)=CC
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COC(C[C@H](OC(C1CCCC=1)=O)C)=O
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| MCULE-3193343372 |
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
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0.63 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
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|
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0.63 |
C(=C/C(OC)C(O)C(C)/C=C(/C)\C(C(C(CCCC(CC(=O)N)CC(=O)OC)=O)C)O)\CC/C=C/C(=O)OC
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0.63 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
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|
| MCULE-4127784247 |
0.63 |
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-9630312174 |
0.63 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
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|
| MCULE-1091339345 |
0.63 |
O=C(C1CCCCCC=1)OC1COCC1
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|
| MCULE-7994100715 |
0.63 |
OC(C=CC(C1OCCC1)=O)=O
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|
| MCULE-4654267035 |
0.63 |
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-7738581129 |
0.63 |
[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-1226859520 |
0.63 |
O=C1/C(=C/CC2C3(C)C(C(C(CC3)O)(CO)C)CCC2=C)/C(O)CO1
|
|
| MCULE-7816980935 |
0.63 |
CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O
|
|
| MCULE-5521128905 |
0.63 |
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-5854292644 |
0.63 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1
|
|
| MCULE-8461763255 |
0.63 |
[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
|
|
| MCULE-4379391397 |
0.63 |
C12(C)CCC(C(C)(CO)C1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
|
|
| MCULE-7580934560 |
0.63 |
[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-6184262602 |
0.63 |
C12(C)CCC(C(C)(CO)C1CCC(=C)C2C/C=C1/C(O)COC/1=O)O
|
|
| MCULE-4668660484 |
0.63 |
C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C
|
|
| MCULE-1659372694 |
0.63 |
[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-7505841337 |
0.63 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MCULE-3087856332 |
0.63 |
[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-8921610933 |
0.63 |
[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-9442123200 |
0.63 |
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-4619084731 |
0.63 |
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-3762190089 |
0.63 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MCULE-9983704891 |
0.63 |
CC1OCC(=CC(O)=O)CC1
|
|
| MCULE-3873973273 |
0.63 |
CC1OCC(=C(C(O)=O)C)CC1
|
|
| MCULE-1204106358 |
0.63 |
COC(=O)CCCCCCC/C=C\CC(C(O)/C=C\C(O)CC)O
|
|
| MCULE-1081447415 |
0.63 |
O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
|
|
| MCULE-9797478674 |
0.63 |
C1C(=O)OC(CCCCCC(C(O)C)C)C=1
|
|
| MCULE-6024774190 |
0.63 |
C1C(=O)OC(CCCCCC(CC)(O)C)C=1
|
|
| MCULE-5561830636 |
0.63 |
C1(=O)C=CC(CCCCCCCCCCCCC)O1
|
|
| MCULE-4127840431 |
0.63 |
C12OC(C=C1)CC(=O)C2
|
|
| MCULE-9193800742 |
0.63 |
C1CC(OC(C)=O)C=CCCC1
|
|
| MCULE-8617095272 |
0.63 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-6232978473 |
0.63 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-8133468470 |
0.63 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
|
|
| MCULE-5304194793 |
0.63 |
CCC(C)=CC(OC1C(=C)C2CC(C(C(OC(C)=O)C)C2C(C(C)C)C1)=O)=O
|
|
| MCULE-6576560001 |
0.63 |
[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-5291547123 |
0.63 |
[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
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| MolPort-046-762-296 |
0.63 |
OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
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| MolPort-044-649-750 |
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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-007-549-415 |
0.63 |
CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
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|
| MolPort-039-338-230 |
0.63 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC1=CC(=O)OC1O
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|
| MolPort-039-338-980 |
0.63 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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| MolPort-007-980-841 |
0.63 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
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|
| MolPort-005-944-261 |
0.63 |
CC(C)CCCCCCC1OCC2=C1C(=O)OC2
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|
| MolPort-005-944-258 |
0.63 |
CCCCCCCC1OCC2=C1C(=O)OC2
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|
| MolPort-039-138-940 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCC(CC(O)=O)OC
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|
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0.63 |
CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
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|
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0.63 |
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
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|
| MolPort-046-793-115 |
0.63 |
CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3C(O)(O)C[C@]12C
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0.63 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
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CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
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| MolPort-000-707-481 |
0.63 |
CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
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| MolPort-046-765-295 |
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)OCC3=O)C(=C)CC[C@H]12
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|
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0.63 |
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
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|
| MolPort-001-512-553 |
0.63 |
CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
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|
| MolPort-001-742-530 |
0.63 |
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
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CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
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CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
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|
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0.63 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
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0.63 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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| MolPort-002-527-547 |
0.63 |
[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
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0.63 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C
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|
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0.63 |
CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
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|
| MolPort-002-528-272 |
0.63 |
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
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| MolPort-002-530-312 |
0.63 |
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
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|
| MolPort-046-067-613 |
0.63 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
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|
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0.63 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
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|
| MolPort-001-742-387 |
0.63 |
CC1(C)CC2C1[C@@H](O)CC(=CCCC2=C)C(O)=O
|
|
| MolPort-001-917-870 |
0.63 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
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|
| MolPort-002-509-604 |
0.63 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-042-646-608 |
0.63 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
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|
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0.63 |
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-046-697-346 |
0.63 |
CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
|
|
| MolPort-002-530-359 |
0.63 |
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-003-712-637 |
0.63 |
C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-002-818-342 |
0.63 |
CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
|
|
| MolPort-046-203-369 |
0.63 |
CCOC(=O)C12CCCC1=CC(=O)CC2
|
|
| MolPort-003-855-493 |
0.63 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
|
|
| MolPort-029-919-993 |
0.63 |
COC(=O)C[C@@H](C)OC(=O)C1=CCCC1
|
|
| MolPort-035-706-503 |
0.63 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-022-880-509 |
0.63 |
CCOC(=O)C12CCCCC1=CC(=O)CC2
|
|
| MolPort-038-386-706 |
0.63 |
COC(\C=C\CC\C=C\C(=O)OC)C(O)C(C)\C=C(\C)C(O)C(C)C(=O)CCCC(CC(N)=O)CC(=O)OC
|
|
| MolPort-035-681-208 |
0.63 |
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
|
|
| MolPort-035-706-023 |
0.63 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-039-052-482 |
0.63 |
O[C@@]12CCO[C@@H]1CC(=O)C=C2
|
|
| MolPort-023-333-208 |
0.63 |
[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-003-931-083 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-019-939-222 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-003-938-775 |
0.63 |
[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-044-562-012 |
0.63 |
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-046-158-534 |
0.63 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-524-580 |
0.63 |
[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-002-524-485 |
0.63 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-649-831 |
0.63 |
COC(=O)C1=CCC(CN)CC1
|
|
| MolPort-044-723-790 |
0.63 |
[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-027-640-913 |
0.63 |
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-027-640-929 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-002-041-371 |
0.63 |
COC(=O)C1=CCCC1
|
|
| MolPort-020-168-631 |
0.63 |
CCOC(CC(O)=O)C1=CCCC1
|
|
| MolPort-029-924-741 |
0.63 |
O=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
|
|
| MolPort-028-950-795 |
0.63 |
CCOC(=O)C1=C(N)CCC(C)C1
|
|
| MolPort-000-707-568 |
0.63 |
[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-019-937-301 |
0.63 |
CC\C=C/CC1=C(CCCCC2CCC(=O)O2)C(CC1=O)OC
|
|
| MolPort-044-559-975 |
0.62 |
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
|
|
| MolPort-042-675-476 |
0.62 |
CC1CC2(OC(C)=O)C(\C=C(C)\C(O)CC3C(\C=C(C)\C2=O)C3(C)C)C1O
|
|
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0.62 |
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-039-338-558 |
0.62 |
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-044-754-158 |
0.62 |
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 |
0.62 |
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-020-005-698 |
0.62 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-039-052-352 |
0.62 |
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-001-741-220 |
0.62 |
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-003-937-159 |
0.62 |
CC(=O)\C=C\C1C2(C)OC2CCC1(C)C
|
|
| MolPort-046-153-094 |
0.62 |
OCCC1(O)C=CC(=O)CC1O
|
|
| MolPort-006-668-580 |
0.62 |
CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C21O
|
|
| MolPort-027-853-559 |
0.62 |
CCC1OC(=O)C(C)CC(C)C(=O)\C(C)=C\C(C)C(=O)\C=C\C1(C)O
|
|
| MolPort-003-702-338 |
0.62 |
C\C=C\C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-009-018-224 |
0.62 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
|
|
| MolPort-003-855-527 |
0.62 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C\C
|
|
| MolPort-044-649-744 |
0.62 |
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-001-741-161 |
0.62 |
CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(COC(C)=O)=C\COC(C)=O)C(O)=O
|
|
| MolPort-028-318-947 |
0.62 |
CC(OC(=O)C1=CCCC1)C(C)(C)C#N
|
|
| MolPort-002-530-454 |
0.62 |
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
|
|
| MolPort-001-739-582 |
0.62 |
CCCC1=CC(=O)C(O)C1O
|
|
| MolPort-046-690-855 |
0.62 |
[Na+].C[C@H](O)[C@H](C)[C@H]1O[C@@H]2[C@H](CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@@H]2O)C[C@@H]1O
|
|
| MolPort-046-418-865 |
0.62 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-006-393-960 |
0.62 |
C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O
|
|
| MolPort-019-937-355 |
0.62 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
|
|
| MolPort-000-825-884 |
0.62 |
[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-046-426-259 |
0.62 |
C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C\C(O)=O
|
|
| MolPort-002-528-252 |
0.62 |
[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
|
|
| MCULE-9599862192 |
0.62 |
[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-7055938722 |
0.62 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H]
|
|
| MCULE-8774906136 |
0.62 |
C(C)(=CCCCCCC)C(=O)OCC
|
|
| MCULE-6831179748 |
0.62 |
[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-9798772296 |
0.62 |
O=C(C1CCCCC=1)OC1CCC2(OCCO2)CC1
|
|
| MCULE-4320007788 |
0.62 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-3606282792 |
0.62 |
C(OC)(=O)C1CCCC=1
|
|
| MCULE-6605023747 |
0.62 |
C(C)(C(=O)OCC)=C(C)CCCCCC
|
|
| MCULE-7141669330 |
0.62 |
C1=C[C@]2(O)CCO[C@]2([H])CC1=O
|
|
| MCULE-3353701926 |
0.62 |
O1C2C1C1CC2C2C1C(C=CC2=O)=O
|
|
| MCULE-6357389651 |
0.62 |
CCOC(C1CCCC=1)CC(O)=O
|
|
| MCULE-8557334664 |
0.62 |
CC(OC(C=C1CCOCCC1)=O)(C)C
|
|
| MCULE-1100298898 |
0.62 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]([C@@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)O
|
|
| MCULE-8381855401 |
0.62 |
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-9055590032 |
0.62 |
[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-1566350070 |
0.62 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-8663661247 |
0.62 |
C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
|
|
| MCULE-8753646114 |
0.62 |
[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-3821215089 |
0.62 |
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-7395356540 |
0.62 |
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-3716742475 |
0.62 |
[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-9439877737 |
0.62 |
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-9972205159 |
0.62 |
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-3280168913 |
0.62 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-1152059303 |
0.62 |
C1(CC2CCC(O2)C1)=CC(O)=O
|
|
| MCULE-9340600776 |
0.62 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-3828542428 |
0.62 |
C1C(O)C(O)(CCO)C=CC1=O
|
|
| MCULE-5872033859 |
0.62 |
C1CC2(C)C3(O)C(O)OC(=O)C3=CCC2C(C)(C)C1
|
|
| MCULE-2126738487 |
0.62 |
C1=CC(O)(C(OC(C(CC(C)C(=O)C(=CC(C)C1=O)C)C)=O)CC)C
|
|
| MCULE-7186730051 |
0.62 |
CC(C(C#N)(C)C)OC(C1CCCC=1)=O
|
|
| MCULE-8493622164 |
0.62 |
[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-1689029135 |
0.62 |
O=C(C1OCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-4172276793 |
0.62 |
O=C(C12CCCC1C2)C1OCCC=1
|
|
| MCULE-9024401259 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-4464120365 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-4343790137 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8124558417 |
0.62 |
C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C
|
|
| MCULE-3632084054 |
0.62 |
C123CCC(=O)C1C1C(=O)CCC1(O2)C=C3
|
|
| MCULE-1972388021 |
0.62 |
O=C(C1OCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-9364352705 |
0.62 |
C12CC3(CC3)CC=1C(=O)OC2=O
|
|
| MCULE-6126592730 |
0.62 |
O1C2C31C(C)(CCC(O)C3)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=C2)[H]
|
|
| MCULE-4224586374 |
0.62 |
CC(C=C(CC1OCCC1)C)=O
|
|
| MCULE-3727435032 |
0.62 |
C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-1671554697 |
0.62 |
C1(C(O)C(O)C(=C1)CCC)=O
|
|
| MCULE-6887763526 |
0.62 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)O
|
|
| MCULE-2606384678 |
0.62 |
[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-1443616160 |
0.62 |
CC1C(CCC2COC(=O)C=2)(C)C2CC(O)C=C(CO)C2(COC(C)=O)CC1
|
|
| MCULE-5530658305 |
0.62 |
O1C(C)CCC(O)C=CC(=O)OC(C)CCC(O)C=CC1=O
|
|
| MCULE-5943290394 |
0.62 |
C1(=O)C=C[C@@H](O)CC[C@@H](C)OC(C=C[C@@H](O)CC[C@@H](C)O1)=O
|
|
| MCULE-7577519245 |
0.62 |
C1(=O)C(C)=C(CO1)CCCCC(O)C(C)O
|
|
| MCULE-2395243989 |
0.62 |
C1(Br)(Br)C(=O)C(C(=O)OCC)=CC(C)(C)C1
|
|
| MCULE-4273868412 |
0.62 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-3036206485 |
0.62 |
C1CCC=CC=CCC(C)OC(=O)C=CCC(O)C1
|
|
| MCULE-6561827943 |
0.62 |
C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2
|
|
| MCULE-8903950072 |
0.62 |
C1=C(C(OC)=O)CC(OC(C)C(=O)O)C(O)C1O
|
|
| MCULE-8464956672 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-7255355215 |
0.62 |
OC(CC1=C(C(O)=O)CCCC1)=O
|
|
| MCULE-6499205732 |
0.62 |
O=C1C=C(CCC2OCCCC2)CC1
|
|
| MCULE-9513148820 |
0.62 |
O=C1C=C(CCC2OCCCC2)CCC1
|
|
| MCULE-2488392484 |
0.62 |
[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-1537420527 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-2460567264 |
0.62 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCCC)=O
|
|
| MCULE-9774427702 |
0.62 |
C1(C(O)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-6317774895 |
0.62 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O
|
|
| MCULE-8961282760 |
0.62 |
C1C=C(C)C(=O)C=CC(C)(C)C2C=C(C1)C(=O)O2
|
|
| MCULE-3941648652 |
0.62 |
C1(C(O)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-3648597514 |
0.62 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C)=O
|
|
| MCULE-7064805050 |
0.62 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCC)=O
|
|
| MCULE-2061017881 |
0.62 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C(C)(C)C)=O
|
|
| MCULE-3930781117 |
0.62 |
O=C(C12COCC1C2)C1CCCCC=1
|
|
| MCULE-9407663226 |
0.62 |
O=C(C12COCC1C2)C1CCCC=1
|
|
| MCULE-5727001856 |
0.62 |
O=C(C12COCC1C2)C1CCCCCC=1
|
|
| MCULE-5234178765 |
0.62 |
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-8538526232 |
0.62 |
O(C(C)=O)C12C(C)(C)C1C1C(O)(C(C)C2O)C2C=C(C)C(C2CC(CO)=C1)=O
|
|
| MCULE-9206020628 |
0.62 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-9894416903 |
0.62 |
C1CC2(C)C3(CCC(C=C)(C)C=C3C(O)=O)OC(=O)C2C(C)(C)C1
|
|
| MCULE-9101975825 |
0.62 |
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-3176715940 |
0.62 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-5920266438 |
0.62 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=C1
|
|
| MCULE-9968073626 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@@H](OC)C=C2C[C@H]1O
|
|
| MCULE-7578948094 |
0.62 |
C1(C(=O)OCC)CC2(CC2)CC=1C#N
|
|
| MCULE-6325385060 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MCULE-5064582585 |
0.62 |
C12(OCCO1)CCC1C3CCC4=CC5(CCC4(C)C3C(=O)CC21C)OCCO5
|
|
| MCULE-7588379835 |
0.62 |
C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
|
|
| MCULE-5965392040 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@H](OC)C=C2C[C@H]1O
|
|
| MCULE-8661398095 |
0.62 |
CCOC(C(C)=C1C(C)CCCCC1)=O
|
|
| MolPort-005-944-410 |
0.62 |
CC(O)C(O)CCCCC1=C(C)C(=O)OC1
|
|
| MolPort-001-739-845 |
0.62 |
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-046-153-174 |
0.62 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
| MolPort-023-331-412 |
0.62 |
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@@H](O)C=C2C1
|
|
| MolPort-039-033-008 |
0.62 |
CCCCCCC\C=C1\CC(=O)OC1=O
|
|
| MolPort-046-697-331 |
0.62 |
CC1CC2C(C=CC3C2CC2=C(O)CC(CC(O)C3C)OC2=O)C1OC(C)=O
|
|
| MolPort-027-853-575 |
0.62 |
COC(=O)C1=CC(O)C(O)C(C1)OC(C)C(O)=O
|
|
| MolPort-002-509-430 |
0.62 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-506-965 |
0.62 |
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
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CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
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CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
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C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
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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
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CC1=C(C(O)=O)C2(CCCCCC2)OC1=O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
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CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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CC1=CC(CC(C)(C)C1)OC(=O)CC1CCCO1
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCO
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C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CCC1=CC(=O)OC1O
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CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]3(C)[C@H]12)[C@H](C)C\C=C\C(C)(C)OC
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CC12CC(=O)C3C(CCC4=CC5(CCC34C)OCCO5)C1CCC21OCCO1
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CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O
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C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
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CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
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CCC1CC(=O)C=C(C)C1C(=O)OC
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COC(=O)C1C(CC(C)C)CC(=O)C=C1C
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COC(=O)C1C(CC(=O)C=C1C)C(C)C
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CCCCCC1CC(O)C=C(C)C1C(=O)OC
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COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
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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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CC(O)C\C=C\C=C\C1=C(CO)C2OC(CC2(O)CC1=O)C(C)(C)O
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C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
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C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
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| MCULE-4385148400 |
0.61 |
OCC1=CC(C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21[H])=O
|
|
| MCULE-5417027317 |
0.61 |
O(C1C(O)CCC(=O)OC(C)C(OC(=O)/C=C/C)C=C1)C(C)=O
|
|
| MCULE-6322752441 |
0.61 |
C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)CC(O)C2=CCOC2=O)C1)[H]
|
|
| MCULE-2983690182 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-8770472130 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-5467493333 |
0.61 |
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-6247777566 |
0.61 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-4024956051 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-4882022453 |
0.61 |
COC1CC(OC(C2CCCC=2)=O)CC(OC)C1
|
|
| MCULE-3161766037 |
0.61 |
C(O)(C1=CCCCCCCCCC1)=O
|
|
| MCULE-2185195019 |
0.61 |
[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-3035603698 |
0.61 |
C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
|
|
| MCULE-5045812758 |
0.61 |
C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
|
|
| MCULE-4660404446 |
0.61 |
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-5975510957 |
0.61 |
C1(C[C@H](C)O)=C[C@H](O)[C@H](OC1=O)C
|
|
| MCULE-3127663767 |
0.61 |
C1(CCCCC=1N)C(OCC)=O
|
|
| MCULE-9566808009 |
0.61 |
[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-9891857644 |
0.61 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3
|
|
| MCULE-1916767135 |
0.61 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-4187073986 |
0.61 |
CCCCCCCCCC/C(/C(=O)O)=C\CC(=O)O
|
|
| MCULE-6259433997 |
0.61 |
CCCCCCCC/C(/C(=O)O)=C/CC(=O)O
|
|
| MCULE-3243112791 |
0.61 |
C(/CC(=O)O)=C(\CCCCCCC=C)/C(=O)O
|
|
| MCULE-2652266780 |
0.61 |
C(C=CCCCCCCCC(=O)OCCCC)[C@H](O)CCCCCC
|
|
| MCULE-1249084285 |
0.61 |
C(/CC(=O)O)=C(\CCCCCCCCC=C)/C(=O)O
|
|
| MCULE-7110389607 |
0.61 |
O=C1C=CC2(CCOCC2)CC1
|
|
| MCULE-4437204352 |
0.61 |
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-2586534289 |
0.61 |
C1=C(C2C(C)O2)C(=O)OC1([H])C(O)C
|
|
| MCULE-1159348886 |
0.61 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-2852293806 |
0.61 |
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-1278548612 |
0.61 |
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-7557744061 |
0.61 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
|
|
| MCULE-9361020402 |
0.61 |
C1(C(OC)=O)CCC(=O)C=C1C
|
|
| MCULE-7557361657 |
0.61 |
COC(C1C(C)=CC(=O)CC1CC(C)C)=O
|
|
| MCULE-5808327631 |
0.61 |
C1(C)=CC(=O)CC(C(C)C)C1C(OC)=O
|
|
| MCULE-4072425654 |
0.61 |
O=C1CC(C)C(C(=O)OC)C(C)=C1
|
|
| MCULE-9358218393 |
0.61 |
C1(C)=CC(=O)CC(CC)C1C(OC)=O
|
|
| MCULE-2093089655 |
0.61 |
C1(C)=CC(=O)CC(CCC)C1C(OC)=O
|
|
| MCULE-3551560150 |
0.61 |
C1(C)=CC(=O)CC(CCCCC)C1C(OC)=O
|
|
| MCULE-7695267890 |
0.61 |
C(=O)(C(OCC)OCC)C1CCCC=1
|
|
| MCULE-5292387234 |
0.61 |
C1(C)=CC(O)CC(CCCCC)C1C(OC)=O
|
|
| MCULE-3603972230 |
0.61 |
C1(CCC(=CC2CCCO2)C1=O)=CC1CCCO1
|
|
| MCULE-4611936405 |
0.61 |
C1C=C(C)CC2(O)OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| 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-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-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-3392078385 |
0.61 |
C1(C(=O)CC2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CC(O)C
|
|
| MCULE-7353523388 |
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)O
|
|
| MCULE-1759828525 |
0.61 |
[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-8590167000 |
0.61 |
C1(O)CCC2(C)C3CCC4(C)C(C5COC(=O)C=5)C(O)CC4(O)C3CCC2C1
|
|
| MCULE-2104971598 |
0.61 |
C1C[C@]2(C)[C@@]([H])(CCC3=CC(=O)OC3O)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-3485652123 |
0.61 |
C1(C(=O)O)(CCCC1)C=C(COCCOC)C(=O)OC(C)(C)C
|
|
| MCULE-1833956894 |
0.61 |
COC(C(C#N)=C1CC(C2CC2)OC1)=O
|
|
| MCULE-2383807113 |
0.61 |
C1[C@@H](C)OC(=O)C[C@@H](O)C=C[C@H]2O[C@@H]12
|
|
| MCULE-8629208814 |
0.61 |
O=CC1(CCOCC1)CC1CC=CCC1
|
|
| MCULE-1010776591 |
0.61 |
C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
|
|
| MCULE-4661795097 |
0.61 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-2969817322 |
0.61 |
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 |
0.61 |
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 |
0.61 |
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-9001401593 |
0.61 |
C1(=O)C=C(C)CC(O)C(=O)C(C)(C)CC=C(C1)CO
|
|
| MCULE-1234424378 |
0.61 |
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-7666040130 |
0.61 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-8808813613 |
0.61 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(/C=C/C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-6914138383 |
0.61 |
[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-6706886768 |
0.61 |
CC(COC1C=CCCCCC1)N
|
|
| MCULE-9380832184 |
0.61 |
C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
|
|
| MCULE-5187157844 |
0.61 |
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-9509535864 |
0.61 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-1836906318 |
0.61 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-5939300673 |
0.61 |
[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-1502775418 |
0.61 |
C12=CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-5004121327 |
0.61 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-9952649566 |
0.61 |
CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
|
|
| MCULE-7465845608 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
|
|
| MCULE-3011305929 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H]
|
|
| MCULE-9824449913 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
|
|
| MCULE-7414624056 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
|
|
| MCULE-5246840558 |
0.61 |
[C@]12(C(CO)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-1496776491 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
|
|
| MCULE-8222265685 |
0.61 |
C1(CC23CC(OC2CCC1(O)C3)=O)/C(/C)=C\C(=O)/C=C(\C)/C
|
|
| MCULE-1671560839 |
0.61 |
[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
|
|
| MCULE-3365689266 |
0.61 |
C1(CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-2130027368 |
0.61 |
C1(CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-7441378184 |
0.61 |
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-5092150576 |
0.61 |
OC1C(OC(=O)C)CCC(OC(C)C(C=C1)OC(=O)/C=C/C)=O
|
|
| MCULE-7624822737 |
0.61 |
[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-8052397157 |
0.61 |
C1C[C@@]2(C3(C(=C[C@H]([C@@]2([H])C(C)(C)C1)O)COC3=O)O)C
|
|
| MCULE-5967543500 |
0.61 |
C1CC2(C3(O)C(=CC(O)C2C(C)(C)C1O)COC3=O)C
|
|
| MCULE-1428350503 |
0.61 |
C12C(O)OC(=O)C=1CC(O)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-7364536785 |
0.61 |
C(/C(=C/C)/C)(O[C@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C)=O
|
|
| MCULE-6976868103 |
0.61 |
OC1CC(=O)C(CCCCCCC(O)=O)C1/C=C/C(O)CCCCC
|
|
| MCULE-3621676306 |
0.61 |
CCOC(C(C)=C1C2(CCCC2)CC1)=O
|
|
| MCULE-7704363210 |
0.61 |
CCOC(/C(/C)=C1\CCC2(CC2)CC\1)=O
|
|
| MCULE-2187659696 |
0.61 |
O=CC1(COCC1)CC1CC=CCC1
|
|
| MCULE-5248179465 |
0.61 |
CCCCCC(C=CC1C(CCCCCCC(=O)O)C(=O)CC1O)O
|
|
| MCULE-7591578797 |
0.61 |
[C@H]1(CCCCCCC(=O)O)C(=O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCCCC
|
|
| MCULE-3728655247 |
0.61 |
O=CC1(COCCC1)CC1CC=CCC1
|
|
| MCULE-2517844980 |
0.61 |
O=C(CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](CCCCC)O)O
|
|
| MCULE-5918636692 |
0.61 |
C1(=O)[C@H](CCCCCCC(=O)O)[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C1
|
|
| MCULE-4026127058 |
0.61 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
|
|
| MCULE-4300685547 |
0.61 |
C1(C)C(C)C(CC(=O)CC(=O)OCC)C(=O)C=1
|
|
| MCULE-8467892216 |
0.61 |
C1(C[C@@H](O)[C@@H]([C@H](O)C=1)O)C(O)=O
|
|
| MCULE-2599314177 |
0.61 |
C1(CC(O)C(C(O)C=1)O)C(O)=O
|
|
| MCULE-9138847690 |
0.61 |
C1(C[C@@H](O)[C@@H]([C@H](O)C=1)O)C(O)=O
|
|
| MCULE-7096460548 |
0.61 |
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-9760230651 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-4161111446 |
0.61 |
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-7170821286 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
|
|
| MCULE-4587387143 |
0.61 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
|
|
| MCULE-4551637584 |
0.61 |
C1CC2(C)C3C(OC)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1OC(=O)C
|
|
| MCULE-8258665383 |
0.61 |
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-4498603332 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
|
|
| MCULE-1300552918 |
0.61 |
C1(C(OC)=O)C2C(C3CC2C=C3)C=1C(OC)=O
|
|
| MCULE-2982639627 |
0.61 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O
|
|
| MCULE-4751725371 |
0.61 |
C1(C)C(O)C2(O)C(C)(C)C2([H])C2([H])C=C(CO)CC3(O)C(=O)C(C)=CC3([H])C12O
|
|
| MCULE-4157019388 |
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CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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C\C1=C/C(=O)C\C(CO)=C\CC(C)(C)C(=O)C(O)C1
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CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C(O)=O)C=C1COC(=O)C21O
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CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21C(=O)CO
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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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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
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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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CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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0.60 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-046-148-493 |
0.60 |
OC(=O)C1=CC2(C1)CCOCC2
|
|
| MolPort-039-338-963 |
0.60 |
C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-002-800-680 |
0.60 |
CC(C)(C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-020-005-740 |
0.60 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-021-804-689 |
0.60 |
CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-046-677-790 |
0.60 |
OC(=O)C1=CC2CCCCCCC12
|
|
| MolPort-035-706-109 |
0.60 |
CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
|
|
| MolPort-046-418-653 |
0.60 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](C=C(C)C2=O)C1(C)C
|
|
| MolPort-002-800-509 |
0.60 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-046-594-244 |
0.60 |
CC1CC2(O)C(C1O)C(O)C(=C)CCC1C(C=C(C)C2=O)C1(C)C
|
|
| MolPort-030-005-334 |
0.60 |
CCOC(=O)C12CCCC1=CC(=O)C2
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|
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0.60 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3CC12C
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| MolPort-000-775-527 |
0.60 |
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
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0.60 |
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
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| MolPort-003-929-501 |
0.60 |
O=C1OC(=O)C2=C1CCC2
|
|
| MolPort-002-799-473 |
0.60 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
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|
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0.60 |
C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
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|
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0.60 |
CC(C)C1CCC2=C(C1\C=C(/CO)C(O)=O)C(=O)OC2
|
|
| MolPort-028-610-046 |
0.60 |
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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0.60 |
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
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|
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0.60 |
CC1OC(=O)C2(C1=O)C(=C)C(C)(CC1=C(C)C3(CCC21C)C=CC(=O)OC3(C)C)C(O)=O
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|
| MolPort-001-740-033 |
0.60 |
C\C=C(/C)C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O
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|
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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
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0.60 |
C\C=C(/C)C1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
|
|
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0.60 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
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|
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
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0.60 |
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
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|
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
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|
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0.60 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
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0.60 |
COC1\C=C\CCC(C)C(C)OC(=O)\C=C\C(C)(O)\C=C\1
|
|
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0.60 |
CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1
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|
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0.60 |
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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|
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0.60 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
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0.60 |
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
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CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
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0.60 |
CCOC(=O)C(\C#N)=C1/CCOC(C)(CC)C1
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0.60 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
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CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
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CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
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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
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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
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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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CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
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CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
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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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[Na+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C2=C[C@H](O)[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
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CC1(C)C2C(O)C=C3COC(=O)C3(O)C2(C)CCC1=O
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|
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CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
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C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
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|
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CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
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0.60 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
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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
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CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
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C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\C(O)CO
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C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
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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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C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](O)CC[C@]31C
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COC1CCC(CC1)OC(=O)C=CC1CC1
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C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
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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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CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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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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C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
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C123C(CCC4=CC(=O)C=CC14C)C1CC(C(O)(C(CO)=O)C1(CC2O3)C)C
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|
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0.60 |
C1(=O)C=C2[C@](C)(C=C1)[C@]13O[C@@]1([H])C[C@@]1(C)[C@@]([H])(C[C@@H](C)[C@]1(O)C(=O)CO)[C@]3([H])CC2
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0.60 |
C123C(CCC4=CC(=O)C=CC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
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C123CCC4(CC1(O2)CCC1C2C(C)(C(CC2)=O)CC=C31)OCCO4
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O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1
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0.60 |
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
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|
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0.60 |
[C@]123CCC4(C[C@]1(O2)CCC1C2C(C)(C(CC2)=O)CC=C31)OCCO4
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0.60 |
C1(C=C(C2OC2C)C(=O)OC1C)O
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0.60 |
C12C(=O)OC(O)C=1CC(OC)(C)C1CC(C)(C)CC1C2O
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C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
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0.60 |
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
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C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
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0.60 |
[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
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C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
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C1(CCC(CC=1)C(C)(C)C)C(O)=O
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0.60 |
C1(C(=O)O)=CCC(CCCCCC)CC1
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C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
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0.60 |
C1(C(C)(C)CCCC=1C)C(O)=O
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COC1C(C(C2CCCCCCC=2)=O)C1
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|
| MCULE-2056984207 |
0.60 |
O1C2CC=CC1CC2
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0.60 |
COC(C=C1CC(C)OC1)=O
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[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
|
|
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0.60 |
[C@]12(O)C[C@@H]([C@H](O)[C@]1([H])[C@@H](O)C(=C)CC[C@@]1(C(C)(C)[C@]1([H])C=C(C)C2=O)[H])C
|
|
| MCULE-8656866182 |
0.60 |
C12CC(C)(C)CC=1C(=O)OC2=O
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|
| MCULE-6315971440 |
0.60 |
O1C(=O)C2=C(CCC2)C1=O
|
|
| MCULE-1077978348 |
0.60 |
[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-2286713902 |
0.60 |
C1C(OC(C)=O)C2(C(CC3C(OC(=O)C=3C)C2)C(=C)C1)C
|
|
| MCULE-1707790411 |
0.60 |
O=C1OC2C(CCC(=CCCC3(C(CCC(=C2)C)O3)C)C)=C1C
|
|
| MCULE-9779909061 |
0.60 |
O=C1C(=C)[C@@]2(CCC(=C3[C@@]([H])([C@@]2([H])O1)C(C)=CC3=O)C)[H]
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|
| MCULE-5787926051 |
0.60 |
C1CC2COC(C=2C(C1C(C)C)/C=C(\CO)/C(=O)O)=O
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|
| MCULE-6534243824 |
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C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-8081626398 |
0.60 |
C1(OC(/C=C/C(O)C(C)O)C(CC1)OC(=O)/C(/C)=C/C)=O
|
|
| MCULE-4058521866 |
0.60 |
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-1931070505 |
0.60 |
C1(CC2=C(C)C3(C=CC(=O)OC3(C)C)CCC2(C)C2(C1=C)C(=O)OC(C)C2=O)(C(=O)O)C
|
|
| MCULE-4082383007 |
0.60 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
|
|
| MCULE-9650544498 |
0.60 |
[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-2716845869 |
0.60 |
C1(C)[C@H](C=C[C@](C=CC(O[C@@H]([C@H](CCC=1)C)C)=O)(O)C)OC
|
|
| 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-6680939605 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(=O)C=CC
|
|
| MCULE-9024219601 |
0.60 |
C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
|
|
| MCULE-1691349217 |
0.60 |
O=C1CC2CCC1(OC)C=C2
|
|
| MCULE-5162561663 |
0.60 |
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-8008111833 |
0.60 |
[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-8983467960 |
0.60 |
C1(C(=O)OC2CC(C(CC=C)=C2C)=O)C(C1(C)C)C(C)=CC
|
|
| MCULE-4622236046 |
0.60 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-4298463614 |
0.60 |
O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
|
|
| MCULE-9988520649 |
0.60 |
C1(C)CCC=CC(OC)C=CC(O)(C)C=CC(=O)OC1C
|
|
| MCULE-1960514602 |
0.60 |
C1(OC)C(C)=CCCC(C)C(OC(=O)C=CC(O)(C)C=C1)C
|
|
| MCULE-5241313012 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-7130271718 |
0.60 |
COC1CCC(OC(C=CC2CC2)=O)CC1
|
|
| MCULE-8464537126 |
0.60 |
CC12C(O)CCCC1=CC(=O)CC2
|
|
| MCULE-9448141357 |
0.60 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MCULE-9588132700 |
0.60 |
CC1OC(C)C(=CC(OC(C)(C)C)=O)C1
|
|
| MCULE-3133855253 |
0.60 |
C1CC2(C)C3(O)C(=O)OCC3=CC(O)C2C(C)(C)C1=O
|
|
| MCULE-2170216646 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
|
|
| MCULE-4475886785 |
0.60 |
O=C1C([C@H](/C=C(\C)/C)O)=C[C@@H](O)[C@@]2([H])[C@@]1(O2)[H]
|
|
| MCULE-3758685184 |
0.60 |
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-2246615794 |
0.60 |
C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
|
|
| MCULE-9839017109 |
0.60 |
[C@]12(C)CCCC[C@]1([H])C(=C)C1[C@@]([H])(OC(C=1C)=O)C2
|
|
| MCULE-1660597451 |
0.60 |
CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
|
|
| MCULE-6913740702 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-5751414985 |
0.60 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MCULE-3173207342 |
0.60 |
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-3754202975 |
0.60 |
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-7932579394 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-9301209033 |
0.60 |
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-1800361961 |
0.60 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-8874070727 |
0.60 |
C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
|
|
| MCULE-3353799719 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
|
|
| MCULE-6308988715 |
0.60 |
[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-2944100707 |
0.60 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-1850569909 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-7965622630 |
0.60 |
C(C#N)(C(OCC)=O)=C1CCOC(C)(CC)C1
|
|
| MCULE-3559356203 |
0.60 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-9344974069 |
0.60 |
C1(C(C(OC)=O)=CC(OC(=C)C(OC)=O)C(C1O)O)O
|
|
| MCULE-3700642394 |
0.60 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@@H]1CCC=2C
|
|
| MCULE-1580462179 |
0.60 |
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-8691643674 |
0.60 |
C1C(OC)C(O)(/C=C/C(=O)OC)C=CC1=O
|
|
| MCULE-8902402936 |
0.60 |
CC1([C@@H]2C(COC(C3C4OC(CC4)C3)=O)=CC[C@H]1C2)C
|
|
| MCULE-8995686119 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1909780355 |
0.60 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)Cl
|
|
| MCULE-2782751278 |
0.60 |
[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-4732002318 |
0.60 |
C1(C)=CCC(/C(/C)=C/CC/C(/C)=C/C2C(=O)C(C)=CC2O)OC1=O
|
|
| MCULE-2060297166 |
0.60 |
C1C(O)C2(C)C3CC4(O)OC(=O)C=C4C(C)C3CCC2C(C)(C)C1
|
|
| MCULE-5185768432 |
0.60 |
C1(C#N)CC(C)(C)CC=1C(=O)OCC
|
|
| MCULE-8353986967 |
0.60 |
O=C1CCC2(C=C(C(C)(C)C)C(C(C(C)(C)C)=C2)=O)O1
|
|
| MCULE-6390957697 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-9035451811 |
0.60 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-9904933861 |
0.60 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCCC12C)(C)C
|
|
| MCULE-2780089397 |
0.60 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-7796574971 |
0.60 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-1739744430 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-4172470592 |
0.60 |
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-1531956184 |
0.60 |
C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-4910865924 |
0.60 |
CC1OCC(=C(C(O)=O)C)C1
|
|
| MCULE-5587277376 |
0.60 |
CCOC(C(C)=C1CC2CC(CC2)C1)=O
|
|
| MCULE-9612148440 |
0.60 |
O=C1C(CC2CC=CCC2)COC1
|
|
| MCULE-7641008425 |
0.60 |
CC1C(CC2CC=CCC2)C(=O)CO1
|
|
| MCULE-6283271359 |
0.60 |
[C@H]1(CCCCCCC(=O)OC)C(=O)C[C@@H](O)[C@@H]1C=CC[C@@](C)(O)CCCC
|
|
| MCULE-2841725041 |
0.60 |
O=C(C1C2C1COC2)CC1CC=CCC1
|
|
| MCULE-5302779679 |
0.60 |
CC1OCC(C(CC2CC=CCC2)=O)C1
|
|
| MCULE-4351701102 |
0.60 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
|
|
| MCULE-7840184850 |
0.60 |
CC1C(C(CC2CC=CCC2)=O)CCO1
|
|
| MCULE-1214797210 |
0.60 |
CC1OCC(=CC(O)=O)C1
|
|
| MCULE-2702437708 |
0.60 |
C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-5937685751 |
0.60 |
[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
|
|
| MCULE-1943680306 |
0.60 |
CC(NC(COC(C1CCCCCC=1)=O)=O)C
|
|
| MCULE-7878989239 |
0.60 |
C1C(=O)OC(/C=C(\C)/CCCC(C)C2OC(C)(C)C(=O)C=2)CC=1C
|
|
| MCULE-3099268900 |
0.60 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-2509173201 |
0.60 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@@H]([C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C)C
|
|
| MCULE-1119558653 |
0.60 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-5137269050 |
0.60 |
C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
|
|
| MCULE-1844098719 |
0.60 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H](C)[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-5494067006 |
0.60 |
C123C(CCC4=CC(=O)C=CC14C)C1CC[C@](O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-6700943071 |
0.60 |
[C@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H]([C@](O)(C(CO)=O)[C@]1(C[C@H]2O3)C)C
|
|
