| MCULE-4663213110 |
1 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-039-338-347 |
1 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-339-124 |
0.95 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
|
|
| MolPort-039-338-352 |
0.95 |
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-527-317 |
0.95 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-007-549-187 |
0.95 |
C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-006-111-401 |
0.95 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-001-970-710 |
0.95 |
C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MCULE-8392481784 |
0.95 |
C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
|
|
| MCULE-3408134534 |
0.95 |
[C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
|
|
| MCULE-1098347199 |
0.95 |
C1(=C/C)/C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC/1=O)[C@@]23[H])C
|
|
| MCULE-9542568510 |
0.95 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@]23[H])C
|
|
| MCULE-2453824717 |
0.95 |
C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
|
|
| MCULE-7322741531 |
0.95 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-035-813-702 |
0.94 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-009-758-408 |
0.94 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-009-653-454 |
0.94 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)C(C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-1506963069 |
0.94 |
C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
|
|
| MCULE-7838408162 |
0.94 |
C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32[H])O1
|
|
| MolPort-044-754-045 |
0.88 |
C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
|
|
| MolPort-009-757-738 |
0.88 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1/C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-9753454229 |
0.76 |
C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-4354077810 |
0.76 |
[C@H]1(O)[C@H]2N(C)[C@H](C[C@@H](OC(=O)/C(=C/C)/C)C2)[C@H]1OC(/C(/C)=C/C)=O
|
|
| MolPort-009-758-385 |
0.76 |
O.C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-349 |
0.76 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-526-408 |
0.76 |
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-692-258 |
0.76 |
C\C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-000-716-048 |
0.76 |
O.C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-396 |
0.76 |
C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C
|
|
| MolPort-039-339-127 |
0.75 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-1907822903 |
0.75 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-003-927-243 |
0.74 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-764-808 |
0.74 |
[2H]C([2H])([2H])[C@@]1(O)[C@H](C)C\C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC1=O)[C@H]23
|
|
| MolPort-039-338-345 |
0.74 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-692-000 |
0.74 |
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-4300429692 |
0.74 |
C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-044-754-048 |
0.74 |
C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-830 |
0.73 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)[C@@H]23
|
|
| MolPort-039-338-348 |
0.73 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-8030008242 |
0.73 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-9982898170 |
0.72 |
C1(=C/C)\CC([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-4830898327 |
0.72 |
C1(=O)C(=CC)CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(C23)O1
|
|
| MolPort-002-167-821 |
0.72 |
C\C=C1/CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
|
|
| MolPort-004-955-368 |
0.72 |
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-516-490 |
0.72 |
C\C=C1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-044-754-047 |
0.71 |
C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-835 |
0.71 |
C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34
|
|
| MCULE-6390090045 |
0.71 |
[C@]1(C)(O)[C@@H](C(C)C)C(=O)O[C@@H]2CCN3CC=C([C@@]32[H])COC(=O)[C@]1(C)O
|
|
| MCULE-5725050795 |
0.71 |
C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
|
|
| MolPort-002-510-536 |
0.71 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCOCC3)[C@@H]2CCC1=C
|
|
| MolPort-000-719-723 |
0.71 |
CC(C)[C@H]1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@H]23
|
|
| MolPort-002-507-203 |
0.71 |
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-046-153-833 |
0.71 |
C[C@H]1C(C)C(O)(CO)C(=O)O[C@@H]2CCN3CC=C(COC(=O)C1(C)O)[C@H]23
|
|
| MolPort-002-511-265 |
0.70 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCOCC4)C(=O)O[C@@H]2[C@@H]13
|
|
| MCULE-8867616609 |
0.70 |
N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
|
|
| MCULE-1675826727 |
0.70 |
C1(C)(O)C(=O)OCC2=CCN3CCC(C32)OC(=O)C(C)C1(C)O
|
|
| MCULE-9022540105 |
0.70 |
[C@@]1(C)(O)C(=O)OCC2=CCN3CC[C@H]([C@]32[H])OC(=O)[C@H](C)[C@@]1(C)O
|
|
| MCULE-2974917831 |
0.70 |
C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
|
|
| MCULE-9168847239 |
0.70 |
CCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@]2([H])N(CC[C@H]2O)C1
|
|
| MolPort-046-765-266 |
0.70 |
C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@@H]23
|
|
| MolPort-019-937-253 |
0.70 |
CC1C(=O)OCC2=CCN3CCC(OC(=O)C(C)(O)C1(C)O)C23
|
|
| MolPort-001-742-605 |
0.70 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-000-157-648 |
0.70 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23
|
|
| MolPort-002-513-541 |
0.70 |
CN(CC1OCCO1)CC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-005-943-127 |
0.70 |
CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
|
|
| MolPort-046-153-854 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
|
|
| MolPort-046-153-860 |
0.70 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
|
|
| MolPort-046-153-856 |
0.70 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
|
|
| MolPort-046-153-857 |
0.70 |
C\C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
|
|
| MolPort-046-153-838 |
0.69 |
CC1C(C)C(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1C)[C@@H]23
|
|
| MolPort-002-520-601 |
0.69 |
CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
|
|
| MolPort-046-153-855 |
0.69 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@]3(O)[C@@H](C)OC(=O)[C@H]3C)[C@H]12
|
|
| MolPort-044-754-046 |
0.69 |
C[C@@H]1OC11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-846 |
0.69 |
CO[C@@H](C)C(O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
|
|
| MolPort-004-964-821 |
0.69 |
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-524-376 |
0.69 |
CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
|
|
| MolPort-046-153-852 |
0.69 |
C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
|
|
| MolPort-046-417-126 |
0.69 |
Cl.CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
|
|
| MolPort-002-529-667 |
0.69 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)[C@@H](CN4CCOCC4)C3CC[C@@]5(C)O)C12
|
|
| MCULE-6829582666 |
0.69 |
Cl[H].C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
|
|
| MCULE-3388784596 |
0.69 |
[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCOCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
|
|
| MCULE-6443026204 |
0.69 |
Cl.[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCOCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
|
|
| MolPort-046-153-832 |
0.69 |
C[C@@H]1O[C@@]11C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-516-445 |
0.69 |
CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-046-153-836 |
0.69 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)OC(C)=O)[C@H]23
|
|
| MolPort-000-831-641 |
0.69 |
Cl.CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)[C@@H](CN4CCOCC4)C3CC[C@@]5(C)O)C12
|
|
| MolPort-046-153-839 |
0.68 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-350 |
0.68 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-515-528 |
0.68 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCCC3)[C@@H]2CCC1=C
|
|
| MolPort-002-511-976 |
0.68 |
CC1CN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-002-521-989 |
0.68 |
CC1CN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC(C)O1
|
|
| MolPort-044-561-717 |
0.68 |
CN(C)C[C@@H]1[C@@H]2CC\C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O
|
|
| MolPort-046-761-491 |
0.68 |
[2H]C([2H])([2H])[C@@]1(O)[C@H](C)C\C(=C\C)C(=O)O[C@@H]2CCN3(=O)CC=C(COC1=O)[C@H]23
|
|
| MolPort-046-153-849 |
0.67 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-046-153-847 |
0.67 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-046-153-841 |
0.67 |
C[C@@H](O)C(O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)(C)O
|
|
| MolPort-046-153-834 |
0.67 |
C\C=C1\C[C@@H](C)[C@H](O)C(=O)OCC2=C3[C@@H](CCN3CC2)OC1=O
|
|
| MCULE-3532125991 |
0.67 |
[C@]12(OC([C@@H](C)C1)=O)[C@@H](OC)CCCN1[C@@]([H])(CC[C@]21[H])[C@@]1([H])OC([C@@H](C)C1)=O
|
|
| MCULE-7547702582 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC(=O)[C@@]2([H])C[C@H]1O
|
|
| MolPort-002-522-526 |
0.67 |
C[C@@H]1CC[C@H]2C(CN3CCOCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
|
|
| MolPort-009-758-282 |
0.67 |
OC(=O)C(O)=O.CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-000-808-796 |
0.67 |
OC(=O)C([O-])=O.CC1CCC=C2C[C@H]3OC(=O)C(C[NH+]4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-020-005-870 |
0.67 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
|
|
| MolPort-046-788-534 |
0.67 |
CC1C(=O)OCC2CC[N+]3([O-])CCC(OC(=O)C(C)(O)C1(C)O)C23
|
|
| MolPort-002-522-466 |
0.67 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-046-153-837 |
0.67 |
C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
|
|
| MolPort-046-153-831 |
0.66 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-840 |
0.66 |
CC1OCC23CC1(O)C(=O)O[C@@H]1CCN4CC=C(COC(=O)C2(C)O3)[C@H]14
|
|
| MolPort-002-516-273 |
0.66 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCC4=CCCCC4)[C@H]3[C@@H]3O[C@]123
|
|
| MolPort-002-532-611 |
0.66 |
COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-531-653 |
0.66 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCC1
|
|
| MolPort-002-509-334 |
0.66 |
CN(CC(O)C(O)C(O)C(O)CO)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-044-722-541 |
0.66 |
CC(C)C(O)(C(C)O)C(=O)OC1CCN2CCCC12
|
|
| MCULE-9482753335 |
0.66 |
C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O
|
|
| MolPort-002-516-478 |
0.66 |
C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)C12)OC(C)=O
|
|
| MolPort-002-509-999 |
0.66 |
CC1CN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-002-513-417 |
0.66 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC2(CC1)OCCO2
|
|
| MolPort-002-513-699 |
0.65 |
CC(C)CNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-523-255 |
0.65 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CNCCCO
|
|
| MolPort-002-513-689 |
0.65 |
COCCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-517-331 |
0.65 |
CCOC(=O)C1CCCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-002-510-187 |
0.65 |
C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
|
|
| MolPort-039-030-048 |
0.65 |
O.O.CCC1OC(=O)C(C)C(CC2CC(C)(OC)C(O)C(C)O2)C(C)C(CC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
|
|
| MolPort-002-510-781 |
0.65 |
C\C1=C/[C@@H](O)C2[C@H](CC(C)=CCC1)OC(=O)C2CN1CCCCC1
|
|
| MCULE-7245299455 |
0.65 |
CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C
|
|
| MCULE-8412061145 |
0.65 |
C12(CCC3C(C(=O)C4C3CC=C3CC(O)CCC43C)=C1C)C(C)C1C(CC(CN1)C)O2
|
|
| MCULE-7097217826 |
0.65 |
C1C[C@]2(C)[C@@]3([H])C(=O)C4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
|
|
| MCULE-4529653783 |
0.65 |
C1(=O)C2[C@@]([H])(CC[C@@]3([C@H](C)[C@]4([H])NC[C@@H](C)C[C@@]4([H])O3)C=2C)[C@@]2([H])[C@@]1([H])[C@@]1(C)CC[C@H](O)CC1=CC2
|
|
| MolPort-002-518-567 |
0.65 |
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCC4=CCCCC4)[C@H]3CC12O
|
|
| MolPort-002-531-494 |
0.65 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCCCC1
|
|
| MolPort-002-513-565 |
0.65 |
CC1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-002-514-906 |
0.65 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCOCC1
|
|
| MolPort-002-522-866 |
0.65 |
CN(CC1OCCO1)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-039-052-510 |
0.65 |
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-001-990-091 |
0.65 |
CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
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|
| MolPort-019-936-979 |
0.65 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3C(=O)C2=C1C
|
|
| MolPort-044-754-091 |
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C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
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|
| MolPort-003-873-278 |
0.65 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
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|
| MolPort-035-765-810 |
0.65 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
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|
| MolPort-009-758-294 |
0.64 |
OC(=O)C(O)=O.CCCCN(CCCC)CCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
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|
| MolPort-000-757-520 |
0.64 |
OC(=O)C([O-])=O.CCCC[NH+](CCCC)CCCNCC1C2CC3=C(C)CCCC3(C)CC2OC1=O
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|
| MolPort-002-527-259 |
0.64 |
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CCC2C3CC=C4C[C@H](CC[C@]4(C)C3C(=O)C2=C1C)O[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO
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|
| MolPort-000-704-086 |
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CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(CCC4(C)C3C(=O)C2=C1C)OC1OC(O)C(O)C(O)C1CO
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|
| MolPort-002-527-731 |
0.64 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)[C@@H](CN4CCCCC4)C3CC[C@@]5(C)O)C12
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|
| MolPort-044-453-918 |
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Cl.CC1(C)C2CC1C(COCC(O)CN1CCC3(CCOC3=O)CC1)=CC2
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|
| MolPort-002-526-806 |
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CC(C)[C@@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
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|
| MolPort-046-153-848 |
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CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
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|
| MolPort-046-153-859 |
0.64 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@H]12
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|
| MolPort-046-153-850 |
0.64 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
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|
| MolPort-046-153-858 |
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CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
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|
| MolPort-046-764-665 |
0.64 |
CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
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|
| MolPort-020-005-846 |
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CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
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|
| MolPort-046-703-115 |
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CC[C@@H]1\C=C(C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
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| MolPort-023-299-479 |
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CCC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)C2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
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| MolPort-035-941-196 |
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)\C=C\C(C)C)C(=O)N(C)C1
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|
| MolPort-002-513-534 |
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COC(CN(C)CC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
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|
| MolPort-002-513-705 |
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COC(CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
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|
| MolPort-039-144-836 |
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[H]C12OC(O)(C(C)CC1OC)C(=O)C(=O)N1CCCCC1C(=O)OC(C(C)C(O)CC(=O)C(CC)\C=C(C)\CC(C)CC2OC)C(\C)=C\C1CCC(O)C(C1)OC
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|
| MCULE-6372392594 |
0.64 |
C1(=O)OC2C(CC3C(C)(CCCC=3C)C2)C1CNCCC[NH+](CCCC)CCCC.C(=O)([O-])C(O)=O
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|
| MCULE-9516391375 |
0.64 |
C12(CCC3C(C(=O)C4C3CC=C3CC(CCC43C)OC3C(CO)C(O)C(C(O)O3)O)=C1C)C(C)C1C(CC(CN1)C)O2
|
|
| MCULE-6268397381 |
0.64 |
[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCCCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
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|
| MCULE-5409780377 |
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CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C.Cl
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|
| MCULE-1499800054 |
0.64 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O
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|
| MCULE-1200527662 |
0.64 |
[C@@]12([H])[C@@H](OC)C[C@@H](C)CC(C)=C[C@@H](CCC)C(=O)C[C@@H]([C@@H](C)[C@@]([H])(/C(/C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)OC(=O)[C@]3([H])CCCCN3C(=O)C(=O)[C@]([C@H](C)C[C@@H]1OC)(O)O2)O
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|
| MCULE-4586615516 |
0.64 |
C1(OC)C(O)CCC(C=C(C)C2C(C)C(O)CC(=O)C(C=C(C)CC(C)CC(OC)C3OC(O)(C(=O)C(=O)N4C([H])(C(=O)O2)CCCC4)C(C)CC3OC)CC)C1
|
|
| MCULE-4891792123 |
0.64 |
[C@]12([H])[C@@H](OC)C[C@@H](C)[C@](O)(C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@H]([C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C)C[C@H](C)C[C@@H]1OC)C)C(C)=C[C@@H]1CC[C@@H](O)[C@H](OC)C1)O2
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|
| MCULE-4056010995 |
0.64 |
O=C1O[C@@H]([C@@H]([C@H](CC(=O)[C@H](CC)C=C(C)C[C@H](C)C[C@H](OC)[C@@]2([H])O[C@@]([C@@H](C[C@@H]2OC)C)(O)C(=O)C(=O)N2CCCC[C@@]12[H])O)C)/C(=C/[C@@H]1CC[C@@H](O)[C@H](OC)C1)/C
|
|
| MCULE-3525826823 |
0.64 |
[C@]12([H])[C@@H](OC)C[C@@H](C)[C@](O)(C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@H]([C@@H]([C@@H](O)CC(=O)[C@H](CC)C=C(C)C[C@H](C)C[C@@H]1OC)C)C(C)=C[C@@H]1CC[C@@H](O)[C@H](OC)C1)O2
|
|
| MCULE-2694017665 |
0.64 |
[C@@]12(CC[C@@]3(C(C(=O)[C@]4(C3([H])CC=C3CC(CCC43C)O[C@H]3O[C@H](CO)[C@H]([C@H](O)[C@H]3O)O)[H])=C1C)[H])[C@H](C)[C@H]1C(C[C@@H](CN1)C)O2
|
|
| MCULE-1093036430 |
0.64 |
C12(CCC3C(C(=O)C4C3CC=C3CC(CCC43C)OC3OC(CO)C(C(O)C3O)O)=C1C)C(C)C1C(CC(CN1)C)O2
|
|
| MCULE-4640009206 |
0.64 |
[C@@]12(CC[C@@]3(C(C(=O)[C@]4([C@@]3([H])CC=C3C[C@H](CC[C@]43C)O[C@@H]3O[C@H](CO)[C@H]([C@H](O)[C@H]3O)O)[H])=C1C)[H])[C@H](C)[C@]1([C@@]([H])(C[C@@H](CN1)C)O2)[H]
|
|
| MCULE-4162384918 |
0.64 |
CCCCCCC(C(OC)=O)(CN1CC2(CCOCC2)OCC1)O
|
|
| MCULE-1990314969 |
0.64 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O.[I-]
|
|
| MCULE-1156496490 |
0.64 |
[C@@](O)(C(C)C)([C@@H](C)OC)C(=O)OCC1=CCN2CC[C@H](O)[C@]21[H]
|
|
| MCULE-9827030814 |
0.64 |
C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
|
|
| MCULE-8318618542 |
0.64 |
C1(O)CCN2C1([H])C(COC(C(C(OC)C)(C(C)C)O)=O)=CC2
|
|
| MCULE-6984575106 |
0.64 |
C(O)(C(C)C)(C(C)OC)C(=O)OCC1=CCN2CCC(O)[C@]21[H]
|
|
| MCULE-8261441210 |
0.64 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC
|
|
| MolPort-046-761-504 |
0.64 |
C[C@H]1C(=O)OC2CCN3(=O)CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-002-517-235 |
0.64 |
CCC(CO)NCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
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|
| MolPort-000-764-527 |
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C[C@@H]1[C@@H]2NCC(C)C[C@H]2O[C@]11CC[C@H]2C3CC=C4CC(CCC4(C)[C@H]3C(=O)C2=C1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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|
| MolPort-000-755-537 |
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C[C@@H]1[C@@H]2NC[C@@H](C)CC2O[C@]11CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)[C@H]3C(=O)C2=C1C)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
|
|
| MolPort-000-761-499 |
0.64 |
C[C@@H]1[C@@H]2NC[C@@H](C)CC2O[C@]11CC[C@H]2C3CC=C4CC(CCC4(C)[C@H]3C(=O)C2=C1C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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|
| MolPort-002-517-284 |
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C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3C(=O)C2=C1C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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|
| MolPort-009-758-573 |
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OC(=O)C(O)=O.CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC(CC1)N1CCCCC1
|
|
| MolPort-002-526-823 |
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C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2C3CC=C4C[C@H](CC[C@]4(C)C3C(=O)C2=C1C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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|
| MolPort-001-532-290 |
0.64 |
CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(CCC4(C)C3C(=O)C2=C1C)OC1OC(CO)C(O)C(O)C1O
|
|
| MolPort-000-804-978 |
0.64 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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0.64 |
OC(=O)C(O)=O.COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
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| MolPort-042-603-453 |
0.64 |
CCCCCCC(O)(CN1CCOC2(CCOCC2)C1)C(=O)OC
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| MolPort-000-698-552 |
0.64 |
COC(C)C(O)(C(C)C)C(=O)OCC1=CCN2CCC(O)[C@@H]12
|
|
| MolPort-009-758-323 |
0.64 |
[I-].CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CC[N+]2(C)CC[C@H](O)[C@@H]12
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|
| MolPort-000-759-355 |
0.64 |
[I-].CC(C)C(O)(C(C)O)C(=O)OCC1=CC[N+]2(C)CCC(O)C12
|
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0.64 |
CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
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|
| MolPort-046-764-481 |
0.64 |
Cl.CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
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|
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0.64 |
CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
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0.64 |
COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
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CC1CCC=C2C[C@H]3OC(=O)C(CN4CCC5(CC4)OCCO5)[C@H]3C(O)[C@]12C
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCC4CO)[C@H]3[C@@H]3O[C@]123
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CC(C)CC1NC(=O)C23OC(=O)\C=C\C(O)C(O)C(C)(O)\C=C\C2(O)C=C(C)C(C)C13
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OC(=O)C([O-])=O.CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CC[NH+](CCOCCO)CC1
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OC(=O)C(O)=O.C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
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C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
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CCCCN(CCCC)CCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
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CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N1CCOCC1
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CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC1
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CC1CCCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)C1
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CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)(C)C1
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CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34C=O)OC(=O)C[N+]3(C)C4CC(CC3C3OC43)OC(=O)C(CO)C3=CC=CC=C3)C1(O)CCC2C1=CC(=O)OC1
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CC1=C2[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O
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CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
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CC(C)COC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCC)C(=O)[C@H]13)C=C2
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CCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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CCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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CC(C)OC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C)C(=O)[C@H]13)C=C2
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0.63 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCC)C(=O)[C@H]13)C=C2
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0.63 |
CCCCOC(=O)C1C2OC3(CN(C(C)CC)C(=O)C13)C=C2
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0.63 |
CCCOC(=O)C1C2OC3(CN(CC4CCCO4)C(=O)C13)C=C2
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CC(=O)NC1C(O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C(COC2OC(CO)C(O)C(O)C2O)OC1OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)C(O)C(O)C4(CCC32C)C(=O)OC2OC(COC(=O)C(\C)=C\CCC(C)(O)C=C)C(OC3OC(CO)C(OC(C)=O)C(O)C3O)C(O)C2OC2OCC(OC3OCC(O)(CO)C3O)C(O)C2O)C1(C)C
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CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)CC)C(=O)[C@H]13)C=C2
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0.63 |
CCCCOC(=O)[C@@H]1[C@H]2OC3(CN(CCCC)C(=O)[C@H]13)C=C2
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CCCCOC(=O)C1C2OC3(CN(C(C)C)C(=O)C13)C=C2
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CCCCOC(=O)[C@@H]1[C@H]2OC3(CN(CC(C)C)C(=O)[C@H]13)C=C2
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0.63 |
CC(C)OC(=O)C1C2OC3(CN(CC4CCCO4)C(=O)C13)C=C2
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CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
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0.63 |
CCOC(=O)C1C2OC3(CN(CC4CCCO4)C(=O)C13)C=C2
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C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
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0.63 |
[I-].COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC4)[C@H]3[C@@H]3O[C@]123
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0.63 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3[C@@H]3O[C@]123
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0.63 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
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|
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0.63 |
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@@]4(C)[C@@]([H])(CC[C@]4([H])[C@@H](CCC(N[C@@H]4[C@@H](O)[C@H](O)[C@@H](CO)OC4O)=O)C)[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](OC(=O)C=C)C1
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C1(C(C)=CC2(C3(OC(=O)C=CC(O)C(C(C)(O)C=C2)O)C1C(CC(C)C)NC3=O)O)C
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| MCULE-8608484168 |
0.63 |
C(=O)([O-])C(O)=O.C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
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0.63 |
C1(=O)OC2C(CC3C(C)(CCCC=3C)C2)C1CNCCC[NH+](CCCC)CCCC
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0.63 |
[C@@H](OC(=O)C)([C@@H](OC(=O)C)C(=O)N1CCOCC1)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C
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0.63 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CC(C)C)C2=O
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|
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0.63 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(CC1CCCO1)C2=O
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|
| MCULE-9178935846 |
0.63 |
C12C(C(OCCC)=O)C3OC1(C=C3)CN(CC1CCCO1)C2=O
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|
| MCULE-6918503363 |
0.63 |
C12C(=O)N(CC31C=CC(O3)C2C(=O)OC(C)C)CC1CCCO1
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|
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0.63 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCC)C2=O
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|
| MCULE-3102462677 |
0.63 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)CC)C2=O
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|
| MCULE-4999976063 |
0.63 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)C)C2=O
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|
| MCULE-3339988312 |
0.63 |
[I-].C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
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| MCULE-7953027857 |
0.63 |
C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
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|
| MCULE-2914853605 |
0.63 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC(C)C1CCCO1
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|
| MCULE-6726992714 |
0.63 |
[C@@]12(O)C(C(=O)N3CCCC[C@H]3C(O[C@H](C(=C[C@H]3C[C@@H](OC)[C@H](O)CC3)C)[C@H](C)[C@H](O)CC(=O)[C@H](CC=C)C=C(C)C[C@H](C)C[C@H](OC)[C@@H](O1)[C@@H](OC)C[C@H]2C)=O)=O
|
|
| MCULE-3626956925 |
0.63 |
C12(O)C(C)CC(C(C(OC)CC(C)CC(C)=CC(CC=C)C(CC(O)C(C)C(C(C)=CC3CCC(C(OC)C3)O)OC(=O)C3CCCCN3C(=O)C1=O)=O)O2)OC
|
|
| MCULE-8639162647 |
0.63 |
[C@@]12(O)[C@H](C)C[C@@H]([C@@H]([C@@H](OC)C[C@@H](C)CC(C)=C[C@@H](CC=C)C(C[C@H](O)[C@@H](C)[C@@H](C(C)=C[C@@H]3CC[C@H]([C@H](OC)C3)O)OC(=O)[C@@H]3CCCCN3C(=O)C1=O)=O)O2)OC
|
|
| MCULE-4171179871 |
0.63 |
[C@@]12([H])[C@@H](OC)C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)[C@@]([H])(C(C)=C[C@@H]3CC[C@@H](O)[C@H](OC)C3)OC(=O)[C@]3([H])CCCCN3C(=O)C(=O)[C@]([C@H](C)C[C@@H]1OC)(O)O2
|
|
| MCULE-5232356001 |
0.63 |
O1[C@H](/C(/C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC(=O)[C@H](CC=C)C=C(C)C[C@H](C)C[C@H](OC)[C@@]2([H])O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@@]2([H])C1=O
|
|
| MCULE-1137152976 |
0.63 |
C1(CN2CCCCC2)C2CCC=C(C)CCC(C)=CC2OC1=O
|
|
| MCULE-5104591151 |
0.63 |
C(OC(C)=O)(C(OC(C)=O)C(=O)NCC1CCCO1)C(OC(C)=O)C(OC(C)=O)C(=O)NCC1CCCO1
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|
| MCULE-1656360650 |
0.63 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
|
|
| MCULE-4232648029 |
0.63 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCOC)C2=O
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|
| MCULE-6011032495 |
0.63 |
C12C(C(OCCCCC)=O)C3C=CC1(CN(CCCOC(C)C)C2=O)O3
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|
| MCULE-6808085592 |
0.63 |
C12C(C(OCCCCC)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
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|
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CC(NC(=O)C1C2OC(C=C2)C1C(O)=O)C1CCCO1
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O.COC1CC(CCC1O)\C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC2C)OC)C(CC(C)C\C(C)=C\C(CC=C)C(=O)CC(O)C1C)OC
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O.CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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CO[C@@H]1CC[C@H](C[C@H]1OC)\C=C(/C)[C@H]1OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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|
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O.CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)C2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C/[C@@H](CC=C)C(=O)CC(O)[C@H]1C)OC
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COC1CCC(CC1OC)\C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC2C)OC)C(CC(C)C\C(C)=C\C(CC=C)C(=O)CC(O)C1C)OC
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CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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O.CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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[2H][13C]([2H])=CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@@H](O)[C@@H](C1)OC
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COC1CC(CCC1O)\C=C(/C)C1OC(=O)C2CCCCN2C(=O)C(=O)C2(O)OC(C(CC2C)OC)C(CC(C)C\C(C)=C\C(CC=C)C(=O)CC(O)C1C)OC
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CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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CO[C@@H]1C[C@@H](CC[C@H]1O)C=C(C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)C(=O)[C@]2(O)O[C@@H]([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)CC(C)=C[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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CCCCOC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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CC(=O)OC(C(OC(C)=O)C(OC(C)=O)C(=O)NCC1CCCO1)C(OC(C)=O)C(=O)NCC1CCCO1
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CCCCCOC(=O)C1C2OC3(CN(CCCOC(C)C)C(=O)C13)C=C2
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CCCCCOC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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C\C1=C/CCC2C(OC(=O)C2CN2CCCCC2)\C=C(C)\CC1
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CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC(CC1)N1CCCCC1
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CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
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0.63 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
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0.62 |
CCC(C)N1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OC(C)C
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|
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0.62 |
COC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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CC(C)CN1CC23OC(C=C2)C(C3C1=O)C(=O)OC(C)C
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| MolPort-002-342-440 |
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CCOC(=O)C1C2OC3(CN(CC(C)C)C(=O)C13)C=C2
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|
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CC(C)CN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OC(C)C
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|
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC5(CC4)OCCO5)[C@H]3[C@@H]3O[C@]123
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CCCCN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OCC
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CC(C)COC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
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CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3CC12O
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CCOC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
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CCCCN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OCC(C)C
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CCCCN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OC(C)C
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CCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)CC)C(=O)[C@H]13)C=C2
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CCOC(=O)C1C2OC3(CN(C(C)C)C(=O)C13)C=C2
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CCCCN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OCCC
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CC(C)COC(=O)[C@H]1[C@@H]2OC3(CN(CC(C)C)C(=O)[C@@H]13)C=C2
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CCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)CC)C(=O)[C@H]13)C=C2
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CC(=O)OC(C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCCC1)C(OC(C)=O)C(=O)NC1CCCCCC1
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CCC(C)N1CC23OC(C=C2)C(C3C1=O)C(=O)OC(C)C
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COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
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COC(=O)C1[C@@H]2OC3(CN(CC4CCCO4)C(=O)[C@@H]13)C=C2
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CCCCN1CC23O[C@H](C=C2)[C@@H]([C@@H]3C1=O)C(=O)OCC(C)C
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CCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C)C(=O)[C@H]13)C=C2
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CCOC(=O)C1[C@@H]2OC3(CN(C(C)CC)C(=O)[C@@H]13)C=C2
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CCOC(=O)C1[C@H]2OC3(CN(C(C)C)C(=O)[C@H]13)C=C2
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CCCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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CCCC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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C[C@@H]1O[C@@]2(O)[C@H](CO)N(C)C(=O)[C@@]22[C@@H]1[C@@H]1C=C[C@@H]3C[C@H](C)CC[C@H]3[C@]1(C)C2=O
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CC(C)CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
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Cl.OC[C@]12COC(=O)[C@H]1CCN2
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCCO)[C@H]3[C@@H]3O[C@]123
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CCOC(=O)CCNC(=O)C1OC(OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)NCCC(=O)OCC)C2(C)C)C(OC2OC(C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(=O)NCCC(=O)OCC)C(OC(C)=O)C1OC(C)=O
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CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12
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OC(=O)C1C2OC(C=C2)C1C(=O)NCC1CCCO1
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COC(=O)C1CC(O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
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COC(=O)C1CC(O)CN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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[Br-].C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C=O)OC(=O)C[N+]3(C)C4CC(CC3C3OC43)OC(=O)C(CO)C3=CC=CC=C3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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CO[C@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]1OC(=O)[C@@H]2CCCCN2C(=O)[C@]2(O)O[C@@H]([C@@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]1C)OC
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[Br-].[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCCC
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C12C(C(OC)=O)C3OC1(C=C3)CN(C(C)C)C2=O
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C12C(C(OC)=O)C3OC1(C=C3)CN(CC(C)C)C2=O
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| MCULE-2091830536 |
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C12C(C(OC)=O)C3OC1(C=C3)CN(C(C)CC)C2=O
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C(OC(C)=O)(C(OC(C)=O)C(=O)NC1CCCCC1)C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCC1
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[N+]1(C)(CC(=O)OC2CCC3(C([H])(CCC4C3CCC3(C4(O)CCC3C3COC(=O)C=3)C)C2)C=O)C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1
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C12C(C3OC1(C=C3)CN(C(C)CC)C2=O)C(=O)OC(C)C
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[C@@]12([H])C(C(OCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCC)C2=O
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C12C(=O)N(CC31C=CC(O3)C2C(=O)OC(C)C)CC(C)C
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[C@]12([H])C(=O)N(C[C@@]31C=C[C@@H](O3)C2C(=O)OC(C)C)CCCC
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C12C(C(OCC)=O)C3OC1(C=C3)CN(CC(C)C)C2=O
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C12C(C(OCC)=O)C3OC1(C=C3)CN(C(C)C)C2=O
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C12C(C(OC)=O)C3OC1(C=C3)CN(CC1CCCO1)C2=O
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C(OC(C)=O)(C(OC(C)=O)C(=O)NC1CCCCCC1)C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCCC1
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| MCULE-4307048516 |
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[C@]123C[C@@]4([C@@](O)(C[C@@H]([C@]5(O)[C@]([C@]6([H])CC[C@]([H])(C)CN6C[C@]54[H])(C)O)O)[C@]1([H])CC[C@@]1([C@](O)([C@H](CC[C@]21C)OC(=O)C(C)=CC)O3)[H])O
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|
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[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCC
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|
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[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCCC
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|
| MCULE-2827669869 |
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C1(C(=O)NCC2CCCO2)C2C=CC(O2)C1C(O)=O
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|
| MCULE-1755716955 |
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[N+]1(C)(CC(=O)OC2CCC3(C([H])(CCC4C3CCC3(C4(O)CCC3C3COC(=O)C=3)C)C2)C=O)C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1.[Br-]
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|
| MCULE-6154090308 |
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C12C(C(OCC)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
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|
| MCULE-1547133759 |
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C12C(C(=O)OCC(C)C)C3OC1(C=C3)CN(C1CCCC1)C2=O
|
|
| MCULE-2357389019 |
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C12C(C(OCCC)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
|
|
| MCULE-4062046434 |
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C12C(C(OCC)=O)C3OC1(C=C3)CN(C1CCCC1)C2=O
|
|
| MCULE-5742217999 |
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CCOC1C2(OCCC2)C(NC(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-5247665036 |
0.62 |
C12C(C(OCC)=O)C3C=CC1(CN(CCCOC(C)C)C2=O)O3
|
|
| MCULE-7104497592 |
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C12C(C(OCCC)=O)C3OC1(C=C3)CN(C1CCCC1)C2=O
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|
| MCULE-1848968904 |
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C12C(C3OC1(C=C3)CN(C1CCCCC1)C2=O)C(=O)OC(C)C
|
|
| MCULE-1731152939 |
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C12C(C(=O)OCC(C)C)C3OC1(C=C3)CN(C1CCCCC1)C2=O
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|
| MCULE-4548104685 |
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C123C=CC(C(C(O)=O)C1C(N(CCCOC)C2CC=C)=O)O3
|
|
| MCULE-9907877328 |
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C12C(C(OCC)=O)C3OC1(C=C3)CN(CCCOC)C2=O
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|
| MCULE-4901905352 |
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C12C(C3OC1(C=C3)CN(C1CCCC1)C2=O)C(=O)OC(C)C
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|
| MCULE-3503168841 |
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[C@@H]12[C@@H](OC)C[C@@H](C)CC(C)=C[C@@H](CC)C(=O)C[C@H](O)[C@@H](C)[C@@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]([C@H](C)C[C@@H]1OC)(O)O2
|
|
| MCULE-4872997819 |
0.62 |
O=C1[C@]2([C@@H](C[C@@H]([C@]([C@H](C[C@H](CC(=C[C@H](C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)/C)OC(=O)[C@@]3([H])N(CCCC3)C1=O)CC)C)C)OC)([H])O2)OC)C)O
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|
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0.62 |
[C@@H]1(C[C@@H](OC)[C@H](CC1)Cl)/C=C(\C)/[C@@H]1[C@@H]([C@H](CC(=O)[C@H](CC)C=C(C)C[C@H](C)C[C@H](OC)[C@]2([H])[C@@H](OC)C[C@@H](C)[C@](O)(C(=O)C(N3CCCC[C@@]3([H])C(O1)=O)=O)O2)O)C
|
|
| MCULE-7186612461 |
0.62 |
[I-].[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCC
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|
| MCULE-9232857952 |
0.62 |
[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3[C@@]21OC(C3C[N+]1(CCCCC1)C)=O
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CCOC1CC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C11CCCO1
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CCOC(=O)C1C2OC3(CN(CCCOC)C(=O)C13)C=C2
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|
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CCOC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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CCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
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CC(C)COC(=O)C1C2OC3(CN(C4CCCC4)C(=O)C13)C=C2
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CC(C)COC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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CCCOC(=O)C1C2OC3(CN(C4CCCC4)C(=O)C13)C=C2
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CC(C)OC(=O)C1C2OC3(CN(C4CCCC4)C(=O)C13)C=C2
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CC(C)OC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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CCOC(=O)C1C2OC3(CN(C4CCCC4)C(=O)C13)C=C2
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COC(CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
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COC(CN(C)CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
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CCCOC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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CC(C)OC(=O)C1[C@@H]2O[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)C=C2
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CCCOC(=O)[C@@H]1[C@H]2OC3(CN(C4CCCC4)C(=O)[C@H]13)C=C2
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CC(C)COC(=O)[C@H]1[C@@H]2OC3(CN(C4CCCCC4)C(=O)[C@@H]13)C=C2
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OC(=O)C(O)=O.CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCN(CC1)C1CCCCC1
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CCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
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CC(C)COC(=O)C1[C@@H]2O[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)C=C2
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CCCOC(=O)[C@H]1[C@@H]2OC3(CN(CCCOC)C(=O)[C@@H]13)C=C2
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CCOC(=O)C1[C@@H]2O[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)C=C2
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CCCOC(=O)C1[C@@H]2O[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)C=C2
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CCOC(=O)[C@H]1[C@@H]2OC3(CN(CCCOC)C(=O)[C@@H]13)C=C2
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CCOC(=O)C1C2OC3(CN(CCCOC(C)C)C(=O)C13)C=C2
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COCCCN1C(CC=C)C23OC(C=C2)C(C3C1=O)C(O)=O
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CCOC(=O)C1[C@@H]2OC3(CN(C4CCCC4)C(=O)[C@@H]13)C=C2
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CC1CN(CC2[C@H]3C=C4[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
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CC(CO)(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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CC1CN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
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|
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CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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CC[C@@H]1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC
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| MolPort-046-684-033 |
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CC[C@@H]1\C=C(C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC
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CCC1\C=C(C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(\C)=C\[C@@H]1CC[C@H](Cl)[C@@H](C1)OC
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CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(C)=C[C@@H]1CC[C@H](Cl)[C@@H](C1)OC
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C[C@@H]1CC[C@H]2C(CN3CCCC(C)(C)C3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
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COC(=O)C1C2OC3(CN(C(C)C)C(=O)C13)C=C2
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CCC(C)N1CC23OC(C=C2)C(C3C1=O)C(=O)OC
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COC(=O)C1C2OC3(CN(CC(C)C)C(=O)C13)C=C2
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COC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
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CCC(C)N1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OC
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[Br-].CCCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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CC1CCN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC1
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[I-].CCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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CC1CCCN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)C1
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CC1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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CC1CCCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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CC(=O)OC(C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCC1)C(OC(C)=O)C(=O)NC1CCCCC1
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CC1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCCC4)[C@H]3[C@@H]3O[C@]123
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CC1CCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@H]3C3OC123
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CC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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COCCCN1CC23OC(C=C2)C(C3C1=O)C(=O)OC
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COCCCN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(=O)OC
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COC(=O)C1[C@@H]2O[C@@]3(CN(C4CCCC4)C(=O)[C@H]13)C=C2
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CN1C2CC(OC(C)=O)C1CC(=O)C2
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C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
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COC(=O)C1C2OC3(CN(CCCOC(C)C)C(=O)C13)C=C2
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COC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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[I-].C[C@@H]1CCC2C(C[N+]3(C)CCCCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CCC12
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(C)CC4OCCO4)[C@H]3C=C12
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CCOC(=O)C1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
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[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CC
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C12C(C(OC)=O)C3C=CC1(CN(CCCOC(C)C)C2=O)O3
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| MCULE-9614421624 |
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C12C(C(OC)=O)C3OC1(C=C3)CN(CCCOC)C2=O
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| MCULE-3575177775 |
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[C@@]12([H])C(C(OC)=O)[C@@H]3O[C@]1(C=C3)CN(C1CCCC1)C2=O
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|
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| MCULE-9084382212 |
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C12C(C(O)=O)C3OC1(C=C3)CN(CCOC)C2=O
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| MCULE-3285725071 |
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C12C(C(O)=O)C3OC1(C=C3)CN(CC1C(C)CC(=CC1C)C)C2=O
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|
| MCULE-7543272740 |
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C12C(C(O)=O)C3OC1(C=C3)CN(CC1CCCO1)C2=O
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[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CC.[I-]
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|
| MCULE-2217327489 |
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C1(C=C)=C[C@@H]([C@@](OC(=O)C)(C)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23[O-])C
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|
| MCULE-8073046482 |
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C([C@@H](CCCCCCCCCCCCCCCCCCCCCC)OC(=O)C)(=O)N[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)CCCCCCCCCCCCCC)COC(C)=O
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| MCULE-4245203183 |
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CCCCCCC(C(OC)=O)(CN1CC(CC(OC)=O)OCC1)O
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COCCN1CC23O[C@H](C=C2)[C@@H]([C@@H]3C1=O)C(O)=O
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OC(=O)C1[C@@H]2OC3(CN(CC4CCCO4)C(=O)[C@@H]13)C=C2
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CC1CC(C)=CC(C)C1CN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(O)=O
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OC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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CC1CC(C)=CC(C)C1CN1CC23OC(C=C2)C(C3C1=O)C(O)=O
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OC(=O)C1C2OC3(CN(CC4CCCO4)C(=O)C13)C=C2
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CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCO)CC4)[C@H]3C(O)[C@]12C
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[I-].CC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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[I-].CC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
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CN(CC1OCCO1)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
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CN1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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CCOC(=O)C1=CC(OC(CC)CC)C2NC2C1
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CC1CCC=C2C[C@H]3OC(=O)C(CN4CCC(CC4)N4CCCCC4)[C@H]3C(O)[C@]12C
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C[C@H]1\C=C(C=C)/C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@]1(C)OC(C)=O)[C@]23[O-]
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CCCCCCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)N[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCC)OC(C)=O
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CCCCCCC(O)(CN1CCOC(CC(=O)OC)C1)C(=O)OC
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CCOC(=O)C1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)C[C@H](C4[C@H](O)C[C@@]32C)C(O)=O)C1(C)C
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CC(C)N1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(O)=O
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CCC(C)N1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(O)=O
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CCCCN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(O)=O
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OC(=O)C1C2OC(C=C2)C1C(=O)N1CCOCC1
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CC(C)CN1CC23OC(C=C2)C(C3C1=O)C(O)=O
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CC(CCC=C(C)C)N1CC23OC(C=C2)C(C3C1=O)C(O)=O
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CCCN1CC23O[C@H](C=C2)[C@@H]([C@@H]3C1=O)C(O)=O
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CCCN1CC23OC(C=C2)C(C3C1=O)C(O)=O
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CCC(C)N1CC23OC(C=C2)C(C3C1=O)C(O)=O
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CC(CCC=C(C)C)N1CC23OC(C=C2)C([C@@H]3C1=O)C(O)=O
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CC(CCC=C(C)C)N1CC23O[C@H](C=C2)C([C@@H]3C1=O)C(O)=O
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CC(C)CN1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(O)=O
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CCC(C)N1CC23O[C@H](C=C2)C([C@@H]3C1=O)C(O)=O
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CC(C)N1CC23OC(C=C2)C(C3C1=O)C(O)=O
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CCN1CC23O[C@H](C=C2)[C@@H]([C@@H]3C1=O)C(O)=O
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CCOC(=O)C1=CC(OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)NCC1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
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CC(C)CC1NC(=O)C23OC(=O)\C=C\C(O)C(O)CC\C(C)=C\C2C=C(C)C(C)C13
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CCOC(=O)CN1CC23O[C@@H](C=C2)[C@H]([C@H]3C1=O)C(O)=O
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O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)N1CCOCC11CCOC1
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CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@H]2O1
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CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(C)C)[C@@H](O)[C@H]2O1
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COC(=O)C1CC2C(CCC(C)N2C(=O)C2CCC=CC2)O1
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CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1
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CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1
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CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1
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0.60 |
CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CCCC1
|
|
| MolPort-044-459-851 |
0.60 |
O=C1OC(CN2CCOCC3(CCCC3)C2)CC11CCC1
|
|
| MolPort-002-527-707 |
0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
|
|
| MolPort-002-529-551 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
|
|
| MolPort-046-153-864 |
0.60 |
COC(=O)[C@](O)(CC(C)C)CC(=O)OC[C@@H]1CCN2CCC[C@@H]12
|
|
| MolPort-006-668-159 |
0.60 |
CC(C)CC1NC(=O)C23OC(=O)\C=C\C(O)CCC\C(C)=C\C2C=C(C)C(C)C13
|
|
| MolPort-019-699-746 |
0.60 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
|
|
| MolPort-002-532-538 |
0.60 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
|
|
| MolPort-007-550-086 |
0.60 |
CC(C)CCCC(C)C1CCC2C3C=CC4CC(CCC4(C)C3CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
|
|
| MolPort-019-699-719 |
0.60 |
C[C@]12CC(O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
|
|
| MCULE-2540320145 |
0.60 |
[C@@]12(C)CCC3C(C)(C)[C@H](CC[C@]3(C)C1CC=C1C3CC(C[C@@H](C(=O)O)C3[C@H](O)C[C@@]21C)(C)C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1NC(=O)C)CO
|
|
| MCULE-6160147856 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCOCC1
|
|
| MCULE-9470566112 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C(C)C)C2=O
|
|
| MCULE-2790461253 |
0.60 |
[C@H]12[C@@H](C(O)=O)[C@@H]3OC1(C=C3)CN(CC)C2=O
|
|
| MCULE-6850233260 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC)C2=O
|
|
| MCULE-7911545112 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC(C)C)C2=O
|
|
| MCULE-1470567929 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CCCC)C2=O
|
|
| MCULE-9369894012 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CCC)C2=O
|
|
| MCULE-8488054815 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C(C)CC)C2=O
|
|
| MCULE-9196423222 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C(C)CC/C=C(\C)/C)C2=O
|
|
| MCULE-6963124437 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C(C)(C)C)C2=O
|
|
| MCULE-9259684553 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C1CC1)C2=O
|
|
| MCULE-2162689898 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC(OCC)=O)C2=O
|
|
| MCULE-4486647355 |
0.60 |
C1(C(C)=CC2C=C(C)CCC(O)C(O)C=CC(OC32C1C(CC(C)C)NC3=O)=O)C
|
|
| MCULE-5424032036 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCCC1
|
|
| MCULE-9206341189 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCC1
|
|
| MCULE-1155312243 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCOCC1
|
|
| MCULE-3821901836 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCCCC1
|
|
| MCULE-6965155718 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCC)[C@@H]1O)C(C)C
|
|
| MCULE-9417639621 |
0.60 |
COC(C1OC2CCC(N(C(C3CC=CCC3)=O)C2C1)C)=O
|
|
| MCULE-5948872279 |
0.60 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2C3(COCC3)COCC2)=O)C1
|
|
| MCULE-8964645456 |
0.60 |
[C@@]123OC(=O)C=CC(O)CCCC(CC=C[C@@]1([H])C1O[C@]1(C)[C@@H](C)[C@@]2([H])[C@@H](NC3=O)CC1C=CC=CC=1)C
|
|
| MCULE-7287731652 |
0.60 |
C123OC(=O)C=CC(CCCC(C)=CC1C=C(C(C)C2C(NC3=O)CC(C)C)C)O
|
|
| MCULE-7151388477 |
0.60 |
C1(NC(C)=O)C(OC2CCC3(C(C=CC4C3CCC3(C4CCC3C(C)CCCC(C)C)C)C2)C)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O
|
|
| MCULE-9663035334 |
0.60 |
C1(CN2CCCC2)C2CC3C(CCCC3(CC2OC1=O)C)=C
|
|
| MCULE-1784214054 |
0.60 |
O=C1C2(CCC2)CC(CN2CC3(CCCC3)COCC2)O1
|
|
| MCULE-2343995549 |
0.60 |
C12C(C(O)=O)C3C=CC1(CN(CCCOC)C2=O)O3
|
|
| MCULE-5536326896 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C1CCCC1)C2=O
|
|
| MCULE-5447632378 |
0.60 |
C12C(C(O)=O)C3C=CC1(CN(CCCOC(C)C)C2=O)O3
|
|
| MCULE-5013097414 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
|
|
| MCULE-3363900973 |
0.60 |
O=C(C1C(C(N2CCOCC2)=O)CC=CC1)OCC1CC(=O)NC1
|
|
| MCULE-6028934666 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C(C)C
|
|
| MCULE-4223904978 |
0.60 |
N(C[C@H]1O[C@@H]2C[C@@H](O[C@@H]2[C@@H]1O)CC(=O)NCCC)C1CCOCC1
|
|
| MCULE-4373407431 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCC)[C@@H]1O)C1CCCC1
|
|
| MCULE-4534345271 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCC)[C@@H]1O)C1CCC1
|
|
| MCULE-5463096820 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC2CC2)[C@@H]1O)C1CCCC1
|
|
| MCULE-4521770288 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC2CC2)[C@@H]1O)C1CCC1
|
|
| MCULE-8571499687 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC2CC2)[C@@H]1O)C1CCOCC1
|
|
| MCULE-8422603639 |
0.60 |
O=C1C2(CC2)CC(CN2CC3(OCCO3)CC2)O1
|
|
| MCULE-9203563366 |
0.60 |
C123CNC(=O)C1C(C(C=C2)O3)C(O)=O
|
|
| MCULE-8156050327 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C)C2=O
|
|
| MCULE-8486413206 |
0.60 |
[C@@H]12[C@H](C(O)=O)[C@@H]3O[C@]1(C=C3)CN(C)C2=O
|
|
| MCULE-3746914602 |
0.60 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)N1CC(CC1C(O)=O)O)=O
|
|
