| MCULE-1098347199 |
0.78 |
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 |
0.78 |
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 |
0.78 |
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 |
0.78 |
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-8392481784 |
0.78 |
C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
|
|
| MCULE-3408134534 |
0.78 |
[C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
|
|
| MCULE-5821370064 |
0.78 |
C1(=C/C)/C[C@@H]([C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC/1=O)C2=O)C
|
|
| MCULE-3899060736 |
0.78 |
C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC\1=O)C2=O)C
|
|
| MolPort-039-338-352 |
0.78 |
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-339-124 |
0.78 |
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 |
0.78 |
C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-007-549-187 |
0.78 |
C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-006-111-401 |
0.78 |
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 |
0.78 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-826 |
0.78 |
C\C=C1/C[C@H](C)[C@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-046-153-829 |
0.78 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-035-813-702 |
0.77 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-009-653-454 |
0.77 |
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-009-758-408 |
0.77 |
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 |
0.77 |
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 |
0.77 |
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-046-153-828 |
0.75 |
C[C@H]1C\C(=C/CO)C(=O)O[C@@H]2CCN(C)C\C=C(\COC(=O)[C@]1(C)O)C2=O
|
|
| MCULE-5436375868 |
0.75 |
C1(=C/CO)/C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC/1=O)C2=O)C
|
|
| MCULE-5871527023 |
0.75 |
C1(=C/COC(=O)C)/C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC/1=O)C2=O)C
|
|
| MCULE-4663213110 |
0.75 |
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-046-153-827 |
0.75 |
C[C@H]1C\C(=C/COC(C)=O)C(=O)O[C@@H]2CCN(C)C\C=C(\COC(=O)[C@]1(C)O)C2=O
|
|
| MolPort-039-338-347 |
0.75 |
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-044-754-045 |
0.73 |
C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
|
|
| MCULE-2428319267 |
0.73 |
C1(CC)[C@H](O)[C@@H]([C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O)C
|
|
| MolPort-046-153-825 |
0.73 |
CCC1[C@H](O)[C@H](C)[C@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-009-757-738 |
0.71 |
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
|
|
| MolPort-007-980-939 |
0.70 |
CC1O[C@@]11C[C@@H](C)C(C)(O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O
|
|
| MolPort-002-527-385 |
0.70 |
C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MCULE-3399706571 |
0.70 |
[C@]12(C[C@@H](C)[C@@](C)(O)C(=O)OCC3=CCN(C)CC[C@@H](OC1=O)C3=O)[C@](O2)([H])C
|
|
| MCULE-1171986869 |
0.70 |
[C@]12(C[C@@H](C)[C@@](C)(O)C(=O)OCC3=CCN(C)CC[C@@H](OC1=O)C3=O)[C@](O2)([H])C
|
|
| MCULE-2851005991 |
0.70 |
[C@@]1(O)([C@H](C)O)C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
|
|
| MCULE-9293625898 |
0.70 |
[C@@]1(O)([C@@H](C)O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
|
|
| MCULE-6178030313 |
0.70 |
C1(O)(C(C)O)CC([H])(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O
|
|
| MolPort-007-549-185 |
0.70 |
CC(O)[C@@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CCC(OC1=O)C2=O
|
|
| MolPort-002-526-132 |
0.70 |
C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-002-527-017 |
0.70 |
C[C@H](O)[C@@]1(O)C[C@H](C)[C@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-002-518-567 |
0.68 |
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCC4=CCCCC4)[C@H]3CC12O
|
|
| MolPort-002-523-255 |
0.67 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CNCCCO
|
|
| MolPort-002-513-699 |
0.67 |
CC(C)CNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-513-689 |
0.67 |
COCCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-513-468 |
0.67 |
C\C1=C/CCC2C(OC(=O)C2CN2CCCCC2)\C=C(C)\CC1
|
|
| MolPort-002-513-417 |
0.67 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC2(CC1)OCCO2
|
|
| MCULE-1137152976 |
0.67 |
C1(CN2CCCCC2)C2CCC=C(C)CCC(C)=CC2OC1=O
|
|
| MolPort-002-517-331 |
0.67 |
CCOC(=O)C1CCCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-002-531-494 |
0.67 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCCCC1
|
|
| MolPort-002-513-565 |
0.67 |
CC1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-002-531-653 |
0.67 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCC1
|
|
| MolPort-002-511-800 |
0.66 |
CC1=C2[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@@H]3CC[C@@]2(C)C=CC1=O
|
|
| MolPort-002-511-895 |
0.66 |
CC1CCCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)C1
|
|
| MolPort-002-511-941 |
0.66 |
CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC1
|
|
| MolPort-002-511-837 |
0.66 |
CC1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)(C)C1
|
|
| MolPort-000-757-520 |
0.66 |
OC(=O)C([O-])=O.CCCC[NH+](CCCC)CCCNCC1C2CC3=C(C)CCCC3(C)CC2OC1=O
|
|
| MolPort-009-758-294 |
0.66 |
OC(=O)C(O)=O.CCCCN(CCCC)CCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MCULE-7245299455 |
0.66 |
CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C
|
|
| MCULE-6372392594 |
0.66 |
C1(=O)OC2C(CC3C(C)(CCCC=3C)C2)C1CNCCC[NH+](CCCC)CCCC.C(=O)([O-])C(O)=O
|
|
| MCULE-5409780377 |
0.66 |
CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C.Cl
|
|
| MolPort-044-453-918 |
0.66 |
Cl.CC1(C)C2CC1C(COCC(O)CN1CCC3(CCOC3=O)CC1)=CC2
|
|
| MolPort-009-758-573 |
0.65 |
OC(=O)C(O)=O.CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC(CC1)N1CCCCC1
|
|
| MCULE-7468350297 |
0.65 |
C1(=C(C)C(OC21CCCCC2)=O)C(=O)N1CCC(CC1)C(OCC)=O
|
|
| MCULE-9080971826 |
0.65 |
[C@@]12([H])CCCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-6606569565 |
0.65 |
C1(=O)OC2C(CC3C(C)(CCCC=3C)C2)C1CNCCC[NH+](CCCC)CCCC
|
|
| MolPort-046-153-865 |
0.65 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12
|
|
| MolPort-002-523-025 |
0.65 |
CCCCN(CCCC)CCCNCC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-532-364 |
0.64 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCC(CC1)N1CCCCC1
|
|
| MolPort-046-423-339 |
0.64 |
[Cl-].CC[NH+]1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34C5CC(=O)[C@@H]6C[C@]5(C(CC23)C14)[C@H](OC(C)=O)C6=C
|
|
| MolPort-009-758-390 |
0.64 |
Cl.CCN1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34[C@@H]5CC(=O)[C@H]6C[C@@]5([C@@H](C[C@H]23)[C@@H]14)[C@H](OC(C)=O)C6=C
|
|
| MolPort-009-758-372 |
0.64 |
Cl.CCN1C[C@]2(C)CC[C@H](OC(C)=O)C34[C@@H]5CC(=O)[C@H]6C[C@@]5(C(C[C@H]23)[C@H]14)[C@H](OC(C)=O)C6=C
|
|
| MolPort-000-723-674 |
0.64 |
[Cl-].CC[NH+]1C[C@]2(C)CC[C@H](OC(C)=O)[C@@]34C5CC(=O)[C@H]6C[C@@]5([C@@H](CC23)[C@@H]14)[C@H](OC(C)=O)C6=C
|
|
| MolPort-003-927-243 |
0.64 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-345 |
0.64 |
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 |
0.64 |
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 |
0.64 |
[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
|
|
| MCULE-4300429692 |
0.64 |
C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-1599397850 |
0.64 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-6785214981 |
0.64 |
[C@]12(C)C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C1CCOC(C)(C)C1)CC(O)=O)=O
|
|
| MCULE-8318618542 |
0.64 |
C1(O)CCN2C1([H])C(COC(C(C(OC)C)(C(C)C)O)=O)=CC2
|
|
| MCULE-1156496490 |
0.64 |
[C@@](O)(C(C)C)([C@@H](C)OC)C(=O)OCC1=CCN2CC[C@H](O)[C@]21[H]
|
|
| MCULE-9372385729 |
0.64 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@H](OC)C)=O
|
|
| MCULE-6984575106 |
0.64 |
C(O)(C(C)C)(C(C)OC)C(=O)OCC1=CCN2CCC(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-8261441210 |
0.64 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC
|
|
| MCULE-3414587626 |
0.64 |
C1(=C/C)\C[C@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-5897801481 |
0.64 |
CC=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(O)(CO)C(C)C1
|
|
| MCULE-9753454229 |
0.64 |
C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-000-775-829 |
0.64 |
C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-002-529-307 |
0.64 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-000-698-552 |
0.64 |
COC(C)C(O)(C(C)C)C(=O)OCC1=CCN2CCC(O)[C@@H]12
|
|
| MolPort-002-525-685 |
0.64 |
CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MolPort-046-153-853 |
0.64 |
CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MolPort-046-598-110 |
0.64 |
COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
|
|
| MolPort-002-509-334 |
0.64 |
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-046-701-758 |
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)N2CCC[C@H](C2)C(=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
|
|
| MolPort-002-526-408 |
0.64 |
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 |
0.64 |
O.C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-009-758-385 |
0.64 |
O.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 |
0.64 |
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 |
0.64 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-513-617 |
0.63 |
CCOC(=O)C1CCN(CC2[C@H]3CC4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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| MolPort-045-938-945 |
0.63 |
O=C(C1CC(=O)OC11CCCC1)N1C[C@H]2CC=CC[C@H]2C1
|
|
| MolPort-009-758-507 |
0.63 |
OC(=O)C(O)=O.CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCN(CC1)C1CCCCC1
|
|
| MolPort-007-753-920 |
0.63 |
CCCCNC(=O)C1=C(C)C(=O)OC11CCCCCC1
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|
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0.63 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)[C@@H]23
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|
| MolPort-007-641-018 |
0.63 |
CC1CCCCC1NC(=O)C1=C(C)C(=O)OC11CCCCC1
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|
| MolPort-007-641-040 |
0.63 |
CC1=C(C(=O)NC2CCCCC2)C2(CCCCC2)OC1=O
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|
| MolPort-007-641-041 |
0.63 |
CC(NC(=O)C1=C(C)C(=O)OC11CCCCC1)C12CC3CC(CC(C3)C1)C2
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|
| MolPort-007-753-963 |
0.63 |
CCOCCCNC(=O)C1=C(C)C(=O)OC11CCCCCC1
|
|
| MolPort-046-067-807 |
0.63 |
[I-].COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
|
|
| MolPort-002-532-414 |
0.63 |
CC1CC(C)CN(CCC(=O)OC2CC[C@]3(C)C4CC[C@@]5(C)C(CC[C@]5(OC(C)=O)C(C)=O)[C@@H]4C=C(C)C3=C2)C1
|
|
| MolPort-000-778-943 |
0.63 |
CC(C)(CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(O)C(O)=O
|
|
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0.63 |
CC(=O)O[C@@]1(CCC2[C@@H]3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCCC1)C(C)=O
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0.63 |
CC(C)(CNC(=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)C(O)C(O)=O
|
|
| MCULE-2925505908 |
0.63 |
N1(C[C@@H]2[C@@H](CC=CC2)C1)C(=O)C1CC(OC21CCCC2)=O
|
|
| MCULE-7853598453 |
0.63 |
C1(=C)[C@H](C)[C@@H]([C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-4868613522 |
0.63 |
C1(=C(C)C(OC21CCCCC2)=O)C(=O)NC1CCCCC1
|
|
| MCULE-9148030040 |
0.63 |
C1(=C(C)C(OC21CCCCC2)=O)C(=O)NC1CCCCC1C
|
|
| MCULE-1785556834 |
0.63 |
C1(C(NCCCOCC)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-1012481082 |
0.63 |
C1(C(NCCCOC(C)C)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-2237667009 |
0.63 |
C1(C(NCCCC)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-3339988312 |
0.63 |
[I-].C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
|
|
| MCULE-2554583435 |
0.63 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC(C)(C)C(O)C(O)=O)=O
|
|
| MCULE-6428225834 |
0.63 |
C12=CC(CC[C@]1(C)C1[C@]([H])(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(=O)CCN1CCCCC1
|
|
| MCULE-4602719751 |
0.63 |
C12=CC(CCC1(C)C1C([H])(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(=O)CCN1CCCCC1
|
|
| MCULE-3491155507 |
0.63 |
C1(=C(C)C(OC21CCCCCC2)=O)C(=O)NC1CCCC1
|
|
| MCULE-1014292696 |
0.63 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-4986817328 |
0.63 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-1499800054 |
0.63 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O
|
|
| MCULE-1481800775 |
0.63 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-8922712477 |
0.63 |
C1(=C(C)C(OC21CCCCC2)=O)C(=O)NC1CCCCCC1
|
|
| MCULE-1834338412 |
0.63 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-5065848832 |
0.63 |
[C@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-6796433450 |
0.63 |
C1(=C(C)C(OC21CCCCCC2)=O)C(=O)NC1CCCCC1
|
|
| MCULE-1907822903 |
0.63 |
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
|
|
| MCULE-5239193092 |
0.63 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(=O)NCC1CCCCC1)=O)[H]
|
|
| MCULE-3422384568 |
0.63 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC1CCCCC1)=O
|
|
| MCULE-5477368001 |
0.63 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC1CCC(CC1)C(O)=O)=O
|
|
| MCULE-3301644864 |
0.63 |
C12C3C(C)(CCC(C)(C(=O)OCC4CCCN5CCCCC54)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-6838419999 |
0.63 |
CCN1C(=O)CC(COC(C2CCCCCC=2)=O)C1
|
|
| MolPort-007-753-919 |
0.63 |
CC1=C(C(=O)NC2CCCCC2)C2(CCCCCC2)OC1=O
|
|
| MolPort-046-153-850 |
0.63 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-153-848 |
0.63 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-007-753-981 |
0.63 |
CC1CCC(CC1)NC(=O)C1=C(C)C(=O)OC11CCCCCC1
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|
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0.63 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MolPort-046-153-859 |
0.63 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@H]12
|
|
| MolPort-007-640-976 |
0.63 |
CC1=C(C(=O)NC2CCCCCC2)C2(CCCCC2)OC1=O
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|
| MolPort-002-526-806 |
0.63 |
CC(C)[C@@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-039-339-127 |
0.63 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
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|
| MolPort-002-529-225 |
0.63 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1
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|
| MolPort-002-527-482 |
0.63 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCC(CC1)C(O)=O
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|
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0.63 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1
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|
| MolPort-000-757-513 |
0.63 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCC(CC1)C(O)=O
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|
| MolPort-029-937-867 |
0.63 |
CCN1CC(COC(=O)C2=CCCCCC2)CC1=O
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|
| MolPort-000-767-369 |
0.63 |
[Cl-].CC1CC(C)C[NH+](CCC(=O)OC2CC[C@]3(C)C4CC[C@@]5(C)C(CC[C@]5(OC(C)=O)C(C)=O)[C@@H]4C=C(C)C3=C2)C1
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0.63 |
Cl.CC1CC(C)CN(CCC(=O)OC2CC[C@]3(C)C4CC[C@@]5(C)C(CC[C@]5(OC(C)=O)C(C)=O)[C@@H]4C=C(C)C3=C2)C1
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0.62 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC2(CC1)OCCO2
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CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
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[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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CCCN(CCC1=CCCCC1)C(=O)C1CC(=O)OC11CCCC1
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0.62 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC2(CC1)OCCO2
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|
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[I-].CC(C)C(O)(C(C)O)C(=O)OCC1=CC[N+]2(C)CCC(O)C12
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCC4=CCCCC4)[C@H]3[C@@H]3O[C@]123
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Cl.CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
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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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CN(C)C[C@@H]1[C@@H]2CC\C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O
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C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
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|
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0.62 |
C\C=C1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
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CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCN(CC1)C1CCCCC1
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C\C=C1/CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
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|
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C[C@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(O)=O
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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)NCCCCC(O)=O
|
|
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0.62 |
CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
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|
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0.62 |
CC(C)CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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|
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0.62 |
CCCCCCCCCCCCCCCCCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
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CCCCCCCCCCN(CCCCCCCCCC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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|
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0.62 |
CCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
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C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNC1CCCCC1
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|
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0.62 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
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|
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0.62 |
CC(C)CCCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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|
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0.62 |
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCC1=CCCCC1
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CN1CCN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC1
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|
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0.62 |
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC5(CC4)OCCO5)[C@H]3CC12O
|
|
| MCULE-1990314969 |
0.62 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O.[I-]
|
|
| MCULE-9497006480 |
0.62 |
C1(CC(OC21CCCC2)=O)C(=O)N(CCC)CCC1CCCCC=1
|
|
| MCULE-9982898170 |
0.62 |
C1(=C/C)\CC([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-4830898327 |
0.62 |
C1(=O)C(=CC)CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(C23)O1
|
|
| MCULE-9772294420 |
0.62 |
[C@]12(C)C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(NCCCCC(O)=O)=O)=O
|
|
| MCULE-5602624149 |
0.62 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(NCCCCC(O)=O)=O)=O)[H]
|
|
| MCULE-7385234822 |
0.62 |
C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCCCCCCCCCCCCCCCCCC
|
|
| MCULE-7478824453 |
0.62 |
C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCC1C2CC3C(CCCC3(CC2OC1=O)C)=C
|
|
| MCULE-7683004045 |
0.62 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC1CCCCCCC1
|
|
| MCULE-7384270918 |
0.62 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC(C)CCCC(C)C
|
|
| MCULE-3909356670 |
0.62 |
C1(C(NCCCCCCCCCC)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-9369201531 |
0.62 |
C1(C(NCCCCCCCC)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-5663250108 |
0.62 |
C1(C(=O)NCC(CCCC)CC)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-6319836568 |
0.62 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC(C)CCCCC
|
|
| MCULE-2562334982 |
0.62 |
C1(C(NCCCCCCCCCCC)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-7094225424 |
0.62 |
C12(O)C(C)OCC3(OC3(C)C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C2
|
|
| MCULE-1866986142 |
0.62 |
[C@@]12(O[C@H]1C)C[C@@]1(OC1)[C@](O)(C)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@]13[H]
|
|
| MCULE-7813149467 |
0.62 |
C1(=C/C)\CC([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-9176568984 |
0.62 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC1CC1
|
|
| MCULE-8122860843 |
0.62 |
[C@H]1(CN2CCCCC2)C2C[C@@]3([H])C(CCC[C@@]3(CC2OC1=O)C)=C
|
|
| MCULE-9663035334 |
0.62 |
C1(CN2CCCC2)C2CC3C(CCCC3(CC2OC1=O)C)=C
|
|
| MCULE-5706880350 |
0.62 |
C1[C@]2(C)C[C@@H](C)[C@@](C)(O2)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-7919681224 |
0.62 |
CC1CC(C)(C)CC(OC(CCN2C(=O)C3C(CCCC3)C2=O)=O)C=1
|
|
| MolPort-001-538-990 |
0.62 |
CCCCC(CC)CNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-046-153-840 |
0.62 |
CC1OCC23CC1(O)C(=O)O[C@@H]1CCN4CC=C(COC(=O)C2(C)O3)[C@H]14
|
|
| MolPort-001-539-516 |
0.62 |
CCCCCC(C)NC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-001-539-715 |
0.62 |
OC(=O)C1C2OC(C=C2)C1C(=O)NC1CCCCCCC1
|
|
| MolPort-001-544-676 |
0.62 |
CCCCCCCCCCNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-001-502-004 |
0.62 |
CCCCCCCCNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-001-625-877 |
0.62 |
CC(C)CCCC(C)NC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-001-489-373 |
0.62 |
CCCCCCCCCCCNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
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0.62 |
CCOC(=O)C1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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0.62 |
C[C@@H]1O[C@@]11C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
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0.62 |
C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
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0.62 |
CN(CC1OCCO1)CC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
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0.62 |
OC(=O)C1C2OC(C=C2)C1C(=O)NC1CC1
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CC1=CC(CC(C)(C)C1)OC(=O)CCN1C(=O)C2CCCCC2C1=O
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C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1
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0.62 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
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0.62 |
CC1CC(=O)C(C)CN1CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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CC1(C)CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)(C)C1
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CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CCCC1
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0.62 |
CC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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0.62 |
CCC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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0.62 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
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C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34
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|
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C[C@]12CCCC(=C)[C@@H]1CC1C(C2)OC(=O)[C@H]1CN1CCCCC1
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0.62 |
CC1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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0.61 |
OC(=O)C1C2OC(C=C2)C1C(=O)NC1CCCCCC1
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OC(=O)C1C2OC(C=C2)C1C(=O)NCC12CC3CC(CC(C3)C1)C2
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0.61 |
OC(=O)C1C2OC(C=C2)C1C(=O)NC12CC3CC(CC(C3)C1)C2
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OC(=O)C1C2OC(C=C2)C1C(=O)NCC1CCCCC1
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0.61 |
CC(C)CN(CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1)CC(C)C
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|
| MolPort-007-753-913 |
0.61 |
CCN(CC)CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1
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0.61 |
CCCCN(CC)CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1
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0.61 |
CCCCN(C)CCCNC(=O)C1=C(C)C(=O)OC11CCCCCC1
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0.61 |
CCCCN(CCCC)CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1
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0.61 |
OC(=O)[C@H]1CC[C@H](O1)C1CCN(CC1)C(=O)CCOCC1CC1
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|
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CCOCC1(CC1)C(=O)N1CCC(CC1)[C@@H]1CC[C@@H](O1)C(O)=O
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C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCC1=CCCCC1
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0.61 |
CCN(CC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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0.61 |
CCCCCCNC(=O)C1C2OC(C=C2)C1C(O)=O
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0.61 |
C\C1=C/[C@@H](O)C2[C@H](CC(C)=CCC1)OC(=O)C2CN1CCCCC1
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0.61 |
OC(=O)C(O)=O.CCCCN(CCCC)CCCNCC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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0.61 |
OC(=O)C([O-])=O.CCCC[NH+](CCCC)CCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
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C[C@@H]1OC11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
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|
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0.61 |
C12(CNC(=O)C3C4C=CC(O4)C3C(O)=O)CC3CC(CC(C3)C1)C2
|
|
| MCULE-4259700993 |
0.61 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC1CCCCCC1
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|
| MCULE-6325725074 |
0.61 |
C1(C(=O)NCC2CCCCC2)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-4864819632 |
0.61 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC12CC3CC(CC(C3)C1)C2
|
|
| MCULE-9787696265 |
0.61 |
C1(C(NCCCN(CCCC)CCCC)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-2908585235 |
0.61 |
C1(C(NCCCN(CC)CC)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-3248667296 |
0.61 |
C1(C(NCCCN(CC(C)C)CC(C)C)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-7973261299 |
0.61 |
C1(C(NCCCN(C)CCCC)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-7772605608 |
0.61 |
C1(C(NCCCN(CCCC)CC)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-9186864707 |
0.61 |
CCOCC1(C(N2CCC([C@H]3O[C@@H](C(O)=O)CC3)CC2)=O)CC1
|
|
| MCULE-6015309482 |
0.61 |
OC([C@@H]1O[C@H](C2CCN(C(CCOCC3CC3)=O)CC2)CC1)=O
|
|
| MCULE-5893495558 |
0.61 |
CCC1OCC2(C(C(OC)=O)CNC2)C1
|
|
| MCULE-1163987018 |
0.61 |
C1(C(NCCCCCC)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-6434067942 |
0.61 |
C12(O[C@H]1C)C[C@H]([C@@](C)(O)C(=O)OCC1=CCN3[C@@]1([H])[C@H](OC2=O)CC3)C
|
|
| MCULE-8513333238 |
0.61 |
C1(C(NCCCN2CCCCC2)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-2906458166 |
0.61 |
C1(C(NCCCN2CCC(CC2)N2CCCCC2)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-3252747315 |
0.61 |
C1(C(NCCCN2CC(C)CC(C)C2)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-1176104577 |
0.61 |
C1(C(NCCCN2C(C)CCCC2C)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-3811946137 |
0.61 |
C1(C(NCCCN2CC(C)CC(C)C2)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-8339457270 |
0.61 |
C1(C)C(C)C(C(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-1191555941 |
0.61 |
C1(C(=O)NCC(C)C)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-4226767409 |
0.61 |
N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
|
|
| MCULE-9254312661 |
0.61 |
O1C2CCNCC2CC1C(O)=O
|
|
| MCULE-1328502038 |
0.61 |
C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
|
|
| MCULE-5741931390 |
0.61 |
N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
|
|
| MCULE-5539957775 |
0.61 |
OC([C@H]1[C@@H](CNC(CC2CCCCC=2)=O)CCO1)=O
|
|
| MCULE-6443475890 |
0.61 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(=O)NCC(C)C)=O)[H]
|
|
| MCULE-5427944864 |
0.61 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C)CC)=O
|
|
| MCULE-4188076220 |
0.61 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC1CCCCC1
|
|
| MCULE-8894231283 |
0.61 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCCCCC1
|
|
| MCULE-7904456370 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C1CCOC(C)(C)C1)CC(O)=O)=O
|
|
| MCULE-8669677716 |
0.61 |
[C@]12(C)C[C@H](O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C1CCOC(C)(C)C1)CC(O)=O)=O
|
|
| MCULE-9322352863 |
0.61 |
[C@@]1(O)([C@H](O)C)C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3[C@@]2([H])[C@H](OC1=O)CC3)C
|
|
| MCULE-5525027637 |
0.61 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC(C)C
|
|
| MolPort-002-521-405 |
0.61 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCC5(CC4)OCCO5)[C@H]3C(O)[C@]12C
|
|
| MolPort-002-511-467 |
0.61 |
CC12CC(CC(C)(C)C1)N(CC1[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC1=O)C2
|
|
| MolPort-007-753-987 |
0.61 |
CC1CC(C)CN(CCCNC(=O)C2=C(C)C(=O)OC22CCCCCC2)C1
|
|
| MolPort-007-641-053 |
0.61 |
CC1CC(C)CN(CCCNC(=O)C2=C(C)C(=O)OC22CCCCC2)C1
|
|
| MolPort-007-753-995 |
0.61 |
CC1CCCC(C)N1CCCNC(=O)C1=C(C)C(=O)OC11CCCCC1
|
|
| MolPort-007-753-907 |
0.61 |
CC1=C(C(=O)NCCCN2CCC(CC2)N2CCCCC2)C2(CCCCC2)OC1=O
|
|
| MolPort-002-513-602 |
0.61 |
CC(NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
|
|
| MolPort-046-153-838 |
0.61 |
CC1C(C)C(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1C)[C@@H]23
|
|
| MolPort-009-758-550 |
0.61 |
OC(=O)C(O)=O.CC(=O)N1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-008-307-596 |
0.61 |
CC(C)CNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-006-111-467 |
0.61 |
C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
|
|
| MolPort-046-153-866 |
0.61 |
C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
|
|
| MolPort-044-754-029 |
0.61 |
C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
|
|
| MolPort-002-533-637 |
0.61 |
CCC(C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-019-699-750 |
0.61 |
CC(C)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-002-529-286 |
0.61 |
CC(C)CNC(=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
|
|
| MolPort-002-515-528 |
0.61 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCCC3)[C@@H]2CCC1=C
|
|
| MolPort-046-506-003 |
0.61 |
OC(=O)[C@@H]1OCC[C@@H]1CNC(=O)CC1=CCCCC1
|
|
| MolPort-002-792-928 |
0.61 |
OC(=O)C1C2OC(C=C2)C1C(=O)NC1CCCCC1
|
|
| MolPort-002-528-732 |
0.61 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-000-767-890 |
0.61 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-000-773-087 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-002-528-519 |
0.61 |
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)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-000-791-779 |
0.61 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C1CCOC(C)(C)C1
|
|
| MolPort-001-540-486 |
0.61 |
OC(=O)C1C2OC(C=C2)C1C(=O)N1CCCCCC1
|
|
| MolPort-044-754-047 |
0.61 |
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-000-812-088 |
0.60 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1=CCCCC1
|
|
| MolPort-002-527-731 |
0.60 |
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
|
|
| MolPort-002-529-069 |
0.60 |
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)NCCC1=CCCCC1
|
|
| MolPort-001-501-170 |
0.60 |
CC(C)NC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-046-153-836 |
0.60 |
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-002-516-682 |
0.60 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCC=C
|
|
| MolPort-002-531-287 |
0.60 |
CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-027-717-778 |
0.60 |
Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
|
|
| MolPort-000-748-737 |
0.60 |
[Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
|
|
| MolPort-001-501-407 |
0.60 |
CCCCCNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-001-488-389 |
0.60 |
CCCCNC(=O)C1C2OC(C=C2)C1C(O)=O
|
|
| MolPort-019-931-738 |
0.60 |
CC(C)C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)C(C)=CC2\C=C(C)\CC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1C3=O
|
|
| MolPort-046-153-852 |
0.60 |
C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
|
|
| MolPort-001-596-185 |
0.60 |
OC(=O)C1C2OC(C=C2)C1C(=O)N1CCC2(CC1)OCCO2
|
|
| MolPort-046-153-864 |
0.60 |
COC(=O)[C@](O)(CC(C)C)CC(=O)OC[C@@H]1CCN2CCC[C@@H]12
|
|
| MCULE-6268397381 |
0.60 |
[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
|
|
| MCULE-5606833069 |
0.60 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(NCCC1CCCCC=1)=O)=O
|
|
| MCULE-6772467713 |
0.60 |
C1(C(NCCCCC)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-9925333522 |
0.60 |
C1(C(NCCCC)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-6615531640 |
0.60 |
C1C2C=C(C)CC[C@@H](O)[C@@H](O)[C@@H]3O[C@@H]3C(=O)[C@@]32C(=O)N[C@@H](CC(C)C)[C@]3([H])[C@H](C)C=1C
|
|
| MCULE-9230891451 |
0.60 |
CCC1C2(C(C(OC)=O)CNC2)COC1
|
|
| MCULE-2275165086 |
0.60 |
CCC1OCC2(C(C(O)=O)CNC2)C1
|
|
| MCULE-5989447169 |
0.60 |
OC(C1C2(CC(C3CC3)OC2)CNC1)=O
|
|
| MCULE-2112951562 |
0.60 |
CC(C1OCC2(C(C(O)=O)CNC2)C1)C
|
|
| MCULE-5958737035 |
0.60 |
CCOC(C1C2(CC(C)OC2)CNC1)=O
|
|
| MCULE-9273757492 |
0.60 |
CCCC1C2(C(C(O)=O)CNC2)COC1
|
|
| MCULE-9402104350 |
0.60 |
COC(C1C2(C(C)C(C)OC2)CNC1)=O
|
|
| MCULE-3001536995 |
0.60 |
[C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
|
|
| MCULE-5043319321 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCC2(OCCO2)CC1
|
|
| MCULE-7252907887 |
0.60 |
[C@@]12([H])CCCN1CC[C@H]2COC(C[C@@](C(=O)OC)(O)CC(C)C)=O
|
|
| MCULE-6390090045 |
0.60 |
[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-7850891265 |
0.60 |
C1(O)(CO)C(C)[C@@H](C(O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-8617603456 |
0.60 |
[C@@H]1(C(C)C)[C@@](C)(O)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-5725050795 |
0.60 |
C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
|
|
| MCULE-2303468994 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCCC(C)C1
|
|
| MCULE-4951647424 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCCC1
|
|
| MCULE-6274260672 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCC(C)CC1
|
|
| MCULE-9742153922 |
0.60 |
C1(C(NCC=C)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-3962096714 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)N1CCCCC1
|
|
| MCULE-6237709351 |
0.60 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC1CCCC1
|
|
| MCULE-3857064447 |
0.60 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-1534966820 |
0.60 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@@]2(O)C(=O)COC(CCC(=O)NCC(C)(C)C(O)C(O)=O)=O
|
|
| MCULE-3687346804 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(CCC(=O)NCC(C)(C)C(O)C(O)=O)=O
|
|
| MCULE-4062654438 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC(C)(C)C(O)C(O)=O)=O
|
|
| MCULE-6063048749 |
0.60 |
CC1([C@@H]2C(COC(CCN3C(=O)C4C(CCCC4)C3=O)=O)=CC[C@H]1C2)C
|
|
| MCULE-3044005298 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(=O)CC[NH+]1CCCCC1)C)=O
|
|
| MCULE-1337132631 |
0.60 |
C12C(C3OC1(CO)C=C3)C(NC2=O)=O
|
|
| MCULE-3483369537 |
0.60 |
C12C3(C)C=CC(O3)(CO)C1C(NC2=O)=O
|
|
