| MolPort-035-941-196 |
1 |
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
|
|
| MolPort-044-561-587 |
0.69 |
CCC1NC(=O)C(NC)C(OC(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C)C(C)C\C=C\C
|
|
| MCULE-8009402787 |
0.69 |
C1(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)CN(C)C(=O)[C@H](CC)NC(=O)[C@@H](NC)[C@@H]([C@]([H])(C)C/C=C/C)O1)C)CC(C)C
|
|
| MolPort-009-758-282 |
0.69 |
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 |
0.69 |
OC(=O)C([O-])=O.CC1CCC=C2C[C@H]3OC(=O)C(C[NH+]4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-046-418-730 |
0.68 |
CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](N)C(C)C)C(=O)N(C)CC(=O)OC
|
|
| MolPort-046-683-501 |
0.68 |
CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C)C(=O)N(C)CC(=O)OC
|
|
| MolPort-002-522-466 |
0.68 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-023-274-377 |
0.68 |
CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O
|
|
| MCULE-1600547088 |
0.68 |
C1(=O)N[C@H](C)C(N(C)[C@@H](CC(C)C)C(N([C@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N([C@@](C(=O)N[C@H](C(=O)N(C)CC(=O)N(C)[C@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H](C(=O)N[C@H]1C)CC(C)C)CC(C)C)CC)([H])[C@H](OC(C)=O)[C@H](C)C/C=C/C)C)CC(C)C)C)=O)=O
|
|
| MCULE-4697033055 |
0.68 |
N(C)([C@@]([H])([C@H](OC(C)=O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N(C)CC(OC)=O)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC([C@H](CC(C)C)N(C)C(=O)[C@]([H])(C(C)C)NC(=O)[C@H](CC(C)C)NC)=O
|
|
| MCULE-8835652471 |
0.68 |
N(C)([C@@]([H])([C@H](OC(C)=O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N(C)CC(OC)=O)C(=O)[C@]([H])(C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC([C@H](CC(C)C)N(C)C(=O)[C@]([H])(C(C)C)N)=O
|
|
| MCULE-7565235414 |
0.68 |
N1C(CCC(O)=O)C(NC(CC(C)C)C(NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(O)=O)C(NC(CC(C)C)C(NC(CC(C)C)C(=O)OC([H])(CCCCCCCCCCC(C)C)C1=O)=O)=O)=O)=O
|
|
| MCULE-8191258471 |
0.68 |
CCCCCCCCCC1OC(=O)C(CO)NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C
|
|
| MolPort-006-668-568 |
0.68 |
COC(=O)CNC(=O)CC(C)(O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(C)CCC(O)C(C)(C)O)C1(C)C
|
|
| MolPort-006-668-284 |
0.67 |
CCC(C)C1NC(=O)C2C(C)CCN2C(=O)C(CC(O)CO)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
|
|
| MolPort-000-768-141 |
0.67 |
CC(C)CC(NC(=O)C1CCCN1C(=O)[C@]1(C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](C1)OC(C)=O)OC(C)=O)C(=O)NCC(N)=O
|
|
| MCULE-6919944131 |
0.67 |
O1C(CCNC(=O)C(C)N(C(C(N(C)C(C(NC(C2C(C)CCN2C(C1CC(O)CO)=O)=O)C(C)CC)=O)C(C)C)=O)C)=O
|
|
| MCULE-7595839888 |
0.67 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C)C(=O)NC(CCCC)C(O)=O)=O
|
|
| MCULE-3157761915 |
0.67 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)N1CCCC1C(O)=O)=O
|
|
| MolPort-046-418-731 |
0.67 |
[H+].[F-][B+3]([F-])([F-])[F-].CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C)C(=O)N(C)CC(=O)OC
|
|
| MolPort-002-530-348 |
0.67 |
CCCCC(NC(=O)C(C)NC(=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)=O
|
|
| MolPort-027-845-920 |
0.67 |
CCCCC(NC(=O)C(C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(O)=O
|
|
| MolPort-046-596-241 |
0.67 |
CCCCC(NC(=O)C(C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(O)=O
|
|
| MolPort-000-749-222 |
0.67 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)N1CCCC1C(O)=O
|
|
| MolPort-027-689-186 |
0.66 |
CC1CC=CCC1COC(=O)C1CCCN1C(=O)C1CCCCC1
|
|
| MolPort-002-530-207 |
0.66 |
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
|
|
| MolPort-000-765-080 |
0.66 |
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
|
|
| MCULE-4269912706 |
0.66 |
CC1C(COC(C2N(C(C3CCCCC3)=O)CCC2)=O)CC=CC1
|
|
| MCULE-8815818908 |
0.66 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)N1CC(CC1C(OC)=O)O)=O
|
|
| MCULE-9771307909 |
0.66 |
[C@@]1(OC(C)=O)(C[C@H](OC(C)=O)[C@H]([C@@H](OC(C)=O)C1)OC(C)=O)C(=O)N1CCC[C@@]1([H])C(N)=O
|
|
| MCULE-2517499873 |
0.66 |
O=C(N1[C@@H]2[C@@H](OCC2)C[C@H]1C(N1CCCC1)=O)CC1CCOCC1
|
|
| MCULE-7785732069 |
0.66 |
OC1C(=O)N(CC(N2CC3(CCOCC3)COCC2)=O)CCCC1
|
|
| MolPort-046-596-289 |
0.66 |
CC(=O)O[C@H]1C[C@](C[C@H](OC(C)=O)[C@H]1OC(C)=O)(OC(C)=O)C(=O)N1CCCC1C(N)=O
|
|
| MolPort-002-515-951 |
0.66 |
CC(=O)O[C@H]1C[C@](C[C@H](OC(C)=O)[C@H]1OC(C)=O)(OC(C)=O)C(=O)N1CCC[C@H]1C(N)=O
|
|
| MolPort-046-477-889 |
0.66 |
O=C(CC1CCOCC1)N1[C@H]2CCO[C@H]2C[C@H]1C(=O)N1CCCC1
|
|
| MolPort-044-483-367 |
0.66 |
OC1CCCCN(CC(=O)N2CCOCC3(CCOCC3)C2)C1=O
|
|
| MolPort-000-748-160 |
0.65 |
CCC(C)C(NC(=O)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(C)C)C(O)=O
|
|
| MolPort-000-753-167 |
0.65 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(C(C)O)C(O)=O
|
|
| MolPort-000-747-747 |
0.65 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(CO)C(O)=O
|
|
| MolPort-000-759-045 |
0.65 |
CCCC(NC(=O)C(C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(O)=O
|
|
| MolPort-002-527-782 |
0.65 |
CCCC(NC(=O)C(C)NC(=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)=O
|
|
| MolPort-000-747-093 |
0.65 |
CC(C)CC(NC(=O)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(C)C)C(O)=O
|
|
| MolPort-040-556-295 |
0.65 |
CC(N1CC2C3OC(C=C3)C2C1)C(=O)NCC1CCCO1
|
|
| MolPort-009-758-550 |
0.65 |
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-000-750-874 |
0.65 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(CCC(N)=O)C(O)=O
|
|
| MCULE-9962030973 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(C(C)O)C(O)=O)=O
|
|
| MCULE-9569800470 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(O)=O)=O
|
|
| MCULE-2534218213 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(O)=O)=O
|
|
| MCULE-4562491301 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C)C(=O)NC(CCC)C(O)=O)=O
|
|
| MCULE-9385633774 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(CO)C(O)=O)=O
|
|
| MCULE-7698664196 |
0.65 |
CC(C(NCC1OCCC1)=O)N1CC2C3C=CC(C2C1)O3
|
|
| MCULE-4065790824 |
0.65 |
COC(CC1(NC(C2N3CCCCC3CC2)=O)COCCC1)=O
|
|
| MCULE-8677351310 |
0.65 |
COC(C(N(C1C(=O)N(C)CCCC1)C)=O)C1COCC1
|
|
| MCULE-5791011767 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(CCC(N)=O)C(O)=O)=O
|
|
| MCULE-1506963069 |
0.65 |
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-7811844629 |
0.65 |
C1(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)OC(CCCCCCCCC(C)C)CC(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)N1
|
|
| MCULE-7838408162 |
0.65 |
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
|
|
| MCULE-5726301674 |
0.65 |
CN(C(C1N(C(COC2CCCC2)=O)[C@@H]2[C@@H](OCC2)C1)=O)C
|
|
| MCULE-5349933480 |
0.65 |
CCOC(C1N(C(CN2CC3(CC=CCC3)CCC2)=O)CCCC1)=O
|
|
| MCULE-4662675504 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(C)C(O)=O)=O
|
|
| MCULE-8661970683 |
0.65 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NCC(O)=O)=O
|
|
| MCULE-4586615516 |
0.65 |
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-3525826823 |
0.65 |
[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-4891792123 |
0.65 |
[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-4056010995 |
0.65 |
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-1200527662 |
0.65 |
[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
|
|
| MCULE-8447897946 |
0.65 |
COC1C(=O)N(CC(N2CC3(CCOCC3)OCC2)=O)CCCC1
|
|
| MolPort-009-758-408 |
0.65 |
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 |
0.65 |
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-044-637-517 |
0.65 |
CC(C)CCCCCCCCC1CC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O1
|
|
| MolPort-002-521-190 |
0.65 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CC4)C(C)=O)[C@H]3C(O)[C@]12C
|
|
| MolPort-035-813-702 |
0.65 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-035-837-821 |
0.65 |
CCOC(=O)C1CCCCN1C(=O)CN1CCCC2(CCC=CC2)C1
|
|
| MolPort-002-513-771 |
0.65 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN[C@H]1CCCCNC1=O
|
|
| MolPort-000-749-236 |
0.65 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(C)C(O)=O
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|
| MolPort-000-748-647 |
0.65 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NCC(O)=O
|
|
| MolPort-002-515-473 |
0.65 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3C=C12
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|
| MolPort-046-688-672 |
0.65 |
CN[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)CCCCCCC(=O)C(C(OC(C)=O)[C@H](C)C\C=C\COC(C)=O)N(C)C
|
|
| MolPort-046-764-665 |
0.65 |
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-046-703-115 |
0.65 |
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
|
|
| MolPort-023-299-479 |
0.65 |
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-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-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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| MolPort-046-764-664 |
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CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@@H](O)[C@H](C)[C@@H]1CC(=O)[C@H](CC=C)\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)O1
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| MolPort-044-482-734 |
0.65 |
COC1CCCCN(CC(=O)N2CCOC3(CCOCC3)C2)C1=O
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| MolPort-002-507-885 |
0.64 |
CCN1CCCC1CN1CC23OC(C=C2)C(C3C1=O)C(O)=O
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| MolPort-046-689-799 |
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CO[C@H]1C[C@@H](CC[C@H]1O)[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](C)\C=C1/C)OC
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|
| MolPort-002-531-727 |
0.64 |
CC(=O)N1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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|
| MolPort-023-274-380 |
0.64 |
CCCCCCCCCC1OC(=O)C(=C)NC(=O)C(NC(=O)C(NC(=O)C(C)C(O)C1C)C(C)C)C(C)O
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|
| MolPort-002-520-427 |
0.64 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCO)CC4)[C@H]3C(O)[C@]12C
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|
| MolPort-002-511-265 |
0.64 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCOCC4)C(=O)O[C@@H]2[C@@H]13
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|
| MolPort-006-668-566 |
0.64 |
CC(O)(CC(=O)NCC(O)=O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(CO)CCC(O)C(C)(C)O)C1(C)C
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|
| MolPort-002-529-305 |
0.64 |
COC(=O)C1CC(O)CN1C(=O)CCC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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|
| MolPort-028-088-171 |
0.64 |
CC(N1C(=O)C2CCCCC2C1=O)C(=O)OCC1CC=CCC1C
|
|
| MolPort-000-759-213 |
0.64 |
COC(=O)C1CC(O)CN1C(=O)CCC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-039-313-561 |
0.64 |
CCOC(=O)C(CCC=C)NC(=O)C1CCCCC(=O)N1
|
|
| MolPort-002-528-381 |
0.64 |
CC(C)C(NC(=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)NCC(C)(C)C(O)C(O)=O
|
|
| MolPort-039-338-347 |
0.64 |
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-000-753-922 |
0.64 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)NCC(C)(C)C(O)C(O)=O
|
|
| MCULE-9112386768 |
0.64 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC1CCCN1CC)C2=O
|
|
| MCULE-3269491819 |
0.64 |
CCCCCCCCCC1OC(=O)C(=C)NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C(C)C(O)C1C
|
|
| MCULE-6065438592 |
0.64 |
C1(O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)CO)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)CC(C)(O)CC(=O)NCC(=O)O
|
|
| MCULE-6214860681 |
0.64 |
CC(C(OCC1C(C)CC=CC1)=O)N1C(=O)C2C(CCCC2)C1=O
|
|
| MCULE-4663213110 |
0.64 |
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
|
|
| MCULE-8308181091 |
0.64 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NCC(C)(C)C(O)C(O)=O)=O
|
|
| MCULE-6203738390 |
0.64 |
CCOC(C(NC(C1NC(=O)CCCC1)=O)CCC=C)=O
|
|
| MCULE-2453824717 |
0.64 |
C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
|
|
| MCULE-1098347199 |
0.64 |
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 |
0.64 |
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-7322741531 |
0.64 |
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 |
0.64 |
C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
|
|
| MCULE-3408134534 |
0.64 |
[C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
|
|
| MCULE-7136016255 |
0.64 |
C123OC(CC1C(N(C1CCCCCC1)C2C(N(C1CCCCCC1)C3CC(C)=O)=O)=O)=O
|
|
| MCULE-8548271364 |
0.64 |
CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(C(O)C)NC(=O)C(C(C)C)NC(=O)C1C
|
|
| MCULE-3734935802 |
0.64 |
C12C(C(O)=O)C3C=CC1(CN(CCN(CC)CC)C2=O)O3
|
|
| MCULE-4731247177 |
0.64 |
OC(CC1(NC(CN2C(=O)CCCCC2)=O)COCC1)=O
|
|
| MCULE-6803735336 |
0.64 |
OC(CC1(NC(CN2C(=O)CCCCCC2)=O)COCC1)=O
|
|
| MCULE-7899875923 |
0.64 |
CC(C(N1[C@@H]2[C@@H](OCC2)CC1C(N(C)C)=O)=O)C
|
|
| MCULE-7633954503 |
0.64 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC1CCCO1)=O
|
|
| MCULE-1573186497 |
0.64 |
CC1CCC2(C(=O)N(CC(OCC3CC=CCC3)=O)C(=O)N2)CC1
|
|
| MCULE-8247378565 |
0.64 |
CCC1CCC2(C(=O)N(CC(OCC3CC=CCC3)=O)C(=O)N2)CC1
|
|
| MCULE-2136399145 |
0.64 |
CN1C2(CCCCC2)C(=O)N(CC(OCC2CC=CCC2)=O)C1=O
|
|
| MCULE-5332885255 |
0.64 |
COC1C(=O)N(CC(N2CC3(CC3)COCC2)=O)CCCC1
|
|
| MCULE-1162056061 |
0.64 |
O1C(CCNC(=O)C(C)N(C(C(N(C)C(C(NC(=O)C2CCCN2C(C1CC(C)C(O)=O)=O)C(C)CC)=O)C(C)C)=O)C)=O
|
|
| MCULE-6434453587 |
0.64 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)N1CCCC1C(OC)=O)=O
|
|
| MCULE-8547885122 |
0.64 |
N1(CC(CC1C(OC)=O)O)C(CCC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(C=C1CC3)=O)=O
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|
| MolPort-039-339-124 |
0.64 |
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 |
0.64 |
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 |
0.64 |
C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-006-111-401 |
0.64 |
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 |
0.64 |
C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
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|
| MolPort-039-338-352 |
0.64 |
C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
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|
| MolPort-023-274-379 |
0.64 |
CCCCCCCCCCC(C)C1OC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C1C)C(C)C)C(C)O
|
|
| MolPort-007-783-789 |
0.64 |
CC(=O)CC1N(C2CCCCCC2)C(=O)C2N(C3CCCCCC3)C(=O)C3CC(=O)OC123
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|
| MolPort-000-163-059 |
0.64 |
CCN(CC)CCN1CC23OC(C=C2)C(C3C1=O)C(O)=O
|
|
| MolPort-028-337-946 |
0.64 |
CCC1CCC2(CC1)NC(=O)N(CC(=O)OCC1CCC=CC1)C2=O
|
|
| MolPort-028-337-945 |
0.64 |
CC1CCC2(CC1)NC(=O)N(CC(=O)OCC1CCC=CC1)C2=O
|
|
| MolPort-028-406-934 |
0.64 |
CN1C(=O)N(CC(=O)OCC2CCC=CC2)C(=O)C11CCCCC1
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|
| MolPort-046-481-420 |
0.64 |
CC(C)C(=O)N1[C@H]2CCO[C@H]2CC1C(=O)N(C)C
|
|
| MolPort-046-597-121 |
0.64 |
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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|
| MolPort-002-527-618 |
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)NCC1CCCO1
|
|
| MolPort-006-668-290 |
0.64 |
CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C(O)=O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
|
|
| MolPort-044-482-602 |
0.64 |
COC1CCCCN(CC(=O)N2CCOCC3(CC3)C2)C1=O
|
|
| MolPort-046-690-667 |
0.64 |
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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|
| MolPort-000-807-764 |
0.64 |
COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-002-529-076 |
0.64 |
COC(=O)C1CCCN1C(=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-002-512-950 |
0.64 |
COC(=O)C1CC(O)CN1C(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-529-102 |
0.63 |
CCCCC(NC(=O)C(C)NC(=O)CCC(=O)OC1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
|
|
| MolPort-007-783-792 |
0.63 |
CC(=O)CC1N(C2CCCCCC2)C(=O)C2N(C3CCCCC3)C(=O)C3CC(=O)OC123
|
|
| MolPort-044-483-386 |
0.63 |
COC1CCCCN(CC(=O)NCC2(CO)CCOCC2)C1=O
|
|
| MolPort-000-792-936 |
0.63 |
CCCCC(NC(=O)C(C)NC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
|
|
| MolPort-009-757-738 |
0.63 |
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-002-520-601 |
0.63 |
CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
|
|
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0.63 |
CC[C@H](NC(=O)[C@H]([C@H](OC(C)=O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(CC)C(=O)[C@@H](C)N(C)C(=O)OC(C)(C)C)C(C)C)C(=O)N(C)CC(=O)OC
|
|
| MolPort-046-682-781 |
0.63 |
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
|
|
| MolPort-002-528-256 |
0.63 |
CC(C)C(NC(=O)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)=O
|
|
| MolPort-046-761-988 |
0.63 |
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
|
|
| MolPort-044-809-828 |
0.63 |
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
|
|
| MolPort-003-666-518 |
0.63 |
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
|
|
| MolPort-046-684-064 |
0.63 |
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
|
|
| MolPort-044-727-704 |
0.63 |
[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
|
|
| MolPort-020-313-410 |
0.63 |
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
|
|
| MolPort-027-845-935 |
0.63 |
CC(C)C(NC(=O)CNC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@]12C)C(O)=O
|
|
| MolPort-046-761-987 |
0.63 |
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
|
|
| MolPort-009-680-868 |
0.63 |
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
|
|
| MolPort-006-167-645 |
0.63 |
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
|
|
| MolPort-046-689-695 |
0.63 |
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
|
|
| MolPort-046-689-797 |
0.63 |
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
|
|
| MolPort-046-477-901 |
0.63 |
O=C(CC1CCC1)N1[C@H]2CCO[C@H]2C[C@H]1C(=O)N1CCCC1
|
|
| MolPort-028-758-131 |
0.63 |
O=C(COC(=O)C1C2CC3CC(C2)CC1C3)NC1CCCCNC1=O
|
|
| MCULE-8256064736 |
0.63 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(CC1CCCO1)C2C(=O)NC(C)(C)C)=O)(C)O3
|
|
| MCULE-5656598367 |
0.63 |
C123OC(CC1C(N(C1CCCCC1)C2C(N(C1CCCCCC1)C3CC(C)=O)=O)=O)=O
|
|
| MCULE-5885453215 |
0.63 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(=O)NC(C)C(=O)NC(CCCC)C(O)=O)=O)C)=O
|
|
| MCULE-3850290083 |
0.63 |
COC1C(=O)N(CC(NCC2(CCOCC2)CO)=O)CCCC1
|
|
| MCULE-6314555791 |
0.63 |
C(=O)([C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C(=O)[C@@H](C)N(C(OC(C)(C)C)=O)C)CC)N(C)[C@@]([H])([C@H](OC(C)=O)[C@H](C)C/C=C/C)C(=O)N[C@@H](CC)C(=O)N(C)CC(OC)=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-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-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-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-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-9369852082 |
0.63 |
[C@]12(C)C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC(=O)NC(C(C)C)C(O)=O)=O
|
|
| MCULE-6106195539 |
0.63 |
O=C(N1[C@@H]2[C@@H](OCC2)C[C@H]1C(N1CCCC1)=O)CC1CCC1
|
|
| MCULE-1940837999 |
0.63 |
O=C(NC1C(=O)NCCCC1)COC(C1C2CC3CC(C2)CC1C3)=O
|
|
| MCULE-6345005660 |
0.63 |
CN(CC1N(C(CC2(COCC2)O)=O)CC2(CCCC2)OC1)C
|
|
| MCULE-2355205757 |
0.63 |
CCOC(C(C1CCOCC1)NC(C1NC(=O)CCCC1)=O)=O
|
|
| MCULE-6567892176 |
0.63 |
[C@H]1(C[C@@H]2N(C(=O)[C@@H]3C[C@@H](CCN3C2=O)OCC=C)C1)OCC1CC1
|
|
| MCULE-4662097228 |
0.63 |
O=C(C1NC(=O)CCCC1)NCCOC(C1CC1)=O
|
|
| MCULE-2213648108 |
0.63 |
OC(C1N(C2CC2)C(C(N2CC3(CCOCC3)COCC2)=O)CC1)=O
|
|
| MCULE-8979302336 |
0.63 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(OC(CCC(C)COC(C)=O)=O)C2NC(C)=O
|
|
| MCULE-8608484168 |
0.63 |
C(=O)([O-])C(O)=O.C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
|
|
| MCULE-7497406422 |
0.63 |
[C@]12(C)CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)N1CC(CC1C(OC)=O)O)=O
|
|
| MCULE-3746914602 |
0.63 |
[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
|
|
| MCULE-3929691452 |
0.63 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(CCC(C)C)C2C(=O)NC1CCCCC1)=O)(C)O3
|
|
| MCULE-6117931090 |
0.63 |
C123C=CC(C(C(=O)NC4CC4)C1C(N(C1CC1)C2C(=O)NC1CCCCC1)=O)O3
|
|
| MCULE-2108340560 |
0.63 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C1CCCC1)C2C(=O)NC1CCCC1)=O)O3
|
|
| MCULE-1762912353 |
0.63 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C1CC1)C2C(=O)NC(C)(C)C)=O)(C)O3
|
|
| MCULE-4919790960 |
0.63 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C(C)C)C2C(=O)NC1CCCC1)=O)(C)O3
|
|
| MCULE-8198690640 |
0.63 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(C1CC1)C2C(=O)NC1CCCCC1)=O)O3
|
|
| MCULE-5212834303 |
0.63 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C(C)C)C2C(=O)NC(C)(C)C)=O)O3
|
|
| MCULE-7145488172 |
0.63 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C1CCCC1)C2C(=O)NC(C)(C)C)=O)(C)O3
|
|
| MCULE-9435016112 |
0.63 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C1CC1)C2C(=O)NC(C)(C)C)=O)O3
|
|
| MCULE-3560397543 |
0.63 |
C12C(C(O)=O)C3OC1(C=C3)CN(C1C3CCN(CC3)C1)C2=O
|
|
| MCULE-8768488710 |
0.63 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(C(C)C)C2C(=O)NC(C)(C)C)=O)O3
|
|
| MolPort-005-953-329 |
0.63 |
C=CCO[C@@H]1CCN2[C@@H](C1)C(=O)N1C[C@@H](C[C@H]1C2=O)OCC1CC1
|
|
| MolPort-042-592-515 |
0.63 |
CCOC(=O)C(NC(=O)C1CCCCC(=O)N1)C1CCOCC1
|
|
| MolPort-002-529-402 |
0.63 |
C[C@@H](CCC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1NC(C)=O)OC(C)=O)COC(C)=O
|
|
| MolPort-009-758-285 |
0.63 |
OC(=O)C(O)=O.C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
|
|
| MolPort-000-836-943 |
0.63 |
CC(CCC(=O)OC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1NC(C)=O)OC(C)=O)COC(C)=O
|
|
| MolPort-046-596-415 |
0.63 |
CC(CCC(=O)OC1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(C)=O)COC(C)=O
|
|
| MolPort-042-601-574 |
0.63 |
O=C(NCCOC(=O)C1CC1)C1CCCCC(=O)N1
|
|
| MolPort-044-597-920 |
0.63 |
OC(=O)C1CCC(N1C1CC1)C(=O)N1CCOCC2(CCOCC2)C1
|
|
| MolPort-000-777-589 |
0.63 |
OC(=O)C([O-])=O.CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CC[NH+](CCOCCO)CC1
|
|
| MolPort-000-763-128 |
0.63 |
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
|
|
| MolPort-000-799-359 |
0.63 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CC(O)CC1C(O)=O
|
|
| MolPort-002-530-532 |
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)N1CC(O)CC1C(O)=O
|
|
| MolPort-002-670-013 |
0.63 |
OC(=O)C1C2OC3(CN(C4CN5CCC4CC5)C(=O)C13)C=C2
|
|
| MolPort-046-689-798 |
0.63 |
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\[C@H]1C)OC
|
|
| MolPort-002-522-592 |
0.63 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
|
|
| MolPort-046-481-196 |
0.63 |
O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCOC2(CCCC2)C1
|
|
| MolPort-046-481-200 |
0.63 |
O=C([C@@H]1C[C@@H]2OCC[C@@H]2N1)N1CCOC2(C1)CCCCCC2
|
|
| MolPort-002-531-339 |
0.63 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CC4)C(C)=O)[C@H]3C=C12
|
|
| MolPort-046-684-132 |
0.62 |
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
|
|
| MolPort-008-155-973 |
0.62 |
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
|
|
| MolPort-044-724-210 |
0.62 |
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
|
|
| MolPort-003-666-749 |
0.62 |
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
|
|
| MolPort-046-684-033 |
0.62 |
CCC1\C=C(C)\CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC1=O)C(\C)=C\C1CCC(Cl)C(C1)OC
|
|
| MolPort-000-797-049 |
0.62 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H]1CCCCNC1=O
|
|
| MolPort-002-529-364 |
0.62 |
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)N[C@H]1CCCCNC1=O
|
|
| MolPort-002-529-667 |
0.62 |
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-016-613-124 |
0.62 |
COC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@]12CC[C@@](C)(OC1=O)C2(C)C)N(C)C
|
|
| MolPort-035-757-152 |
0.62 |
CCOC(=O)CN1CC23O[C@@H](C=C2)[C@H]([C@H]3C1=O)C(O)=O
|
|
| MolPort-044-872-232 |
0.62 |
COC1CCC2OCCN(C2C1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-001-729-058 |
0.62 |
C[C@@H](CCC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1NC(C)=O)OC(C)=O)CNC(C)=O
|
|
| MolPort-001-729-019 |
0.62 |
CC(CCC(=O)OC1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(C)=O)CNC(C)=O
|
|
| MCULE-9640713141 |
0.62 |
CO[C@H]1[C@H](O)CC[C@@H](C[C@@H](C)[C@H]2OC(=O)[C@H]3N(CCCC3)C(=O)C(=O)[C@]3(O)O[C@@H](CC[C@H]3C)C[C@H](O)C(C)=CC=CC=C[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(C)=C[C@@H](C)C(=O)C2)C1
|
|
| MCULE-8276264241 |
0.62 |
O=C(N1CC2(CCCC2)OCC1)[C@H]1N[C@@H]2[C@@H](OCC2)C1
|
|
| MCULE-5438291364 |
0.62 |
O=C(N1CC2(CCCCCC2)OCC1)[C@H]1N[C@@H]2[C@@H](OCC2)C1
|
|
| MCULE-7953027857 |
0.62 |
C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
|
|
| 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
|
|
| MCULE-2680447880 |
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-7197440353 |
0.62 |
[C@H]1(OC)[C@@H](Cl)CC[C@@H](C=C(C)[C@H]2OC(=O)[C@@]3([H])N(C(C(=O)[C@@]4(O)[C@H](C)C[C@H](OC)[C@@H]([C@@H](OC)C[C@H](CC(C)=C[C@@H](CC)C(=O)C[C@H](O)[C@H]2C)C)O4)=O)CCCC3)C1
|
|
| MCULE-3503168841 |
0.62 |
[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-1018832346 |
0.62 |
N1[C@@H]([C@@H](NC(=O)C)[C@](OC)(C)CCC)[C@H](C=CC)C[C@@H]1C(O)=O
|
|
| MCULE-7106504346 |
0.62 |
O=C(N[C@@]12CCO[C@@H]1CCC2)CN1C(=O)CCCCC1
|
|
| MCULE-7779704806 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)N[C@H]1CCCCNC1=O)=O
|
|
| MCULE-9090182150 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(=O)N[C@H]1CCCCNC1=O)=O)[H]
|
|
| MCULE-6486792089 |
0.62 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(CC(C)C)C2C(=O)NC1CCCC1)=O)O3
|
|
| MCULE-7156378157 |
0.62 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(C1CC1)C2C(=O)NC1CCCC1)=O)(C)O3
|
|
| MCULE-3658082286 |
0.62 |
C123C=CC(C(C(=O)NC4CC4)C1C(N(C1CCCC1)C2C(=O)NC1CCCCC1)=O)O3
|
|
| MCULE-7630792343 |
0.62 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(C(C)C)C2C(=O)NC1CCCCC1)=O)O3
|
|
| MCULE-3388784596 |
0.62 |
[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-5125049153 |
0.62 |
[C@]12(CC[C@](OC1=O)(C)C2(C)C)C(=O)N1C[C@@H](C[C@H]1C(OC)=O)N(C)C
|
|
| MCULE-4908168067 |
0.62 |
CCOC1C2(OCCC2)C(NC(C2N(CC(C)C)CCC2)=O)C1
|
|
| MCULE-2162689898 |
0.62 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC(OCC)=O)C2=O
|
|
| MCULE-1468457293 |
0.62 |
COC1CC2C(OCCN2C(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)CC1
|
|
| MCULE-4008304199 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@H](OC(CC[C@H](C)CNC(C)=O)=O)[C@@H]2NC(C)=O)[H]
|
|
| MCULE-9603310040 |
0.62 |
[C@]12(C)CC(O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC1CCCO1)=O
|
|
| MCULE-7325367398 |
0.62 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(=O)NC(C)C(=O)NC(CCC)C(O)=O)=O)C)=O
|
|
| MCULE-4626637637 |
0.62 |
OC(CC1N(C(CN2C(=O)CCCCCC2)=O)CCOC1)=O
|
|
| MCULE-6572750810 |
0.62 |
CN(C(C1N(C(CN2C(=O)CCC2)=O)[C@@H]2[C@@H](OCC2)C1)=O)C
|
|
| MCULE-1212732885 |
0.62 |
COC(CC(C(N1CC2(CCCCC2)OCC1)=O)NC(C)=O)=O
|
|
| MCULE-9235614284 |
0.62 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@@]2(O)C(=O)COC(CCC(=O)N1CCCC1C(OC)=O)=O
|
|
| MCULE-1502951793 |
0.62 |
COC1C(=O)N(CC(N(CC2(CCOCC2)O)C)=O)CCCC1
|
|
| MCULE-8310265499 |
0.62 |
CC1(C(C2OCCC2)N(C(CNC(C2CCCCC2)=O)=O)C1)C
|
|
| MCULE-9099459992 |
0.62 |
CCOC1CC(CNC(CN2C(=O)C(OC)CCCC2)=O)(O)C1
|
|
| MCULE-3019032681 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CC(OC(CCC)=O)C2NC(C)=O
|
|
| MCULE-6105914324 |
0.62 |
OC(CC1(NC(CNC(CC2CCCCC2)=O)=O)COCC1)=O
|
|
| MCULE-4237029056 |
0.62 |
OC(CC1(NC(CNC(CCC2CCCC2)=O)=O)COCC1)=O
|
|
| MCULE-3770065271 |
0.62 |
OC(CC1(NC(CNC(CC23CC4CC(C2)CC(C4)C3)=O)=O)COCC1)=O
|
|
| MCULE-6443026204 |
0.62 |
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
|
|
| MCULE-5742217999 |
0.62 |
CCOC1C2(OCCC2)C(NC(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-3964544369 |
0.62 |
[C@H]1(OC)C[C@H]2O[C@](O)([C@H](C)CC2)C(C(N2CCC[C@H]2C(O[C@@H](CC([C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@@H](C=CC=CC=C1C)C)=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](OC)C1)=O)=O)=O
|
|
| MCULE-2492700452 |
0.62 |
C1(C(NCCN2CCOCC2)=O)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-4011178929 |
0.62 |
OC1C(C2N(CC(NCCC3CCCCC=3)=O)CCOC2)CCC1
|
|
| MolPort-000-793-092 |
0.62 |
CCCC(NC(=O)C(C)NC(=O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
|
|
| MolPort-019-699-719 |
0.62 |
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
|
|
| MolPort-002-527-707 |
0.62 |
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-002-530-346 |
0.62 |
CCCC(NC(=O)C(C)NC(=O)CCC(=O)OC1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O
|
|
| MolPort-002-516-968 |
0.62 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
|
|
| MolPort-041-704-010 |
0.62 |
OC(=O)CC1COCCN1C(=O)CN1CCCCCCC1=O
|
|
| MolPort-044-754-045 |
0.62 |
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-007-980-768 |
0.62 |
CCCCOC(=O)CCC(NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)NC(CCC(=O)OCCCC)C(=O)OCCCC)C2(C)C)C(=O)NC(CCC(=O)OCCCC)C(=O)OCCCC)C(O)C(O)C1O)C(=O)OCCCC
|
|
| MolPort-044-561-748 |
0.62 |
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
|
|
| MolPort-002-529-819 |
0.62 |
COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-000-788-556 |
0.62 |
COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-046-481-407 |
0.62 |
CN(C)C(=O)C1C[C@@H]2OCC[C@@H]2N1C(=O)CN1CCCC1=O
|
|
| MolPort-042-583-394 |
0.62 |
COC(=O)CC(NC(C)=O)C(=O)N1CCOC2(CCCCC2)C1
|
|
| MolPort-044-476-037 |
0.62 |
CCOC1CC(O)(CNC(=O)CN2CCCCC(OC)C2=O)C1
|
|
| MolPort-039-785-815 |
0.62 |
CC1(C)CN(C1C1CCCO1)C(=O)CNC(=O)C1CCCCC1
|
|
| MolPort-002-513-475 |
0.62 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CCO)CC4)[C@H]3C=C12
|
|
| MolPort-044-476-441 |
0.62 |
COC1CCCCN(CC(=O)N(C)CC2(O)CCOCC2)C1=O
|
|
| MolPort-000-837-125 |
0.62 |
CCCC(=O)OC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1NC(C)=O)OC(=O)CCC
|
|
| MolPort-000-831-641 |
0.62 |
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-002-529-184 |
0.62 |
CCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1NC(C)=O)OC(=O)CCC
|
|
| MolPort-046-596-553 |
0.62 |
CCCC(=O)O[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(=O)CCC
|
|
| MolPort-002-515-345 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2OC(=O)CCC(=O)NC1CCCCNC1=O
|
|
| MolPort-046-598-010 |
0.62 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(=O)NC1CCCCNC1=O
|
|
| MolPort-039-238-055 |
0.62 |
CC1CCCCC1OCCNC(=O)[C@H]1C[C@H](O)CN1C(C)=O
|
|
| MolPort-044-872-258 |
0.62 |
CCOC1CC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C11CCCO1
|
|
| MolPort-009-758-507 |
0.62 |
OC(=O)C(O)=O.CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCN(CC1)C1CCCCC1
|
|
| MolPort-039-169-065 |
0.62 |
OC1CCCC1C1COCCN1CC(=O)NCCC1=CCCCC1
|
|
| MolPort-001-544-138 |
0.62 |
OC(=O)C1C2OC(C=C2)C1C(=O)NCCN1CCOCC1
|
|
| MolPort-044-469-394 |
0.61 |
COC1CCCCN(CC(=O)N2CCOCC22CC2)C1=O
|
|
| MolPort-038-387-520 |
0.61 |
O=C(NC[C@@]12O[C@@H](C=C1)[C@H]1[C@@H]2C(=O)OC1=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-028-264-798 |
0.61 |
CCN(CC1CCOC1)C(=O)C1CCCCN1C(=O)C1CCCO1
|
|
| MolPort-028-299-503 |
0.61 |
O=C(CN(CC1CCCO1)C(=O)C1CC2CC1C=C2)N1CCCC1
|
|
| MolPort-046-761-457 |
0.61 |
[2H][13C]([2H])([2H])O[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C/C=C1\C)[C@H](C)CC1CC[C@@H](O)[C@@H](C1)OC
|
|
| MolPort-003-666-785 |
0.61 |
COC1CC(CC(C)C2CC(=O)C(C)\C=C(C)\C(O)C(OC)C(=O)C(C)CC(C)\C=C\C=C\C=C(C)\C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N3CCCCC3C(=O)O2)OC)CCC1O
|
|
| MolPort-003-850-130 |
0.61 |
[2H]C([2H])([2H])O[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C1/C)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](C1)OC
|
|
| MolPort-003-959-433 |
0.61 |
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
|
|
| MolPort-044-723-392 |
0.61 |
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
|
|
| MolPort-006-069-041 |
0.61 |
CO[C@@H]1C[C@@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
|
|
| MolPort-046-069-306 |
0.61 |
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C/C=C\C=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O
|
|
| MolPort-001-569-403 |
0.61 |
CC(NC(=O)C1C2OC(C=C2)C1C(O)=O)C1CCCO1
|
|
| MolPort-039-099-891 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(C3)C(C)C)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-099-902 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(CC(C)(C)C)C3)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-099-903 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(CC4CC4)C3)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-044-468-837 |
0.61 |
CNC(=O)C1(COC)CCCN1C(=O)CC1=CCCCC1
|
|
| MolPort-002-519-862 |
0.61 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CC4)C4CCCCC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-002-520-602 |
0.61 |
CCN1CCN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC1
|
|
| MCULE-3815512939 |
0.61 |
COC1C(=O)N(CC(N2C3(CC3)COCC2)=O)CCCC1
|
|
| MCULE-4965937381 |
0.61 |
CCN(C(C1N(C(C2OCCC2)=O)CCCC1)=O)CC1COCC1
|
|
| MCULE-4025467961 |
0.61 |
O=C(N1CCCC1)CN(C(C1C2C=CC(C2)C1)=O)CC1OCCC1
|
|
| MCULE-8475052378 |
0.61 |
C12(O)OC(CC(OC)C(C)=CC=CC=CC(C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=O)CC(C(C)CC3CCC(O)C(OC)C3)OC(=O)C3CCCCN3C(=O)C1=O)CCC2C
|
|
| MCULE-2557554141 |
0.61 |
C1[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@@H](OC)C[C@H]3O[C@](O)([C@H](C)CC3)C(=O)C(=O)N2CCC1)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](OC)C1
|
|
| MCULE-7980881185 |
0.61 |
C1(OC)C(O)CCC(CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(CC(C)C=CC=CC=C(C)C(OC)CC3OC(O)(C(=O)C(=O)N4C([H])(C(=O)O2)CCCC4)C(C)CC3)C)C1
|
|
| MCULE-9489638209 |
0.61 |
[C@@H]1(O)CC[C@@H](C[C@@H](C)[C@H]2OC(=O)[C@H]3N(C(=O)C(=O)[C@]4(O)O[C@H](C[C@H](OC)C(C)=CC=CC=C[C@@H](C)C[C@H](C(=O)[C@H](OC)[C@H](O)C(C)=C[C@@H](C)C(=O)C2)C)CC[C@H]4C)CCCC3)C[C@H]1OC
|
|
| MCULE-5633609254 |
0.61 |
O=C1[C@@]2(O[C@H](C[C@@H](C(=CC=CC=C[C@H](C[C@@H](C)C(=O)[C@@H]([C@@H](C(=C[C@@H](C)C(=O)C[C@@H]([C@@H](C[C@@H]3CC[C@@H](O)[C@H](OC)C3)C)OC(=O)[C@@H]3CCCCN3C1=O)C)O)OC)C)C)OC)CC[C@H]2C)O
|
|
| MCULE-2914853605 |
0.61 |
C1(C2C=CC(O2)C1C(O)=O)C(=O)NC(C)C1CCCO1
|
|
| MCULE-9934600687 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(C(C)C)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-1456553899 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(CC(C)(C)C)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-7496443611 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(C)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-8468935584 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(CC5CC5)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-4312324124 |
0.61 |
O=C(N[C@@]12CCO[C@@H]1CCC2)CN1C(=O)C2C(C3OC2CC3)C1=O
|
|
| MCULE-6454514493 |
0.61 |
CNC(C1(N(C(CC2CCCCC=2)=O)CCC1)COC)=O
|
|
| MCULE-2555692400 |
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(O)=O)CC(O)=O)=O
|
|
| MCULE-7843291455 |
0.61 |
COC1C(=O)N(CC(N2CC3(CCC3)OCC2)=O)CCCC1
|
|
| MCULE-5948872279 |
0.61 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2C3(COCC3)COCC2)=O)C1
|
|
| MCULE-2273376936 |
0.61 |
OC(C1(NC(CN2C(=O)CCCCCC2)=O)COCC1)=O
|
|
| MCULE-2048565966 |
0.61 |
OC(C1(NC(CN2C(=O)CCCCC2)=O)COCC1)=O
|
|
| MCULE-3244840524 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CC(OC(CC)=O)C2NC(C)=O
|
|
| MCULE-9044380541 |
0.61 |
C12[C@]3(C=C[C@H](O3)C1C(=O)N1CCN(C(=O)C1)CC)CN(C1CCCCCC1)C2=O
|
|
| MCULE-9426877468 |
0.61 |
C12[C@]3(C=C[C@H](O3)C1C(=O)N1CCNC(=O)C1)CN(C1CCCCCC1)C2=O
|
|
| MCULE-2455590072 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NCC1CCCO1)=O
|
|
| MCULE-9066494020 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(C5CCCCC5)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-2507743227 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(C5CCN(C)CC5)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-9515005011 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(C5CCNCC5)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-8484995390 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(C5CCN(C(=O)C)CC5)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-3588928893 |
0.61 |
COCC(N1[C@@H]2C(NC[C@@H]3[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H]4CN(CC5CCCCC5)[C@H](C(=O)N(C2)CC1)C4)=O)O3)=O)=O
|
|
| MCULE-9802505601 |
0.61 |
N1(CCCC2(CCOCC2)C1C(=O)N1CCCC1)C(COCC)=O
|
|
| MCULE-9740434777 |
0.61 |
COC1C(=O)N(CC(N2CC3(COCC3)C2)=O)CCCC1
|
|
| MCULE-7909708418 |
0.61 |
N1(CCCCCC1=O)CC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1
|
|
| MCULE-9217363933 |
0.61 |
N1(CCCCCC1=O)CC(=O)N[C@@H]1CCOC[C@H]1OC/C=C(\C)/C
|
|
| MCULE-8416463293 |
0.61 |
CC(C(N1CC2C3C=CC(C2C1)O3)=O)NC(CC1CCCCC1)=O
|
|
| MCULE-7183386409 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(CCC(=O)N1CCCC1C(OC)=O)=O
|
|
| MCULE-9770948691 |
0.61 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)N1CCCC1C(O)=O)=O
|
|
| MCULE-9854147923 |
0.61 |
COC1C(=O)N(CC(N2C(C)(C)COC(C)(C)C2)=O)CCCC1
|
|
| MCULE-3553064984 |
0.61 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCNC(=O)C1)CCC(C)C
|
|
| MCULE-5488220456 |
0.61 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCNC(=O)C1)CC(CC)CC
|
|
| MCULE-1406488697 |
0.61 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCNC(=O)C1)CC(C)(C)C
|
|
| MCULE-5836194244 |
0.61 |
C12[C@]3(C=C[C@H](O3)C1C(=O)N1CCNC(=O)C1)CN(C(CC)CC)C2=O
|
|
| MCULE-4908744883 |
0.61 |
COC(C1(NC(C2C3(COCC3)C2)=O)COCC1)=O
|
|
| MCULE-5310982586 |
0.61 |
CC(OC1CCC(NC([C@H]2N[C@@H]3[C@@H](OCC3)C2)=O)CC1)C
|
|
| MCULE-3149308803 |
0.61 |
C12(NC(=O)C(C)C1O)C(OC2C(C)C)=O
|
|
| MCULE-6944633382 |
0.61 |
N1(CCOCC1CC(OC)=O)C(=O)C1CCCCCN1
|
|
| MCULE-2497852264 |
0.61 |
CCOC(C(C1COCCC1)NC(C1CN(C)CCN(C)C1)=O)=O
|
|
| MCULE-2005253958 |
0.61 |
OC(C1(N2CCN(C(CC3CCCCC=3)=O)CC2)COCC1)=O
|
|
| MCULE-5216735661 |
0.61 |
CN(CCNC(C(C(C(C(C(NCCN(C)C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)=O)C
|
|
| MCULE-6046819249 |
0.61 |
N1(CC(CC1C(O)=O)O)C(CCC(=O)OCC(=O)[C@@]1(O)CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(C=C1CC3)=O)=O
|
|
| MCULE-7269781496 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(CCC(=O)N1CC(CC1C(O)=O)O)=O
|
|
| MCULE-2827669869 |
0.61 |
C1(C(=O)NCC2CCCO2)C2C=CC(O2)C1C(O)=O
|
|
| MCULE-4999976063 |
0.61 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)C)C2=O
|
|
| MCULE-6387768884 |
0.61 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CC(C)C)C2=O
|
|
| MCULE-9630400916 |
0.61 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCC)C2=O
|
|
| MCULE-3102462677 |
0.61 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)CC)C2=O
|
|
| MolPort-000-788-344 |
0.61 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC(CC(O)=O)C(O)=O
|
|
| MolPort-002-530-027 |
0.61 |
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)C(O)=O
|
|
| MolPort-046-765-221 |
0.61 |
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
|
|
| MolPort-044-482-378 |
0.61 |
COC1CCCCN(CC(=O)N2CCOC3(CCC3)C2)C1=O
|
|
| MolPort-000-841-878 |
0.61 |
CCC(=O)OC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1NC(C)=O)OC(=O)CC
|
|
| MolPort-044-872-344 |
0.61 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)N1CCOCC11CCOC1
|
|
| MolPort-002-528-901 |
0.61 |
CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1NC(C)=O)OC(=O)CC
|
|
| MolPort-046-596-540 |
0.61 |
CCC(=O)O[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(=O)CC
|
|
| MolPort-019-699-746 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCO1
|
|
| MolPort-023-269-294 |
0.61 |
CCN1CCN(CC1=O)C(=O)C1[C@H]2O[C@]3(CN(C4CCCCCC4)C(=O)C13)C=C2
|
|
| MolPort-023-252-527 |
0.61 |
O=C(C1[C@H]2O[C@]3(CN(C4CCCCCC4)C(=O)C13)C=C2)N1CCNC(=O)C1
|
|
| MolPort-002-529-551 |
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)NCC1CCCO1
|
|
| MolPort-038-392-289 |
0.61 |
O=C(CN1CCCCCC1=O)N[C@@H]1CCOC[C@H]1OCC1CCC1
|
|
| MolPort-039-099-898 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(C3)C3CCNCC3)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-099-896 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(C3)C3CCN(CC3)C(C)=O)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-099-904 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(CC4CCCCC4)C3)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-099-895 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(C3)C3CCN(C)CC3)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-046-613-169 |
0.61 |
CCOCC(=O)N1CCCC2(CCOCC2)C1C(=O)N1CCCC1
|
|
| MolPort-039-099-893 |
0.61 |
COCC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@H](N(C3)C3CCCCC3)C2=O)[C@H](O)[C@@H]1O
|
|
| MolPort-044-469-395 |
0.61 |
COC1CCCCN(CC(=O)N2CC3(C2)CCOC3)C1=O
|
|
| MolPort-038-412-954 |
0.61 |
CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN1CCCCCC1=O
|
|
| MolPort-040-580-902 |
0.61 |
CC(NC(=O)CC1CCCCC1)C(=O)N1CC2C(C1)C1OC2C=C1
|
|
| MolPort-000-807-156 |
0.61 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCCC1C(O)=O
|
|
| MolPort-002-528-326 |
0.61 |
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)N1CCCC1C(O)=O
|
|
| MolPort-000-762-557 |
0.61 |
COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-527-786 |
0.61 |
COC(=O)C1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-518-190 |
0.61 |
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3CC12O
|
|
| MolPort-023-270-666 |
0.61 |
CCC(CC)N1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCNC(=O)C1
|
|
| MolPort-023-268-766 |
0.61 |
CC(C)(C)CN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCNC(=O)C1
|
|
| MolPort-046-091-801 |
0.61 |
COC(=O)C1(CCOC1)NC(=O)C1CC11CCOC1
|
|
| MolPort-044-468-163 |
0.61 |
COC1CCCCN(CC(=O)N2CC(C)(C)OCC2(C)C)C1=O
|
|
| MolPort-023-250-308 |
0.61 |
CCC(CC)CN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCNC(=O)C1
|
|
| MolPort-046-481-199 |
0.61 |
CC(C)OC1CCC(CC1)NC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1
|
|
| MolPort-023-250-823 |
0.61 |
CC(C)CCN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCNC(=O)C1
|
|
| MolPort-044-470-101 |
0.61 |
OC(=O)C1(CCOC1)N1CCN(CC1)C(=O)CC1=CCCCC1
|
|
| MolPort-004-413-417 |
0.61 |
CN(C)CCNC(=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(=O)NCCN(C)C
|
|
| MolPort-035-757-094 |
0.61 |
CCCCOC(=O)[C@@H]1[C@H]2OC3(CN(CC(C)C)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-517-118 |
0.61 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCC)C(=O)[C@H]13)C=C2
|
|
| MolPort-000-795-998 |
0.61 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)CC)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-637-323 |
0.61 |
CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
|
|
| MolPort-038-387-516 |
0.61 |
CC(C)(C)C(=O)NC[C@@]12O[C@@H](C=C1)[C@H]1[C@@H]2C(=O)OC1=O
|
|
| MolPort-000-798-140 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CC(O)CC1C(O)=O
|
|
| MolPort-035-757-099 |
0.61 |
CCCCOC(=O)[C@@H]1[C@H]2OC3(CN(CCCC)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-517-116 |
0.61 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC(C)C)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-342-456 |
0.61 |
CCCCOC(=O)C1C2OC3(CN(C(C)CC)C(=O)C13)C=C2
|
|
| MolPort-002-517-136 |
0.61 |
CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCC)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-530-154 |
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)N1CC(O)CC1C(O)=O
|
|
| MolPort-002-342-409 |
0.61 |
CCCCOC(=O)C1C2OC3(CN(C(C)C)C(=O)C13)C=C2
|
|
| MolPort-002-623-121 |
0.61 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-532-183 |
0.61 |
CC(=O)N1CCN(CC2[C@H]3C=C4C(C)=CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-001-491-700 |
0.61 |
OC(=O)C1C2OC(C=C2)C1C(=O)NCC1CCCO1
|
|
| MolPort-000-768-818 |
0.61 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(=O)N1CC(O)CC1C(O)=O
|
|
| MolPort-002-527-699 |
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)N1CC(O)CC1C(O)=O
|
|
| MolPort-000-778-762 |
0.60 |
COC(=O)[C@@H](CC(C)C)NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CC(C)C)C(=O)OC)C2(C)C)C(=O)N[C@H](CC(C)C)C(=O)OC)C(O)C(O)C1O
|
|
| MolPort-002-527-764 |
0.60 |
COC(=O)[C@@H](CC(C)C)NC(=O)C1OC(OC2C(O)C(O)C(OC2O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3C(=O)C=C3[C@H]5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CC(C)C)C(=O)OC)C2(C)C)C(=O)N[C@H](CC(C)C)C(=O)OC)C(O)C(O)C1O
|
|
| MolPort-002-915-521 |
0.60 |
CCOC(=O)CNC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O
|
|
| MolPort-002-530-656 |
0.60 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCN(CC1)C1CCCCC1
|
|
| MolPort-006-109-439 |
0.60 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O
|
|
| MolPort-002-521-847 |
0.60 |
CN1CCN(CC2[C@H]3CC4=C(C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-039-099-763 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@@H]3CN[C@@H](C3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-039-099-926 |
0.60 |
CCCN1C[C@@H]2C[C@H]1C(=O)N1CCN([C@@H](C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2)[C@H](O)[C@@H]1O)C(=O)C1CCOCC1
|
|
| MolPort-039-099-768 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(C3)C3CCOCC3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-039-099-775 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(CC4CC4)C3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-039-099-774 |
0.60 |
CC(C)(C)CN1C[C@@H]2C[C@H]1C(=O)N1CCN([C@@H](C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2)[C@H](O)[C@@H]1O)C(=O)C1CCOCC1
|
|
| MolPort-039-099-773 |
0.60 |
CN1C[C@@H]2C[C@H]1C(=O)N1CCN([C@@H](C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2)[C@H](O)[C@@H]1O)C(=O)C1CCOCC1
|
|
| MolPort-039-099-764 |
0.60 |
CC(C)N1C[C@@H]2C[C@H]1C(=O)N1CCN([C@@H](C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2)[C@H](O)[C@@H]1O)C(=O)C1CCOCC1
|
|
| MolPort-045-997-312 |
0.60 |
OC(=O)[C@@H]1OCC[C@@H]1NC(=O)CN1CCCCCC1=O
|
|
| MolPort-039-139-131 |
0.60 |
CCCC\C=C/CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
|
|
| MolPort-002-531-960 |
0.60 |
CC1CN(CC2[C@H]3C=C4[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-023-257-783 |
0.60 |
CCN1CCN(CC1=O)C(=O)C1[C@H]2O[C@]3(CN(CCOC)C(=O)C13)C=C2
|
|
| MolPort-023-262-842 |
0.60 |
CCOCCN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCNC(=O)C1
|
|
| MolPort-044-561-712 |
0.60 |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O
|
|
| MolPort-000-820-347 |
0.60 |
CC(CNC(=O)C12CC[C@](C)(C(=O)O1)C2(C)C)NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C
|
|
| MolPort-002-904-283 |
0.60 |
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
|
|
| MolPort-005-944-193 |
0.60 |
CCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)C)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
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|
| MolPort-023-272-034 |
0.60 |
CC(=O)NCCN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCCCCCC1
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|
| MolPort-002-617-180 |
0.60 |
CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
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|
| MolPort-002-618-070 |
0.60 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CCCOC)C(=O)[C@H]13)C=C2
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|
| MolPort-023-263-097 |
0.60 |
CC(=O)NCCN1C[C@@]23O[C@@H](C=C2)C(C3C1=O)C(=O)N1CCCCCC1
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|
| MolPort-000-804-978 |
0.60 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4CCCO4)C(=O)[C@H]13)C=C2
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|
| MolPort-002-342-439 |
0.60 |
CCCCCOC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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|
| MolPort-002-731-003 |
0.60 |
CCCCCOC(=O)C1C2OC3(CN(CCCOC(C)C)C(=O)C13)C=C2
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|
| MolPort-000-791-950 |
0.60 |
CCCCOC(=O)C1C2OC3(CN(C4CCCCC4)C(=O)C13)C=C2
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|
| MolPort-002-528-118 |
0.60 |
CC(C)(C)OC(=O)[C@@H](CCC(O)=O)NC(=O)C1OC(OC2C(O)C(O)C(OC2O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3C(=O)C=C3[C@H]5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CCC(O)=O)C(=O)OC(C)(C)C)C2(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)OC(C)(C)C)C(O)C(O)C1O
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|
| MolPort-020-065-007 |
0.60 |
CCC(=O)C(C)OC(=O)[C@@H]1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2
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|
| MolPort-039-099-771 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(C3)C3CCNCC3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
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|
| MolPort-007-980-781 |
0.60 |
COC(=O)CCC(NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)NC(CCC(=O)OC)C(=O)OC)C2(C)C)C(=O)NC(CCC(=O)OC)C(=O)OC)C(O)C(O)C1O)C(=O)OC
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|
| MolPort-000-751-532 |
0.60 |
CC(C)C(NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C)C(=O)NC(CS)C(O)=O
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|
| MolPort-002-530-100 |
0.60 |
COC(=O)C1CCCN1C(=O)CCC(=O)OC1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-002-530-240 |
0.60 |
COC(=O)CC[C@H](NC(=O)C1OC(OC2C(O)C(O)C(OC2O[C@@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3C(=O)C=C3[C@H]5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CCC(=O)OC)C(=O)OC)C2(C)C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)C(O)C(O)C1O)C(=O)OC
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|
| MolPort-040-632-006 |
0.60 |
CC(=O)N[C@H](CC1CCC1)C(=O)N1CC2C3OC(C=C3)C2C1
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|
| MolPort-000-769-295 |
0.60 |
CC(C)(C)OC(=O)[C@@H](CCC(O)=O)NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CCC(O)=O)C(=O)OC(C)(C)C)C2(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)OC(C)(C)C)C(O)C(O)C1O
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|
| MolPort-000-766-739 |
0.60 |
COC(=O)CC[C@H](NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CCC(=O)OC)C(=O)OC)C2(C)C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)C(O)C(O)C1O)C(=O)OC
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|
| MolPort-039-167-081 |
0.60 |
CO[C@H]1C[C@H](N(C1)C(=O)CC1=CCCCC1)C(N)=O
|
|
| MolPort-039-099-770 |
0.60 |
CC(=O)N1CCC(CC1)N1C[C@@H]2C[C@H]1C(=O)N1CCN([C@@H](C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2)[C@H](O)[C@@H]1O)C(=O)C1CCOCC1
|
|
| MolPort-000-777-049 |
0.60 |
COC(=O)CC[C@@H](NC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)N[C@H](CCC(=O)OC)C(=O)OC)C2(C)C)C(=O)N[C@H](CCC(=O)OC)C(=O)OC)C(O)C(O)C1O)C(=O)OC
|
|
| MolPort-002-521-403 |
0.60 |
CCOC(=O)N1CCN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC1
|
|
| MolPort-027-957-456 |
0.60 |
CC(C)C(N1CCCC1=O)C(=O)OCC1CCC=CC1
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|
| MolPort-039-099-924 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(C3)C3CCCC3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-035-845-668 |
0.60 |
CC(NC(=O)CC1CCCCC1)C(=O)N1CCOCC2(CC2)C1
|
|
| MolPort-038-385-996 |
0.60 |
CCCCCCC(O)CCCCCC\C=C\[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(C)=O)C(O)=O
|
|
| MolPort-002-513-541 |
0.60 |
CN(CC1OCCO1)CC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-039-099-765 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(C3)C3CCC3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-002-310-879 |
0.60 |
CC1=C(C)CC(C(C1)C(O)=O)C(=O)N1CCN(CC1)C(=O)C1CCCO1
|
|
| MolPort-039-099-766 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(C3)C3CCCCC3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-039-099-767 |
0.60 |
O[C@H]1[C@@H](O)[C@@H]2CC(=O)N[C@H]3C[C@H](N(CC4CCCCC4)C3)C(=O)N3CCN([C@@H](C3)C(=O)NC[C@H]1O2)C(=O)C1CCOCC1
|
|
| MolPort-039-099-769 |
0.60 |
CN1CCC(CC1)N1C[C@@H]2C[C@H]1C(=O)N1CCN([C@@H](C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2)[C@H](O)[C@@H]1O)C(=O)C1CCOCC1
|
|
| MolPort-016-602-067 |
0.60 |
COC(=O)[C@H]1C[C@@H](O)CCN1C(=O)CN1C[C@H](C)O[C@H](C)C1
|
|
| MCULE-5927637789 |
0.60 |
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
|
|
| MCULE-9625660791 |
0.60 |
[C@H]1([C@@H](C(=O)N[C@H](C(NCCC(C)C)=O)CC(C)C)O1)C(=O)OCC
|
|
| MCULE-6068450272 |
0.60 |
CC(C(N1CCCCC1)=O)NC(COC(C1(CCCCC1)O)=O)=O
|
|
| MCULE-1136017760 |
0.60 |
CC(C(N(CC(N1CC(C(=O)O)CCC1)=O)C)=O)OC1CCCCCC1
|
|
| MCULE-9917733733 |
0.60 |
CN(C(C1OCCCC1)=O)CC(N1CC(C(=O)O)CCC1)=O
|
|
| MCULE-8614093193 |
0.60 |
COCCC1(C(N2CCN(C3(C(O)=O)COCC3)CC2)=O)CCCC1
|
|
| MCULE-5416463833 |
0.60 |
CCC(C(N(CC(N1CC(C(=O)O)CCC1)=O)C)=O)OC1CCCCC1
|
|
| MCULE-4790094156 |
0.60 |
COC(C1N(C(C(N2CCOCC2)C)=O)CCCC1O)=O
|
|
| MCULE-6314145305 |
0.60 |
COCC1(CN(C(CN2C(=O)C(OC)CCCC2)=O)C1)O
|
|
| MCULE-9386886849 |
0.60 |
C12[C@]3(C=C[C@H](O3)C1C(=O)N1CCN(CC1)CC(N)=O)CN(C(C)(C)C)C2=O
|
|
| MCULE-6381138790 |
0.60 |
COCCC(N1CC2(OCCN(C(CN3C(=O)CCCCC3)=O)C2)CCC1)=O
|
|
| MCULE-5459466067 |
0.60 |
O=C(NCCC1CCCCC=1)CN1CC2(CCOCC2)OCC1
|
|
| MCULE-2356912587 |
0.60 |
CC(NC1(C(N2CC(C)(C)OC3(COCC3)C2)=O)CCCCC1)=O
|
|
| MCULE-1659344270 |
0.60 |
CC1OCC2(C(=O)NC(=O)CN2)CC1
|
|
| MCULE-9012959052 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCN(C)C)CNC(=O)C1CC1
|
|
| MCULE-8372576901 |
0.60 |
CCOCCO[C@H]1[C@H](OC)C[C@H](C[C@@H](C)[C@H]2OC(=O)[C@H]3N(CCCC3)C(=O)C(=O)[C@]3(O)O[C@@H](CC[C@H]3C)C[C@H](OC)C(C)=CC=CC=C[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)C(C)=C[C@@H](C)C(=O)C2)CC1
|
|
| MCULE-5614523535 |
0.60 |
CC(C(N1C(C2C(=O)CCCC2)COCC1)=O)NC(C(C)(C)C)=O
|
|
| MCULE-4859463589 |
0.60 |
CC(C(NC1C(=O)OC(C)C1)=O)NC(CC1CCCCC1)=O
|
|
| MCULE-9207144781 |
0.60 |
O=C1[C@]2([C@@H](CC[C@](C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@H](OC)[C@H](O)C(C)=C[C@@H](C)C(=O)C[C@@H]([C@@H](C[C@@H]3CC[C@@H](OCCO)[C@H](OC)C3)C)OC(=O)[C@@]3([H])N(CCCC3)C1=O)C)C)C)OC)([H])O2)C)O
|
|
| MCULE-8059780678 |
0.60 |
OC1C(C2N(C(CN3C(=O)CCCC3)=O)CCOC2)CCC1
|
|
| MCULE-4380336456 |
0.60 |
C(CO[C@@H]1CC[C@@H](C[C@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C[C@H](C)C=CC=CC=C(C)[C@@H](OC)C[C@H]3O[C@](O)([C@H](C)CC3)C(=O)C(=O)N3[C@H](C(=O)O2)CCCC3)C)C[C@H]1OC)O
|
|
| MCULE-2718978316 |
0.60 |
C(CO[C@@H]1CC[C@@H](C[C@H](C)[C@@H]2CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C[C@H](C)C=CC=CC=C(C)[C@@H](OC)C[C@H]3O[C@](O)([C@H](C)CC3)C(=O)C(=O)N3[C@H](C(=O)O2)CCCC3)C)C[C@H]1OC)O
|
|
| MCULE-1575968427 |
0.60 |
N12CCCC[C@H]1C(=O)O[C@@H](CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C(C)[C@@H](OC)C[C@@H]1CC[C@@H](C)[C@@](O)(O1)C(=O)C2=O)[C@H](C)C[C@@H]1CC[C@@H](OCCO)[C@H](OC)C1
|
|
| MCULE-3333378638 |
0.60 |
OC(C1CC2(OC(CNC(C3CCC=CCC3)=O)CC2)C1)=O
|
|
| MCULE-2321333224 |
0.60 |
C[C@H]1[C@@]2(O)O[C@H](C[C@H](OC)C(C)=CC=CC=C[C@@H](C)C[C@@H](C)C([C@H](OC)[C@H](O)C(C)=C[C@@H](C)C(C[C@@H]([C@H](C[C@H]3C[C@@H](OC)[C@H](OCCO)CC3)C)OC([C@H]3N(C(C2=O)=O)CCCC3)=O)=O)=O)CC1
|
|
| MCULE-8327852780 |
0.60 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(CC=C)C2C(=O)NC1CCCCC1)=O)O3
|
|
| MCULE-8910460463 |
0.60 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(CC=C)C2C(=O)NC1CCCC1)=O)O3
|
|
| MCULE-9443243913 |
0.60 |
CCC(C(N(CC(N1CC(C(=O)O)CCC1)=O)C)=O)OC1CC(C)CCC1
|
|
| MCULE-4422116834 |
0.60 |
[C@H](OC(=O)C)([C@H](OC(=O)C)C(=O)NCC(=O)OCC)[C@@H](OC(=O)C)[C@@H](OC(=O)C)COC(=O)C
|
|
| MCULE-5548499656 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(C4CCOCC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-3989553228 |
0.60 |
CC(N1[C@@H]2C(N3C[C@@H](C(NC[C@@H]4[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H](C2)C1)=O)O4)=O)N(C(C1CCOCC1)=O)CC3)=O)C
|
|
| MCULE-9455871229 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(CC4CC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-5087183110 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@H]3C[C@@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)NC3)=O)[C@@H]1O
|
|
| MCULE-7576884057 |
0.60 |
CCCN1[C@@H]2C(N3C[C@@H](C(NC[C@@H]4[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H](C2)C1)=O)O4)=O)N(C(C1CCOCC1)=O)CC3)=O
|
|
| MCULE-6150090483 |
0.60 |
CC(CN1[C@@H]2C(N3C[C@@H](C(NC[C@@H]4[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H](C2)C1)=O)O4)=O)N(C(C1CCOCC1)=O)CC3)=O)(C)C
|
|
| MCULE-7777882575 |
0.60 |
CN1[C@@H]2C(N3C[C@@H](C(NC[C@@H]4[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H](C2)C1)=O)O4)=O)N(C(C1CCOCC1)=O)CC3)=O
|
|
| MCULE-1011783579 |
0.60 |
OC([C@H]1[C@@H](NC(CN2C(=O)CCCCC2)=O)CCO1)=O
|
|
| MCULE-5775610844 |
0.60 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCN(C(=O)C1)CC)CCOC
|
|
| MCULE-4195345422 |
0.60 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCNC(=O)C1)CCOCC
|
|
| MCULE-7779543145 |
0.60 |
CN1C(C(N2CCC3(CCOCC3)OCC2)=O)(C)CC(O)C1
|
|
| MCULE-7133719821 |
0.60 |
C1(NC(C(C)CC)C(=O)N(C)C(C(C)C)C(N(C)C(C)C(=O)NCCC(OC(C(N2C1CCC2)=O)CC(C)C)=O)=O)=O
|
|
| 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-4232648029 |
0.60 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCOC)C2=O
|
|
| MCULE-6011032495 |
0.60 |
C12C(C(OCCCCC)=O)C3C=CC1(CN(CCCOC(C)C)C2=O)O3
|
|
| MCULE-6808085592 |
0.60 |
C12C(C(OCCCCC)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
|
|
| MCULE-8356398592 |
0.60 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCCCCC1)CCNC(C)=O
|
|
| MCULE-7509143849 |
0.60 |
C12C(=O)N(C[C@]31C=C[C@H](O3)C2C(=O)N1CCCCCCC1)CCNC(C)=O
|
|
| MCULE-1656360650 |
0.60 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C1CCCCC1)C2=O
|
|
| MCULE-2883765868 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(CC4CCCCC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-6197931372 |
0.60 |
CN1CCC(N2[C@@H]3C(N4C[C@@H](C(NC[C@@H]5[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H](C3)C2)=O)O5)=O)N(C(C2CCOCC2)=O)CC4)=O)CC1
|
|
| MCULE-3069167316 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(C4CCCCC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-6908253903 |
0.60 |
CC(N1CCC(N2[C@@H]3C(N4C[C@@H](C(NC[C@@H]5[C@@H](O)[C@@H](O)[C@H](CC(N[C@@H](C3)C2)=O)O5)=O)N(C(C2CCOCC2)=O)CC4)=O)CC1)=O
|
|
| MCULE-1251449674 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(C4CCNCC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-7003341672 |
0.60 |
C1(CC(C)=C(CC1C(O)=O)C)C(=O)N1CCN(CC1)C(=O)C1CCCO1
|
|
| MCULE-4158676275 |
0.60 |
CC(C(N1CC2(CC2)COCC1)=O)NC(CC1CCCCC1)=O
|
|
| MCULE-1808965551 |
0.60 |
CC(N[C@@H](C(N1CC2C3C=CC(C2C1)O3)=O)CC1CCC1)=O
|
|
| MCULE-9833661088 |
0.60 |
CCCCCCC(O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](NC(=O)C)C(O)=O
|
|
| MCULE-8895862658 |
0.60 |
CC(C(C(OCC1CC=CCC1)=O)N1C(=O)CCC1)C
|
|
| MCULE-3348572922 |
0.60 |
CCOC1C2(OCCC2)C(NC([C@@H](N(C)C)CC)=O)C1
|
|
| MCULE-4528603716 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(C4CCCC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-6857907805 |
0.60 |
O[C@@H]1[C@@H]2O[C@@H](CC(N[C@@H]3CN(C4CCC4)[C@H](C(N4C[C@@H](C(NC2)=O)N(C(C2CCOCC2)=O)CC4)=O)C3)=O)[C@@H]1O
|
|
| MCULE-8603171959 |
0.60 |
N1(CC[C@@H](C[C@@H]1C(OC)=O)O)C(=O)CN1C[C@H](C)O[C@H](C)C1
|
|
| MCULE-5486014768 |
0.60 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(=O)NC(C(C)C)C(=O)NC(CS)C(O)=O)=O
|
|
| MCULE-2420386812 |
0.60 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(CC=C)C2C(=O)NC1CCCC1)=O)(C)O3
|
|
| MCULE-9192585411 |
0.60 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(CC=C)C2C(=O)NC(C)(C)C)=O)O3
|
|
| MCULE-5779950308 |
0.60 |
C123C=CC(C(C(=O)NC4CCCCC4)C1C(N(CC=C)C2C(=O)NC(C)(C)C)=O)(C)O3
|
|
| MCULE-8189020677 |
0.60 |
C123C=CC(C(C(=O)NC4CCCC4)C1C(N(CC=C)C2C(=O)NC1CCCC1)=O)O3
|
|
| MCULE-7732819166 |
0.60 |
C123C=CC(C(C(=O)NC4CCCCC4C)C1C(N(CC=C)C2C(=O)NC(C)(C)C)=O)O3
|
|
| MCULE-9919533839 |
0.60 |
C123C=CC(C(C(=O)NC4CCCCC4C)C1C(N(CC=C)C2C(=O)NC(C)(C)C)=O)(C)O3
|
|
| MCULE-6351406434 |
0.60 |
[C@@]12([H])C(C(OCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCC)C2=O
|
|
| MCULE-3787527826 |
0.60 |
[C@]12([H])C(=O)N(C[C@@]31C=C[C@@H](O3)C2C(=O)OC(C)C)CCCC
|
|
| MCULE-7890566776 |
0.60 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(C(C)C)C2=O
|
|
| MCULE-1850288449 |
0.60 |
C12C(=O)N(CC31C=CC(O3)C2C(=O)OC(C)C)CC(C)C
|
|
| MCULE-3027018602 |
0.60 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(CC(C)C)C2=O
|
|
| MCULE-8003925687 |
0.60 |
C12C(C3OC1(C=C3)CN(C(C)CC)C2=O)C(=O)OC(C)C
|
|
| MCULE-6429255800 |
0.60 |
CC1C(OCCNC(CN2C(=O)C3C(C4C=CC3C4)C2=O)=O)CCCC1
|
|
| MCULE-4679182729 |
0.60 |
N1(CC(CC1C(O)=O)O)C(CCC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(C=C1CC3)=O)=O
|
|
| MCULE-6964096773 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCN(C)C)CNC(=O)COC
|
|
| MCULE-1679748834 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCN1CCOCC1)CNC(=O)C1CC1
|
|
| MCULE-2603965399 |
0.60 |
CCOC(C1CN(CC(N[C@H]2COCCC2)=O)CCC1)=O
|
|
| MCULE-3088753020 |
0.60 |
OC1C(=O)N(CC(N2C3(CC3)COCC2)=O)CCCC1
|
|
| MCULE-7060709135 |
0.60 |
C123C=CC(C(C(=O)NC)C1C(N(CC#C)C2C(=O)NC1CCCCC1)=O)O3
|
|
| MCULE-5351695278 |
0.60 |
C123C=CC(C(C(=O)NC)C1C(N(CC#C)C2C(=O)NC1CCCC1)=O)O3
|
|
| MCULE-8945796987 |
0.60 |
C(=O)(NCC1(COCC1)OCCO)C(NCCC1CCCCC=1)=O
|
|
| MCULE-9413943175 |
0.60 |
[C@H](NC(=O)[C@H]1O[C@@H]1C(OCC)=O)(CC(C)C)C(NCCC(C)C)=O
|
|
