| MolPort-046-153-066 |
0.69 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MolPort-019-936-918 |
0.67 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MCULE-7547592688 |
0.67 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MolPort-042-175-044 |
0.62 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)CC1=CCCCC1
|
|
| MolPort-046-733-633 |
0.62 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)CC1CCCC=C1
|
|
| MolPort-002-534-148 |
0.62 |
COC1=C2C(CC(C)(NC=O)C(=O)CC3CCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-595-373 |
0.62 |
CNC(=O)C1CC2=C(CN1C(=O)CC1(CCOCC1)N1C=CC=C1)C=C(OC)C(OC)=C2
|
|
| MolPort-039-195-208 |
0.62 |
CNC(=O)[C@@H]1CC2=C(CN1C(=O)CC1(CCOCC1)N1C=CC=C1)C=C(OC)C(OC)=C2
|
|
| MCULE-7700541184 |
0.62 |
N1(CC2C=CC=CC=2CC1C(=O)NCC1=CC=C2C(OCO2)=C1)CC1=CC=CC=C1O |
|
| MCULE-4388586177 |
0.62 |
COC1C=C2C(C(N(C(CC3CCCCC=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-9215268019 |
0.62 |
C12=C(CCN(C)C1CC(C)(NC=O)C(=O)CC1CCCC1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3860858775 |
0.62 |
N1(CC2=CC(OC)=C(C=C2CC1C(NC)=O)OC)C(=O)CC1(CCOCC1)N1C=CC=C1
|
|
| MCULE-5844676534 |
0.62 |
N1(CC2=CC(OC)=C(C=C2C[C@@]1([H])C(NC)=O)OC)C(=O)CC1(CCOCC1)N1C=CC=C1
|
|
| MCULE-7808942263 |
0.62 |
COC1C=C2C(C(N(C(C3C4C=CC(C4)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-4441611207 |
0.62 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC(NC1CCCC1)=O)=O
|
|
| MCULE-9698194808 |
0.62 |
[C@@]12([H])C(C(NCCC3=CC=C(C(OC)=C3)OC)=O)[C@@]3(O[C@]1(C=C3)CN(CC1=CC=C3C(OCO3)=C1)C2=O)[H]
|
|
| MCULE-3563444987 |
0.62 |
N1(CC2=CC(OC)=C(C=C2C[C@H]1C(N)=O)OC)C(=O)CC1(CCOCC1)N1C=CC=C1
|
|
| MolPort-009-791-067 |
0.62 |
COC(=O)CC1N(CC(=O)NC2CCCC2)CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-002-535-765 |
0.62 |
COC1=CC=C(CCNC(=O)C2C3OC4(CN(CC5=CC=C6OCOC6=C5)C(=O)C24)C=C3)C=C1OC
|
|
| MolPort-046-597-103 |
0.62 |
COC1=CC=C(CCNC(=O)C2[C@@H]3O[C@@]4(CN(CC5=CC=C6OCOC6=C5)C(=O)[C@H]24)C=C3)C=C1OC
|
|
| MolPort-039-195-092 |
0.62 |
COC1=CC2=C(CN([C@@H](C2)C(N)=O)C(=O)CC2(CCOCC2)N2C=CC=C2)C=C1OC
|
|
| MolPort-005-073-489 |
0.61 |
COC1=CC(=CC2=C1OCO2)[C@@H]1C[C@H]2CN(CCC3=CC=CC=C3)C(=O)[C@]22CCCN12
|
|
| MCULE-2529321056 |
0.61 |
N1(CCCC(=O)NCC2=CC=C3C(OCO3)=C2)C(=O)[C@]2(N(CC3=C(C=CC=C3)C2)C1=O)[H] |
|
| MolPort-007-610-361 |
0.61 |
COC1=C(OC)C=C2C3C(C(=O)NCCC4=CCCCC4)C4=C(C=CC=C4)C(=O)N3CCC2=C1
|
|
| MolPort-046-763-216 |
0.61 |
CCCCN(CCCC)C(=O)CN1CC(C(C1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-046-628-953 |
0.61 |
CCCCN(CCCC)C(=O)CN1C[C@H]([C@@H]([C@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-513-244 |
0.61 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-598-105 |
0.61 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-5871538604 |
0.61 |
C12(CN(CC1C1=C(C(OC)=C(C(OC)=C1)OC)CN2)C)C(O)=O
|
|
| MCULE-9093896477 |
0.61 |
N12CCC[C@]31[C@](C[C@H]2C1=CC(OC)=C2C(OCO2)=C1)([H])CN(CCC1=CC=CC=C1)C3=O
|
|
| MCULE-1574445963 |
0.61 |
O=C(O)[C@@H]1[C@@H](C2C=C3OCOC3=CC=2)CN(CC(=O)N(CCCC)CCCC)[C@H]1C1C=CC(OC)=CC=1
|
|
| MCULE-8114560618 |
0.61 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1C(C1=CC=CC=C1C2=O)C(NCCC1CCCCC=1)=O
|
|
| MCULE-2335891193 |
0.61 |
C12(CN(CC1C1=C(C=C(C(OC)=C1)OC)CN2)C)C(O)=O
|
|
| MCULE-5868667609 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC(N1CCC(C)CC1)=O)=O
|
|
| MCULE-3246730241 |
0.61 |
N1(CCCC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@]32[H])C(=O)[C@H]2N(CC3C(=CC(=C(OC)C=3)OC)C2)C1=O
|
|
| MCULE-1516447878 |
0.61 |
N1(CCCC(=O)NC[C@@H]2CCCN3CCCC[C@@]32[H])C(=O)[C@H]2N(CC3C(=CC(=C(OC)C=3)OC)C2)C1=O
|
|
| MCULE-4362237304 |
0.61 |
[H]Cl.O=C(O)[C@@H]1[C@@H](C2C=C3OCOC3=CC=2)CN(CC(=O)N(CCCC)CCCC)[C@H]1C1C=CC(OC)=CC=1
|
|
| MCULE-4433105430 |
0.61 |
N1(CCC(=O)N2CCC3=C(C=C(C(OC)=C3)OC)C2C)C(=O)C2C(C3CC2C=C3)C1=O
|
|
| MCULE-7117844608 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC(N(C1(C#N)CCCCC1)C)=O)=O
|
|
| MCULE-3249092634 |
0.61 |
N1(CCCCCC(OC)=O)C(=O)C2N(CC3C(=CC(=C(OC)C=3)OC)C2)C1=O
|
|
| MCULE-5892261637 |
0.61 |
N1(CCCCCC(OC)=O)C(=O)[C@H]2N(CC3=C(C=C(C(OC)=C3)OC)C2)C1=O
|
|
| MCULE-1110614951 |
0.61 |
N1(CCC(NCCCO)=O)C(=O)[C@]2(N(CC3=C(C=C(C(OC)=C3)OC)C2)C1=O)[H]
|
|
| MCULE-3943888070 |
0.61 |
N12CC3C=C4OCOC4=CC=3[C@]3([H])CCC[C@@](CC1=O)([H])[C@]23[H]
|
|
| MolPort-009-799-031 |
0.61 |
COC(=O)CC1N(CC(=O)N2CCC(C)CC2)CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-044-431-022 |
0.61 |
COC1=C(OC)C=C2CN3[C@@H](CC2=C1)C(=O)N(CCCC(=O)NCC1CCCN2CCCC[C@@H]12)C3=O
|
|
| MolPort-044-543-398 |
0.61 |
COC1=C(OC)C=C2CN3[C@@H](CC2=C1)C(=O)N(CCCC(=O)NC[C@@H]1CCCN2CCCC[C@H]12)C3=O
|
|
| MolPort-044-544-592 |
0.61 |
COC1=C(OC)C=C2CN3[C@@H](CC2=C1)C(=O)N(CCCC(=O)N(C)C[C@@H]1CCCN2CCCC[C@H]12)C3=O
|
|
| MolPort-044-724-665 |
0.61 |
Cl.CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C1=CC=C(OC)C=C1)C(O)=O)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-009-758-073 |
0.61 |
[I-].COC1=C2C(CC(=O)C3CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-838-617 |
0.61 |
[Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-897-249 |
0.61 |
COC(=O)CC1N(CC(=O)N(C)C2(CCCCC2)C#N)CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-007-953-839 |
0.61 |
COC1=C(OC)C=C2C(C)N(CCC2=C1)C(=O)CCN1C(=O)C2C3CC(C=C3)C2C1=O
|
|
| MolPort-003-757-763 |
0.61 |
COC(=O)CCCCCN1C(=O)C2CC3=CC(OC)=C(OC)C=C3CN2C1=O
|
|
| MolPort-044-431-289 |
0.61 |
COC(=O)CCCCCN1C(=O)[C@@H]2CC3=CC(OC)=C(OC)C=C3CN2C1=O
|
|
| MolPort-005-910-498 |
0.61 |
COC1=C(OC)C=C2CN3[C@@H](CC2=C1)C(=O)N(CCC(=O)NCCCO)C3=O
|
|
| MolPort-039-336-424 |
0.60 |
O=C1C[C@H]2CCC[C@@H]3[C@H]2N1CC1=C3C=C2OCOC2=C1
|
|
| MolPort-007-612-689 |
0.60 |
CCOC1=C(OCC)C=C2C3C(C(=O)NCCC4=CCCCC4)C4=C(C=CC=C4)C(=O)N3CCC2=C1
|
|
| MolPort-039-230-141 |
0.60 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)C1CCC=CC1
|
|
| MolPort-000-846-694 |
0.60 |
COC1=CC=C(CCNC(=O)C2C3OC4(CN(CC5=CC=C6OCOC6=C5)C(=O)C24)C=C3)C=C1
|
|
| MolPort-046-597-001 |
0.60 |
COC1=CC=C(CCNC(=O)C2[C@H]3O[C@]4(CN(CC5=CC=C6OCOC6=C5)C(=O)[C@@H]24)C=C3)C=C1
|
|
| MolPort-002-513-098 |
0.60 |
COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-042-646-152 |
0.60 |
CNC(=O)[C@@H]1CC2=C(CN1C(=O)CC1(CN3C=CC=C3)CCCCC1)C=C(OC)C(OC)=C2
|
|
| MolPort-005-080-529 |
0.60 |
O=C1N(C[C@@H]2C[C@H](N3CCC[C@@]123)C1=C2OCOC2=CC=C1)C1CC2=CC=CC=C2C1
|
|
| MolPort-007-588-595 |
0.60 |
COC1=C(OC)C=C(C=C1)C1C(C(=O)NCCC2=CCCCC2)C2=CC(OC)=C(OC)C=C2C(=O)N1C
|
|
| MolPort-007-588-676 |
0.60 |
COC1=CC=C(C=C1)C1C(C(=O)NCCC2=CCCCC2)C2=CC(OC)=C(OC)C=C2C(=O)N1C
|
|
| MolPort-005-050-465 |
0.60 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCCN(C1)C(=O)CC1=CCCCC1
|
|
| MolPort-005-910-185 |
0.60 |
COC1=C(OC)C=C2CN3[C@@H](CC2=C1)C(=O)N(CCCCCC(O)=O)C3=O
|
|
| MolPort-007-624-630 |
0.60 |
COC1=C(OC)C=C2C(=O)N3CCC4=CC=CC=C4C3C(C(=O)NCCC3=CCCCC3)C2=C1
|
|
| MolPort-020-256-613 |
0.60 |
COC1=C(OC)C=C2CN3C(CC2=C1)C(=O)N(CCCCCC(O)=O)C3=O
|
|
| MCULE-8552251653 |
0.60 |
N12CCC3=C(C=C(C(OCC)=C3)OCC)C1C(C1=CC=CC=C1C2=O)C(NCCC1CCCCC=1)=O
|
|
| MCULE-1774160203 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C3CC=CCC3)=O)C2CC(O)=O)=C1
|
|
| MCULE-9200745463 |
0.60 |
[C@]12([H])C(C(NCCC3C=CC(=CC=3)OC)=O)[C@H]3O[C@@]1(C=C3)CN(CC1=CC=C3C(OCO3)=C1)C2=O
|
|
| MCULE-5460991396 |
0.60 |
C1(=O)N(C[C@]2([H])C[C@@H](C3=CC=CC4OCOC3=4)N3CCC[C@]132)C1CC2C(=CC=CC=2)C1
|
|
| MCULE-2716063238 |
0.60 |
N1(CC2=CC(OC)=C(C=C2C[C@@]1([H])C(NC)=O)OC)C(=O)CC1(CCCCC1)CN1C=CC=C1
|
|
| MCULE-9406540171 |
0.60 |
N1(C)C(C2=CC=C(C=C2)OC)C(C(NCCC2CCCCC=2)=O)C2C(=CC(=C(OC)C=2)OC)C1=O
|
|
| MCULE-1468712024 |
0.60 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
|
|
| MCULE-8407052594 |
0.60 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-6539088674 |
0.60 |
N1(C)C(C2=CC=C(C(OC)=C2)OC)C(C(NCCC2CCCCC=2)=O)C2C(=CC(=C(OC)C=2)OC)C1=O
|
|
| MCULE-8208757683 |
0.60 |
N1(CCCC(C1)N1CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)CC1CCCCC=1
|
|
| MCULE-6121194331 |
0.60 |
N1(CCCCCC(O)=O)C(=O)[C@]2(N(CC3=C(C=C(C(OC)=C3)OC)C2)C1=O)[H]
|
|
| MCULE-6915522294 |
0.60 |
N1(CCCCCC(O)=O)C(=O)C2N(CC3C(=CC(=C(OC)C=3)OC)C2)C1=O
|
|
| MCULE-4369753862 |
0.60 |
N12CCC3=C(C=CC=C3)C1C(C(NCCC1CCCCC=1)=O)C1=C(C=C(C(OC)=C1)OC)C2=O
|
|
| MCULE-4071678887 |
0.60 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H].[I-]
|
|
| MCULE-5124333350 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-9801984005 |
0.60 |
N1(C(CC2C=CC=CC=2)C(=O)N2CCN(CC2)CC2=CC=C3C(OCO3)=C2)C(=O)C2C(CCCC2)C1=O
|
|
| MCULE-8951849956 |
0.60 |
N1(CCC(=O)N2CCC(CC2)C(N)=O)C(=O)[C@]2(N(CC3=C(C=C(C(OC)=C3)OC)C2)C1=O)[H]
|
|
| MCULE-4802982400 |
0.60 |
N1(CCC(=O)N2CCC(CC2)C(N)=O)C(=O)C2(N(CC3=C(C=C(C(OC)=C3)OC)C2)C1=O)[H]
|
|
| MCULE-1210210850 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7459537801 |
0.60 |
N1(CC2=CC(OC)=C(C=C2C[C@H]1C(N)=O)OC)C(=O)CC1(CCCCC1)CN1C=CC=C1
|
|
