| MCULE-3241136280 |
1 |
C12=C3CCN(C)[C@]1([H])CC1C=CC(O)=C(OC4C(OC)=CC5CCN(C)[C@@]([H])(C=5C=4)CC4C=CC(=CC=4)OC2=C(O)C(=C3)OC)C=1
|
|
| MCULE-2868110081 |
1 |
C12C3CCN(C)[C@]1([H])CC1C=CC(=C(C=1)OC1C(OC)=CC4=C([C@@]([H])(N(C)CC4)CC4C=CC(=CC=4)OC=2C(=C(OC)C=3)O)C=1)O
|
|
| MolPort-000-772-054 |
0.99 |
COC1=C2OC3=C4C(CC5=CC=C(OC6=CC(CC7N(C)CCC(=C1)C7=C2)=CC=C6O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-020-005-708 |
0.99 |
COC1=CC2=C3C=C1OC1=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(OC)C=C5)N(C)CCC4=CC(OC)=C1O
|
|
| MolPort-020-005-723 |
0.99 |
COC1=CC2=C3C=C1OC1=C4[C@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(OC)C=C5)N(C)CCC4=CC(OC)=C1O
|
|
| MolPort-000-703-191 |
0.99 |
O.O.O.O.O.[Cl-].[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CC[N+](C)(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
|
|
| MolPort-003-929-942 |
0.99 |
O.O.O.O.O.Cl.[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
|
|
| MolPort-005-938-503 |
0.99 |
COC1=C2OC3=C4C(CC5=CC=C(O)C(OC6=CC=C(CC7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-001-728-239 |
0.99 |
COC1=C2OC3=C4[C@@H](CC5=CC=C(O)C(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-044-193-374 |
0.99 |
COC1=C2OC3=CC=C(CC4N(C)CCC5=CC(OC)=C(OC6=C7C(CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6OC)C=C45)C=C3
|
|
| MolPort-000-775-751 |
0.99 |
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(C=C5OC)C(CC5=CC=C(OC1=C2)C=C5)N(C)CC6)=C34
|
|
| MolPort-001-728-226 |
0.99 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(C=C5OC)[C@H](CC5=CC=C(OC1=C2)C=C5)N(C)CC6)=C34
|
|
| MolPort-003-983-880 |
0.99 |
[Cl-].[Cl-].COC1=CC2=C3[C@@H](CC4=CC(OC5=CC6=C(CC[NH+](C)C6CC6=CC=C(OC3=C1O)C=C6)C=C5OC)=C(O)C=C4)[N+](C)(C)CC2
|
|
| MolPort-042-676-320 |
0.99 |
COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(O)C(OC)=C4
|
|
| MolPort-006-069-226 |
0.99 |
Cl.[Cl-].COC1=CC2=C3C=C1OC1=C(O)C=CC(C[C@@H]4C5=C(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)C(O)=C(OC)C=C5CC[N+]4(C)C)=C1
|
|
| MolPort-001-728-135 |
0.99 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-001-728-118 |
0.99 |
COC1=C2OC3=C4[C@H](CC5=CC=C(OC6=CC(C[C@H]7N(C)CCC(=C1)C7=C2)=CC=C6O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-000-763-034 |
0.99 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-009-758-370 |
0.99 |
O.O.O.O.O.[Cl-].[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CC[N+](C)(C)[C@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
|
|
| MCULE-4873661091 |
0.99 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(O)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-7264526897 |
0.99 |
O1C2=C(C=C3CCN(C)[C@H](CC4=CC=C(C=C4)OC4C(=CC=C(C=4)C[C@H]4C5=C1C(=C(C=C5CCN4C)OC)OC)OC)C3=C2)OC
|
|
| MCULE-6334861355 |
0.99 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-2548279289 |
0.99 |
C12C(OC)=C(OC)C=C3CCN(C)[C@@]([H])(CC4C=CC(=C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
|
|
| MCULE-8890424200 |
0.99 |
C12C(OC)=C(OC)C=C3CCN(C)[C@]([H])(CC4C=CC(=C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
|
|
| MCULE-8373478754 |
0.99 |
C12C(OC)=C(OC)C=C3CCN(C)C([H])(CC4C=CC(=C(OC5=CC=C(C=C5)CC5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
|
|
| MCULE-6327057075 |
0.99 |
C12=C(OC)C(OC)=CC3CCN(C)C(CC4=CC=C(C=C4)OC4C(O)=CC=C(CC5N(CCC6C5=CC(=C(OC)C=6)O1)C)C=4)C2=3
|
|
| MCULE-7779971171 |
0.99 |
C12CCN(C)[C@@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-5037968497 |
0.99 |
C12CCN(C)[C@@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(O)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-1397105564 |
0.99 |
C12C(OC)=C(OC)C=C3CCN(C)C(CC4=CC=C(C(OC5C=CC(=CC=5)CC5N(C)CCC6C=C(C(OC)=CC=65)O1)=C4)OC)C=23
|
|
| MCULE-9574668792 |
0.99 |
C12=C3CCN(C)[C@@H]1CC1C=CC(OC)=C(OC4C=CC(=CC=4)C[C@@H]4N(CCC5C=C(OC)C(=CC=54)OC2=C(O)C(=C3)OC)C)C=1
|
|
| MCULE-6247921386 |
0.99 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(O)=CC=4
|
|
| MCULE-1680809407 |
0.99 |
C1CC2C=C(OC)C(OC)=C3OC4C(OC)=CC5CCN(C)C(CC6C=CC(OC7=CC(=CC=C7O)CC(C=23)N1C)=CC=6)C=5C=4
|
|
| MCULE-2321012187 |
0.99 |
C12=C(OC)C(OC)=CC3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4C(O)=CC=C(C[C@@]5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)C=4)C2=3
|
|
| MCULE-5816428628 |
0.99 |
C12[C@@H]3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)[C@@H](CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C
|
|
| MCULE-1926626409 |
0.99 |
C12C(OC)=C(OC)C=C3CCN(C)[C@]([H])(CC4=CC=C(C(OC5C=CC(=CC=5)C[C@@]5(N(C)CCC6C=C(C(OC)=CC=65)O1)[H])=C4)OC)C=23
|
|
| MCULE-4969671593 |
0.99 |
C12=C3CCN(C)[C@@H]1CC1=CC=C(OC4C5=C(CCN(C)[C@@H]5CC5=CC=C(C=C5)OC2=C(OC)C(=C3)OC)C=C(OC)C=4OC)C=C1
|
|
| MCULE-3883554658 |
0.99 |
C12=C3CCN(C)[C@]1([H])CC1C=CC(=CC=1)OC1=C(OC)C(=CC4CCN(C)[C@](C1=4)([H])CC1=CC=C(C=C1)OC2=C(C(OC)=C3)OC)OC
|
|
| MolPort-003-936-410 |
0.98 |
Cl.Cl.COC1=C2OC3=C4[C@@H](CC5=CC=C(O)C(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-042-676-315 |
0.98 |
Cl.Cl.COC1=C2OC3=C4C(CC5=CC(OC6=CC=C(CC7N(C)CCC(=C1)C7=C2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-029-886-746 |
0.98 |
Cl.COC1=CC2=C3C=C1OC1=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C1OC
|
|
| MCULE-3891271395 |
0.98 |
C12OC3=CC4=C5C=C3OC=1C(=CC1CCNC([H])(CC3C=CC(=CC=3)OC3C(OC)=CC=C(CC4([H])N(CC5)C)C=3)C2=1)OC
|
|
| MCULE-3287612708 |
0.98 |
Cl.Cl.C1CC2C=C(OC)C(OC)=C3OC4C(OC)=CC5CCN(C)C(CC6C=CC(OC7=CC(=CC=C7O)CC(C=23)N1C)=CC=6)C=5C=4
|
|
| MCULE-7825125488 |
0.98 |
[H]Cl.C12=C(OC)C(OC)=CC3CCN(C)C(CC4C=CC(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)O)C2=3
|
|
| MCULE-6699394396 |
0.98 |
Cl.C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(O)=CC=4
|
|
| MCULE-8424323281 |
0.98 |
Cl.Cl.O(C1C(=CC2CCN(C)[C@]3([H])CC4=CC=C(O)C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6C=C(OC)C(=CC=65)OC=1C=23)=C4)OC)C
|
|
| MCULE-9167644339 |
0.98 |
C12[C@@H]3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)[C@@H](CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C.Cl
|
|
| MCULE-2205423638 |
0.97 |
C12OC3=CC(=CC4CCN(C)[C@@H](CC5=CC=C(C=C5)OC5=C(C=CC(=C5)C[C@@H]5N(C)CCC(C=C(OC)C=1OC)=C25)OC)C3=4)OC
|
|
| MCULE-4999135010 |
0.96 |
C12[C@]3([H])CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)C[C@]4([H])N(CCC5=C4C=C(C(OC)=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC)C
|
|
| MCULE-4953433217 |
0.96 |
C12C3CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)CC4C5=C(CC[NH+]4C)C=C(OC)C(=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC
|
|
| MCULE-5042838561 |
0.96 |
C1(OC2=C(OC)C=C3C(C(CC)N(CC3)C)=C2)C(O)=C(OC)C=C2CCN(C)C(CC)C=12
|
|
| MCULE-5019588064 |
0.95 |
C12[C@]3([H])CC4=CC=C(C(OC5C=CC(=CC=5)C[C@]5([H])NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC
|
|
| MCULE-3283642436 |
0.95 |
C12C3CC4C=C(O)C(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CCN3C)OC)C)C=4)OC
|
|
| MCULE-7431600466 |
0.95 |
I.C12[C@]3([H])CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)C[C@]4([H])N(CCC5=C4C=C(C(OC)=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC)C
|
|
| MCULE-3936362222 |
0.95 |
C12C3CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)CC4C5=C(CC[NH+]4C)C=C(OC)C(=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC.[I-]
|
|
| MCULE-8676512526 |
0.95 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5N(CCC6C5=CC(=C(OC)C=6)OC1=C(C(OC)=C(OC)C=2CCN3C)OC)C)=C4)OC
|
|
| MCULE-3804794622 |
0.95 |
C12[C@]3([H])CC4=CC=C(C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)C)=C4)OC
|
|
| MCULE-8268993318 |
0.95 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC
|
|
| MCULE-8393685162 |
0.95 |
C1(OC2=C(OC)C=C3C(C(CC)N(CC3)C)=C2)C(O)=C(OC)C=C2CCN(C)C(CC)C=12.Cl.Cl
|
|
| MolPort-000-778-541 |
0.95 |
O.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-000-771-002 |
0.95 |
COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-009-758-224 |
0.95 |
I.COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=C(O)C(OC)=C5OC)C=C34
|
|
| MolPort-000-730-052 |
0.95 |
[I-].COC1=CC=C2CC3[NH+](C)CCC4=CC(OC)=C(OC5=C6C(CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=C(O)C(OC)=C5OC)C=C34
|
|
| MolPort-001-728-228 |
0.95 |
COC1=CC=C2C[C@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCN[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MolPort-001-728-214 |
0.95 |
COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCN[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MolPort-001-728-101 |
0.95 |
O.COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-001-728-117 |
0.95 |
COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-044-544-144 |
0.94 |
Cl.Cl.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-044-543-954 |
0.94 |
Cl.Cl.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCNC6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MCULE-7911972279 |
0.94 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC.Cl.Cl
|
|
| MCULE-2079398858 |
0.94 |
C12C3CC4C=CC(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)C)C=4)OC.Cl.Cl
|
|
| MCULE-3783274106 |
0.90 |
C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(OC2C(O)=C(OC)C=C3C=2C(CC(C)C)N(CC3)C)C(OC)=CC2=C1C(CC(C)C)N(CC2)C
|
|
| MCULE-8092338781 |
0.90 |
C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O
|
|
| MCULE-4404393518 |
0.90 |
N1(C)CCC2C(C1CC(C)C)=C(C(=C(OC)C=2)OC1C2C(CC(C)C)N(C)CCC=2C=C(OC)C=1O)OC1C(OC)=CC2CCN(C)C(CC(C)C)C=2C=1
|
|
| MCULE-4717457274 |
0.90 |
C12=C(O)C(OC)=CC3[C@](N(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@@]3([H])N(CCC4C3=CC(=C(OC)C=4)O2)C)C=1
|
|
| MCULE-5643246457 |
0.90 |
C12=C(O)C(OC)=CC3C(N(C)CCC=31)CC1=CC=C(C=C1)OC1C(OC)=CC=C(CC3N(CCC4C3=CC(=C(OC)C=4)O2)C)C=1
|
|
| MCULE-1711881304 |
0.90 |
C12=C(O)C(OC)=CC3[C@]([N+](C)(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@]3([H])C4C(CC[N+]3(C)C)=CC(OC)=C(C=4)O2)C=1
|
|
| MolPort-046-597-983 |
0.90 |
COC1=CC=C2CC3C4=CC(OC5=C6CC[N+](C)(C)C(CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)=C(OC)C=C4CC[N+]3(C)C
|
|
| MolPort-001-728-215 |
0.90 |
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C(OC5=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)C=C34
|
|
| MolPort-000-758-558 |
0.90 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)C=C34
|
|
| MolPort-035-705-716 |
0.90 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(CC[N+](C)([O-])[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MCULE-7704160657 |
0.89 |
C12=C(O)C(OC)=CC3[C@]([N+](C)(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@]3([H])C4C(CC[N+]3(C)C)=CC(OC)=C(C=4)O2)C=1.[I-].[I-]
|
|
| MCULE-4243165865 |
0.89 |
C12C3OCOC=3C=C3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4=C(OC)C=CC(C[C@@]5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)=C4)C=23
|
|
| MCULE-1139668351 |
0.89 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC7OCOC=7C(OC(C(OC)=C1)=CC=23)=C65)C(OC)=CC=4
|
|
| MCULE-9714795096 |
0.89 |
C12C3OCOC=3C=C3CCN(C)C([H])(CC4=CC=C(C=C4)OC4=C(OC)C=CC(CC5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)=C4)C=23
|
|
| MCULE-3635473685 |
0.89 |
COC1C2OC3C4[C@](N(CCC=4C=C4OCOC=34)C)([H])CC3C=CC(OC4=CC=C(C[C@]5(N(CCC(=C5C=2)C=1)C)[H])C=C4OC)=CC=3
|
|
| MCULE-3272174824 |
0.89 |
O1C2=C(C=C3CCN(C)[C@@H](CC4=CC=C(C(=C4)OC4=CC=C(C=C4)C[C@@H]4C5=C1C1=C(C=C5CCN4C)OCO1)OC)C3=C2)OC
|
|
| MolPort-000-742-151 |
0.89 |
[I-].[I-].COC1=CC=C2C[C@@H]3C4=CC(OC5=C6CC[N+](C)(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)=C(OC)C=C4CC[N+]3(C)C
|
|
| MolPort-035-395-783 |
0.89 |
COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=C4C(OC4=C(OC)C=C6CCN(C)C(CC(C=C1)=C2)C6=C4)=C1OCOC1=C5)C=C3
|
|
| MolPort-044-193-471 |
0.89 |
COC1=C2OC3=CC=C(CC4N(C)CCC5=CC6=C(OCO6)C(OC6=C(OC)C=C7CCN(C)C(CC(C=C1)=C2)C7=C6)=C45)C=C3
|
|
| MolPort-000-775-465 |
0.89 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=CC1=C5OCO1)C=C34
|
|
| MCULE-8823935868 |
0.88 |
C12C[C@]3(C4C=C(OC5C=C6[C@@]([H])(N(C)CCC6=CC=5OC)CC5=CC=C(OC(=C1)C(OC)=CC=2)C=C5)C(O)=C(OC)C=4CCN3C)[H]
|
|
| MCULE-3866980391 |
0.87 |
C1(OC2=C(OC)C=C3C(C(C)N(CC3)C)=C2)=C(O)C(OC)=CC2CCNC(C)C1=2
|
|
| MCULE-7464008139 |
0.87 |
C1(OC2=C(OC)C=C3C(C(C)N(CC3)C)=C2)=C(O)C(OC)=CC2CCN(C)C(C)C1=2
|
|
| MCULE-8233858649 |
0.85 |
C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O.C(O)(=O)C(O)=O
|
|
| MCULE-3253767593 |
0.85 |
C(O)(=O)C(O)=O.C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(C(OC)=CC2CCN(C)C(CC(C)C)C1=2)OC1C(O)=C(OC)C=C2CCN(C)C(CC(C)C)C=12
|
|
| MCULE-2546164744 |
0.85 |
C12=C3OCOC3=CC3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4C=C(C=CC=4OC)C[C@]4(N(C)CC5=C(C4)C=C(C(OC)=C5)O1)[H])C2=3
|
|
| MCULE-5517747794 |
0.85 |
[C@H]1(CC2=CC(=C(O)C=C2)OC2C(=CC3=C(C=2)[C@H](N(CC3)C)CC2=CC=C(OC)C=C2)OC)N(C)CCC2C=C(OC)C(O)=CC1=2
|
|
| MCULE-9448174765 |
0.85 |
OC1C(OC2C(OC)=CC3CCN([C@H](CC4C=CC(OC)=CC=4)C=3C=2)C)=CC(C[C@@H]2C3C=C(C(=CC=3CCN2C)OC)OC)=CC=1
|
|
| MCULE-1313881996 |
0.85 |
CN1C(CC2C=CC(OC)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
| MCULE-5545107428 |
0.85 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(O)C=C1)OC1=C(O)C=CC(C[C@H]2N(C)CCC3C=C(OC)C(OC)=CC2=3)=C1
|
|
| MCULE-1304468907 |
0.85 |
CN1C(CC2C=CC(OC)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(O)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
| MCULE-6225386441 |
0.85 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(O)C=C1)OC1=C(O)C=CC(C[C@H]2N(C)CCC3C=C(C(OC)=CC2=3)OC)=C1
|
|
| MCULE-1417610312 |
0.85 |
C1(O)=CC=C(C[C@H]2C3=C(C=C(OC)C(OC)=C3)CCN2C)C=C1OC1=CC2=C(C=C1OC)CCN(C)[C@@H]2CC1=CC=C(OC)C=C1
|
|
| MCULE-9406913648 |
0.85 |
COC1C=C2C(C(N(CC2)C)CC2C=CC(O)=C(OC3C=C4C(CCN(C4CC4C=CC(O)=CC=4)C)=CC=3OC)C=2)=CC=1OC
|
|
| MolPort-006-069-378 |
0.85 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C(OC3=CC4=C(CCN(C)[C@@H]4CC4=CC=C(O)C=C4)C=C3OC)=C1)N(C)CC2
|
|
| MolPort-046-594-356 |
0.85 |
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(O)C=C56)=C4)C=C23)C=C1
|
|
| MolPort-046-417-445 |
0.85 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(C[C@@H]5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1
|
|
| MolPort-039-052-274 |
0.85 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=C5C=C(OC)C(OC)=C6)=C4)C=C23)C=C1
|
|
| MolPort-046-594-355 |
0.85 |
COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-039-052-273 |
0.85 |
COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-046-426-991 |
0.85 |
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1
|
|
| MolPort-039-052-270 |
0.85 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=C5C=C(O)C(OC)=C6)=C4)C=C23)C=C1
|
|
| MolPort-020-005-793 |
0.85 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(C[C@H]5N(C)CCC6=C5C=C(O)C(OC)=C6)=C4)C=C23)C=C1
|
|
| MCULE-5161455012 |
0.84 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(OC)C(OC2C=CC(C[C@H]3N(C)CCC4C=C(C(OC)=CC3=4)OC)=CC=2)=C1)OC
|
|
| MolPort-020-005-910 |
0.83 |
COC1=CC2=C(CCN(C)[C@@H]2CC2=CC=C(OC3=CC(C[C@H]4N(C)CCC5=C4C=C(OC)C(OC)=C5)=CC=C3O)C=C2)C=C1O
|
|
| MolPort-046-594-384 |
0.83 |
COC1=C(OC)C=C2C(CC3=CC=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C3)N(C)CCC2=C1
|
|
| MolPort-039-052-321 |
0.83 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4N(C)CCC5=CC(OC)=C(OC)C=C45)C=C3)=C1)N(C)CC2
|
|
| MolPort-020-005-909 |
0.83 |
COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)=C1)N(C)CC2
|
|
| MCULE-9710337094 |
0.83 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C54)C(O)=CC=3)C=1C=C(O)C(OC)=C2
|
|
| MCULE-4656622603 |
0.83 |
OC1C(OC)=CC2[C@H](N(CCC=2C=1)C)CC1C=C(OC2C=CC(C[C@@H]3C4C=C(C(=CC=4CCN3C)OC)OC)=CC=2)C(O)=CC=1
|
|
| MCULE-7949916991 |
0.83 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C54)C(O)=CC=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-5928389662 |
0.83 |
CN1C(CC2C=CC(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)=CC=2)C2C(=CC(OC)=C(OC)C=2)CC1
|
|
| MCULE-4708681685 |
0.83 |
C12=CC(=C(OC)C=C1CCN(C)[C@@H]2CC1C=CC(O)=C(OC2C=CC(C[C@@H]3N(C)CCC4C=C(OC)C(OC)=CC3=4)=CC=2)C=1)OC
|
|
| MCULE-3934803914 |
0.83 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1C=CC(OC2=C(O)C=CC(C[C@H]3NCCC4C=C(C(OC)=CC3=4)OC)=C2)=CC=1)OC
|
|
| MCULE-8356205204 |
0.83 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(O)=C(OC)C=C54)C(O)=CC=3)C=1C=C(OC)C(OC)=C2
|
|
| MolPort-035-705-715 |
0.81 |
COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1O
|
|
| MolPort-046-594-320 |
0.81 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-046-684-150 |
0.81 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-039-052-271 |
0.81 |
O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=CC4=C(CCN(C)[C@@H]4CC4=CC=C(O)C=C4)C=C3OC)=C(O)C=C1)N(C)CC2
|
|
| MolPort-039-052-272 |
0.81 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-027-720-883 |
0.81 |
O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MCULE-5235810957 |
0.81 |
OCl(=O)(=O)=O.OCl(=O)(=O)=O.CN1C(CC2C=CC(O)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
| MCULE-8525910674 |
0.81 |
C12=C(CCN(C)[C@@H]1CC1C=CC(O)=CC=1)C=C(OC)C(OC1=CC(=CC=C1O)C[C@H]1N(C)CCC3C=C(OC)C(OC)=CC1=3)=C2.Cl(=O)(O)(=O)=O
|
|
| MCULE-9246797226 |
0.81 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC
|
|
| MCULE-4071188423 |
0.80 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC.Cl
|
|
| MCULE-2736060136 |
0.80 |
C1C=C2CCN[C@@]([H])(CC3C=CC(O)=CC=3)C2=C(OC)C=1O
|
|
| MCULE-8881128467 |
0.80 |
C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)C(OC(C)=O)=C(OC)C=C2C=1C(CC(C)C)N(CC2)C
|
|
| MolPort-044-560-957 |
0.80 |
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C(OC)=C1)N(C)CC2
|
|
| MolPort-039-338-706 |
0.80 |
COC1=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=CC=C1O
|
|
| MolPort-002-800-513 |
0.79 |
COC1=C2C(CC3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-649-467 |
0.79 |
COC1=CC2=C(CCN3CC4=C(CC23)C=CC(OC)=C4OC)C=C1O
|
|
| MolPort-000-882-010 |
0.79 |
COC1=C(O)C=C2CCN3CC4=C(C[C@@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-001-728-168 |
0.79 |
COC1=CC2=C(C=C1OC)C1C(C)C3=CC=C(OC)C(OC)=C3CN1CC2
|
|
| MolPort-023-332-930 |
0.79 |
COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(O)C=C34)CC2=C1OC
|
|
| MolPort-000-881-202 |
0.79 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
|
|
| MolPort-039-052-373 |
0.79 |
COC1=C(OC)C=C2[C@H]3C(C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-039-052-634 |
0.79 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-001-740-784 |
0.79 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-046-790-508 |
0.79 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-019-996-257 |
0.79 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
|
|
| MolPort-001-728-103 |
0.79 |
COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-001-728-102 |
0.79 |
COC1=C(OC)C=C2C3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-487-312 |
0.79 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MCULE-7464134414 |
0.79 |
[NH+]12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2.[Cl-]
|
|
| MCULE-7006385138 |
0.79 |
Cl.C12C=C(OC)C(OC)=CC=1C1CC3C=CC(OC)=C(OC)C=3CN1CC2
|
|
| MCULE-9495472668 |
0.79 |
[I-].[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-6042650831 |
0.79 |
C1(C=C2CCN3[C@@]([H])(C2=CC=1OC)[C@@H](C)C1C=CC(OC)=C(OC)C=1C3)OC
|
|
| MCULE-8349247867 |
0.79 |
[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-9823434055 |
0.79 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@]1([H])CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-1935763935 |
0.79 |
COC1C(O)=CC2=C(C3N(CC2)CC2C(=CC=C(C=2OC)OC)C3)C=1
|
|
| MCULE-3987199342 |
0.79 |
C12C([C@]3([H])CC4=CC=C(OC)C(OC)=C4CN3CC1)=CC(O)=C(OC)C=2
|
|
| MCULE-5343199995 |
0.79 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9590328189 |
0.79 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6675093805 |
0.79 |
N12CCC3C=C(OC)C(OC)=CC=3C1C(C)C1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-5827277495 |
0.79 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-9945463658 |
0.79 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@]3([H])C2=CC=1OC
|
|
| MCULE-1328768112 |
0.79 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-2739186472 |
0.79 |
C1(OC)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-9155587841 |
0.79 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9943627177 |
0.79 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-6845267239 |
0.79 |
C1(CC2=CC(OC)=C(OC)C(OC)=C2)C2=C(C=C(OC)C(OC)=C2)CCN1
|
|
| MolPort-002-321-247 |
0.79 |
Cl.COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-009-757-742 |
0.79 |
Cl.COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-697-827 |
0.79 |
[Cl-].COC1=C(OC)C=C2[C@H]3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-009-653-440 |
0.79 |
Cl.COC1=C(OC)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MCULE-9623052715 |
0.78 |
N1(C)C(CC2C=CC(OC)=C(OCC3C=CC=CC=3)C=2)C2C(OC)=C(OCC3C=CC=CC=3)C(OC)=CC=2CC1
|
|
| MCULE-5347617329 |
0.78 |
OC1C(OC)=CC2CCN3CC4C(=C(C=CC=4C[C@@]3([H])C=2C=1)O)OC
|
|
| MCULE-6361134516 |
0.78 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-1663051633 |
0.78 |
[C@@]12([H])CC3=C(C(O)=C(OC)C=C3)CN1CCC1C=C(OC)C(O)=CC2=1
|
|
| MolPort-020-005-719 |
0.78 |
COC1=CC2=C(C=C1O)[C@@H]1CC3=CC=C(O)C(OC)=C3CN1CC2
|
|
| MolPort-046-153-752 |
0.78 |
COC1=C(O)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(O)=C(OC)C=C4
|
|
| MolPort-003-850-289 |
0.78 |
COC1=C(O)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-000-881-248 |
0.77 |
COC1=CC=C(C[C@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1O
|
|
| MolPort-001-728-116 |
0.77 |
COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-728-151 |
0.77 |
COC1=CC=C(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-728-096 |
0.77 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(O)C=C1)N(C)CC2
|
|
| MolPort-001-728-132 |
0.77 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C=C1)N(C)CC2
|
|
| MCULE-5044903349 |
0.77 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-]
|
|
| MCULE-1232528834 |
0.77 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-7667495210 |
0.77 |
C12C=C(OC)C(=CC=1CCN(C)[C@]2([H])CC1C=CC(=CC=1)O)OC
|
|
| MCULE-2724982116 |
0.77 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C(O)=C1)OC)OC
|
|
| MCULE-7558810534 |
0.77 |
[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-2591645144 |
0.77 |
COC1C(OC)=CC2=C(CCN([C@@H]2CC2=CC=C(O)C=C2)C)C=1
|
|
| MCULE-9824379461 |
0.77 |
C12C=C(OC)C(=CC=1CCN(C)[C@H]2CC1=CC=C(C(OC)=C1)OC)OC
|
|
| MCULE-1703608488 |
0.77 |
C1(OC)C=C2C(CC3=CC(OC)=C(OC)C=C3)N(C)CCC2=CC=1OC
|
|
| MCULE-1603862294 |
0.77 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(=CC=1)O)OC
|
|
| MCULE-3731584988 |
0.77 |
C1(=CC=CC=C1)CC1C2C(OC)=C(OC)C=CC=2CC2N1CCC1C2=CC2OCOC=2C=1
|
|
| MolPort-009-758-169 |
0.76 |
I.COC1=C(OC)C=C2[C@@H](CC3=CC=C([O-])C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-000-731-845 |
0.76 |
[I-].COC1=C(OC)C=C2C(CC3=CC=C(O)C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-001-728-064 |
0.76 |
COC1=CC=C(CC2N(C)CCC3=C2C=C(O)C(O)=C3)C=C1OC
|
|
| MCULE-6943816006 |
0.76 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-].I
|
|
| MCULE-3362777972 |
0.76 |
[I-].[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-7716398349 |
0.76 |
[I-].[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-3775135762 |
0.76 |
C12=CC(=C(O)C=C1CCN(C)C2CC1=CC=C(OC)C(OC)=C1)O
|
|
| MCULE-6586418456 |
0.76 |
C1(OCC2C=CC=CC=2)C(OCC2C=CC=CC=2)=C(OC)C2C(NCCC=2C=1)CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-1418546542 |
0.76 |
C12=C(OC)C(OC)=CC3CCN(C)[C@@]([H])(CC4C=CC(=C(OC5C=CC(=CC=5)CC5=NCCC6C=C(C(OC)=CC=65)O1)C=4)O)C2=3
|
|
| MolPort-002-821-586 |
0.76 |
COC1=C(OC)C=C2C(NCCC2=C1)C(C1=CC=CC=C1)C1=CC=C(C)C=C1
|
|
| MolPort-001-728-133 |
0.76 |
COC1=CC2=C3CCN=C2CC2=CC=C(OC4=CC(C[C@@H]5N(C)CCC6=CC(OC)=C(OC)C(OC1=C3)=C56)=CC=C4O)C=C2
|
|
| MolPort-046-158-434 |
0.75 |
COC1=C(O)C=C2[C@@H](CC3=CC=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-046-158-432 |
0.75 |
COC1=C(OC)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-005-981-212 |
0.75 |
COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(O)C(OC)=C3)C=C1O
|
|
| MolPort-039-338-460 |
0.75 |
COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-005-932-651 |
0.75 |
COC1=CC=C(C[C@H]2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-002-711-488 |
0.75 |
COC1=CC=C(CC2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-042-682-691 |
0.75 |
COC1=C(O)C=C(C[C@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1
|
|
| MCULE-4382321272 |
0.75 |
Cl.C1(OCC2C=CC=CC=2)C(OCC2C=CC=CC=2)=C(OC)C2C(NCCC=2C=1)CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-1367303166 |
0.75 |
C1(OC)C=C2CCN(C)[C@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-7127931962 |
0.75 |
C12C=C(C(OC)=CC=1CCN[C@@H]2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MCULE-4925299859 |
0.75 |
C12CCNC(CC3C=CC(OC)=C(OC)C=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1347832392 |
0.75 |
C1(CC2C3=CC(OC)=C(OC)C=C3CCN2)C=CC=CC=1
|
|
| MCULE-4953302730 |
0.75 |
C1(OC)C=C2CCN(C)[C@@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-9162219244 |
0.75 |
N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-8212608565 |
0.75 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1=CC(=C(O)C=C1C2)O
|
|
| MCULE-7120454480 |
0.75 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-8495160382 |
0.75 |
C1(COC2C=CC(=CC=2OC2C=CC(C[C@@H]3N(C)CCC4C=C(OC)C(OC)=CC3=4)=CC=2)C[C@@H]2C3=CC(=C(OC)C=C3CCN2C)OC)=CC=CC=C1
|
|
| MCULE-1200373525 |
0.75 |
I.C12C(CCNC1CC1=CC=C(C(OC)=C1)OC)=CC(=C(OC)C=2)OC
|
|
| MCULE-1380409514 |
0.75 |
Cl.C12CCNC(CC3C=CC(OC)=C(OC)C=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1092485874 |
0.75 |
Br.C12=C(CCNC1CC1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OC
|
|
| MCULE-1856051680 |
0.75 |
Cl.C12C=C(C(OC)=CC=1CCN[C@@H]2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MolPort-046-762-434 |
0.75 |
C[N+]12CCC3=C(C1CC1=CC=C4OCOC4=C1C2)C(O)=C1OCOC1=C3
|
|
| MolPort-001-770-233 |
0.75 |
Cl.COC1=CC=C(CC2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-046-690-082 |
0.75 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-046-690-894 |
0.75 |
Cl.COC1=C(O)C=C(C[C@@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1
|
|
| MolPort-038-384-918 |
0.75 |
Cl.COC1=CC=C(C[C@@H]2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-002-500-281 |
0.75 |
Cl.COC1=CC=C(C[C@H]2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-023-220-751 |
0.74 |
COC1=CC2=C(C[C@H]3C4=CC(O)=C(OC)C=C4CC[N+]3(C)C2)C=C1O
|
|
| MolPort-046-594-389 |
0.74 |
COC1=C(O)C=C2CC3C4=CC(O)=C(OC)C=C4CC[N+]3(C)CC2=C1
|
|
| MCULE-5600894184 |
0.74 |
Cl.N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-1195280672 |
0.74 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-5349811674 |
0.74 |
C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(OC)C=1O
|
|
| MCULE-4694584761 |
0.74 |
C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(O)C=1OC
|
|
| MCULE-1404654898 |
0.74 |
C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-6211989689 |
0.74 |
C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-2870382656 |
0.74 |
C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MCULE-8291298220 |
0.74 |
N12CC3=CC(OC)=C(C=C3CC1C1C(CC2)=CC(OC)=C(O)C=1)O
|
|
| MCULE-7463631898 |
0.74 |
C12C=C(OC)C(=CC=1CC(NC2CC1C=CC=CC=1)(C)C)OC
|
|
| MCULE-5094356852 |
0.74 |
C12[C@@]3([H])CC4=CC=C(C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(O)=C2CCN3C)OC)=C4)OC
|
|
| MCULE-7429300053 |
0.74 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2.Cl
|
|
| MCULE-3977547393 |
0.74 |
C12=C(CCN(C)[C@@H]1CC1=CC(=C(OC(C)=O)C=C1)OC1C=CC(C[C@@H]3C4C=C(OC)C(OC)=CC=4CCN3C)=CC=1)C=C(C(OC(=O)C)=C2)OC
|
|
| MCULE-6909489981 |
0.74 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-1700843511 |
0.74 |
N12CCC3=C(C=C4C(OCO4)=C3)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3540014010 |
0.74 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3875114127 |
0.74 |
N12CCC3C(=CC4=C(OCO4)C=3)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-5022763601 |
0.74 |
Cl.C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-7256042540 |
0.74 |
[Cl-].C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-1407847664 |
0.74 |
[Cl-].C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MolPort-001-728-110 |
0.74 |
COC1=CC=C2C[C@H]3N(C)CCC4=C(O)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-001-728-139 |
0.74 |
COC1=C(OC)C2=C(C[C@H]3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-001-728-057 |
0.74 |
COC1=C(OC)C2=C(CC3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-046-680-186 |
0.74 |
[2H]C1N2CCC3=C(C=C4OCOC4=C3)C2([2H])C([2H])C2=CC=C(OC)C(OC)=C12
|
|
| MolPort-035-705-719 |
0.74 |
COC1=CC=C2C[C@@H]3N(CCC4=C3C=C3OCOC3=C4)CC2=C1OC
|
|
| MolPort-027-720-900 |
0.73 |
[Cl-].COC1=CC2=C(C=C1O)[C@@H]1CC3=CC(O)=C(OC)C=C3C[N+]1(C)CC2
|
|
| MolPort-019-904-720 |
0.73 |
COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-044-722-868 |
0.73 |
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC=CC=C1)NC(C)(C)C2
|
|
| MCULE-5295622555 |
0.73 |
C1(OC)C=C2CCN[C@@]([H])(CC3C=CC(O)=CC=3)C2=CC=1O
|
|
| MCULE-4109058051 |
0.73 |
C12[C@@]3([H])CC4C=CC(=C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CC[NH+]3C)OC)C=4)OC
|
|
| MCULE-7327694142 |
0.73 |
C1C2C=C(OC)C(OC)=CC=2C2NC1C1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-8620597365 |
0.73 |
C1(OC)C(OC)=CC2C(CC3C=CC=CC=3)[NH2+]C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-6345887730 |
0.73 |
[N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1
|
|
| MCULE-6852566251 |
0.73 |
C1C2C=C(OC)C(OC)=CC=2C2NC1C1C=C(OC)C(OC)=CC=1C2.Cl
|
|
| MCULE-5732311573 |
0.73 |
C12C(CC)N(C)CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-1313997148 |
0.73 |
C1(OC)C(OC)=CC2C(NCCC=2C=1)CC
|
|
| MCULE-5136750602 |
0.73 |
C12=C(CCNC1C(C)C)C=C(C(OC)=C2)OC
|
|
| MolPort-046-763-412 |
0.73 |
Cl.COC1=C(OC)C2=C(CC3N(CCC4=C3C=C3OCOC3=C4)C2)C=C1
|
|
| MolPort-046-763-411 |
0.73 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)NCCC2=C1
|
|
| MolPort-046-763-847 |
0.73 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-003-733-562 |
0.73 |
COC1=C(OC)C=C2C(NCCC2=C1)C(C)C
|
|
| MolPort-002-348-172 |
0.73 |
CCC1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-000-756-471 |
0.73 |
[I-].[I-].COC1=CC=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CCCC[N+]2(C)CCC3=CC(OC)=C(OC)C=C3C2CC2=CC=C(OC)C=C2)C=C1
|
|
| MolPort-039-339-180 |
0.72 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C1=C(OCO1)C=C4
|
|
| MolPort-002-137-269 |
0.72 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=C(OC)C(OC)=C(OC)C=C1
|
|
| MCULE-7839551618 |
0.72 |
[N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1.[I-].[I-]
|
|
| MCULE-5656969981 |
0.72 |
C1C(OC)=C(OC)C=C2C=1CCN1CC3C4OCOC=4C=CC=3[C@H](C)[C@]21[H]
|
|
| MCULE-7411451677 |
0.72 |
C1(OC)C=C2CCN3CC4C5OCOC=5C=CC=4CC3C2=CC=1OC
|
|
| MCULE-1760966266 |
0.72 |
CCC1C2C=CC(=C(OC)C=2CCN1)OC
|
|
| MCULE-1792400916 |
0.72 |
C1(OC)C(OC)=CC2C[NH+](CC3C=C(OC)C(OC)=C(OC)C=3)C(C)(C)CC=2C=1
|
|
| MCULE-3015011012 |
0.72 |
C1(=CC=C(C(OC)=C1OC)OC)C1N(C)CCC2C=C(OC)C(OC)=CC1=2
|
|
| MCULE-4496998604 |
0.72 |
C12=C(CCN(C)C1C(C1C=CC=CC=1)C#N)C=C1C(OCO1)=C2OC
|
|
| MCULE-5568998779 |
0.72 |
C1(=C(C=C2C(=C1)C(C(C)C)NCC2)OC)OC.Cl
|
|
| MCULE-9723343367 |
0.72 |
[Cl-].[NH+]1(C)CCC2C(=CC(=C(OC)C=2)O)C1CC
|
|
| MCULE-6535474606 |
0.72 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(OCOC2=CC=C(C=C2)CC2N(C)CCC3=CC(OC)=C(OC)C=C23)=CC=1)OC
|
|
| MCULE-3054263843 |
0.72 |
C12C(C3C=C(OC)C(OC)=C(OC)C=3)NC(C)(C)CC1=CC(OC)=C(OC)C=2
|
|
| MCULE-9280228877 |
0.72 |
N12CCC3C(=CC4=C(OCCO4)C=3)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-6558470679 |
0.72 |
Cl.CCC1C2C=CC(=C(OC)C=2CCN1)OC
|
|
| MCULE-2039468423 |
0.72 |
[Cl-].C1(OC)C(OC)=CC2C[NH+](CC3C=C(OC)C(OC)=C(OC)C=3)C(C)(C)CC=2C=1
|
|
| MCULE-8926372975 |
0.72 |
C12C(CC)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-6929884363 |
0.72 |
C1C2OCOC=2C2=C(CC3C4=C(C=C5C(OCO5)=C4)CCN3C2)C=1
|
|
| MCULE-5248252030 |
0.72 |
C12OCOC=1C=C1[C@@]3([H])CC4C=CC5OCOC=5C=4CN3CCC1=C2
|
|
| MCULE-2672487896 |
0.72 |
C1(O)C=C2CCN3CC4C5OCOC=5C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-2324799254 |
0.72 |
C12=CC(OC)=C(C=C1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC
|
|
| MCULE-5427071523 |
0.72 |
C12[C@@]3([H])CC4C=CC(=C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CC[NH+]3C)OC)C=4)OC.N(=O)(=O)[O-]
|
|
| MolPort-004-946-811 |
0.72 |
Cl.COC1=CC2=C(C=C1OC)C(NCC2)C(C)C
|
|
| MolPort-002-735-113 |
0.72 |
COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C1=CC(OC)=C(OC)C(OC)=C1
|
|
| MolPort-001-728-115 |
0.72 |
COC1=C2C(C(C#N)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-092 |
0.72 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)N(C)CC2
|
|
| MolPort-042-605-835 |
0.72 |
Cl.CCC1NCCC2=C(OC)C(OC)=CC=C12
|
|
| MolPort-003-873-294 |
0.72 |
C1OC2=CC=C3CC4N(CCC5=CC6=C(OCO6)C=C45)CC3=C2O1
|
|
| MolPort-046-153-801 |
0.72 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC1=C4OCO1
|
|
| MolPort-000-882-001 |
0.72 |
C1OC2=CC3=C(C=C2O1)[C@H]1CC2=CC=C4OCOC4=C2CN1CC3
|
|
| MolPort-009-757-788 |
0.72 |
O[N+]([O-])=O.COC1=CC=C2C[C@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-000-717-023 |
0.72 |
[O-][N+]([O-])=O.COC1=CC=C2C[C@H]3[NH+](C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-001-728-067 |
0.72 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2
|
|
| MolPort-002-464-738 |
0.71 |
CCOC1=CC=C(CC2NCCC3=CC(OCC)=C(OCC)C=C23)C=C1OCC
|
|
| MolPort-046-153-734 |
0.71 |
COC1=C(OC)C=C2[C@@H]3CC4=C(CN3(=O)CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-046-684-160 |
0.71 |
[Cl-].C1OC2=CC3=C(C=C2O1)[C@@H]1CC2=C(C[NH+]1CC3)C1=C(OCO1)C=C2
|
|
| MCULE-4908172299 |
0.71 |
C12C(CCNC1CC1C=CC(=C(OCC)C=1)OCC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-5543501428 |
0.71 |
C1(OC)C=C2CCN3(=O)CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-7323335479 |
0.71 |
[H]Cl.C12C(C3C=C(OC)C(OC)=C(OC)C=3)NC(C)(C)CC1=CC(OC)=C(OC)C=2
|
|
| MCULE-3926491748 |
0.71 |
N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
|
|
| MCULE-8947407209 |
0.71 |
C12C=C(OC)C(=CC=1CC(C)(C)NC2C(C)C)OC
|
|
| MCULE-2323933304 |
0.71 |
C12(CC3C=CC=CC=3)N(CCC3C=C(OC)C(OC)=CC1=3)CC1C=CC=CC2=1
|
|
| MCULE-5995409132 |
0.71 |
Cl.C12C(CC)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-1567383135 |
0.71 |
Cl.C12C(CCNC1CC1=CC=C(C(OCC)=C1)OCC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-6619783414 |
0.71 |
C12C(CC=C)NC(CC1=CC(OC)=C(OC)C=2)(C)C
|
|
| MCULE-7273307698 |
0.71 |
C12C(CC)[NH2+]CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-6666860128 |
0.71 |
Cl.N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
|
|
| MCULE-7447617521 |
0.71 |
C1(OC)C(OC)=CC2C(C(C)C)[NH2+]C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-2672501952 |
0.71 |
C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
|
|
| MCULE-7486820875 |
0.71 |
C12C(CC#N)N(C)CCC1=CC1=C(OCO1)C=2OC
|
|
| MolPort-044-723-129 |
0.71 |
Cl.COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C(C)C
|
|
| MolPort-046-067-924 |
0.71 |
COC1=C2C(CC#N)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-902-617 |
0.70 |
COC1=CC(O)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
|
|
| MolPort-002-141-886 |
0.70 |
COC1=C(C)C(OC)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
|
|
| MolPort-009-757-600 |
0.70 |
Cl.Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC(C)(C)C2
|
|
| MolPort-002-116-340 |
0.70 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC(C)(C)C2
|
|
| MolPort-000-700-360 |
0.70 |
Cl.[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C(C)(C)CC2=C1
|
|
| MolPort-006-126-296 |
0.70 |
COC1=CC=C(CC2N(CCC3=C2C=C(OC)C(OC)=C3)C(C)=O)C=C1OC
|
|
| MolPort-044-721-990 |
0.70 |
COC1=CC(CC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1O
|
|
| MolPort-044-561-571 |
0.70 |
COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1[C@@H](CC1=CC=C(OC(=O)C5=CC=C(C=C5)[N+]([O-])=O)C(OC5=CC=C(C[C@@H]3N(C)CC2)C=C5)=C1)N(C)CC4
|
|
| MCULE-3077149833 |
0.70 |
C1(C2NCCC3=CC(O)=C(O)C=C23)=CC=C(C(OC)=C1OC)OC
|
|
| MCULE-9920058500 |
0.70 |
COC1=CC(O)=C(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)C=C1
|
|
| MCULE-7915248745 |
0.70 |
N1(C)C(CC2C(N(=O)=O)=CC(OC)=C(OC)C=2)C2C(OC)=C(OC)C(OC)=CC=2CC1
|
|
| MCULE-2710524895 |
0.70 |
C1(=CC=C(C(C)=C1OC)OC)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-4219301859 |
0.70 |
[Cl-].Cl.[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CC=C
|
|
| MCULE-5864844603 |
0.70 |
Cl.C12C(CC=C)NC(CC1=CC(OC)=C(OC)C=2)(C)C
|
|
| MCULE-7643258857 |
0.70 |
[Cl-].C12C(CC)[NH2+]CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-8053846682 |
0.70 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(C)CC1=CC=C(C(OC)=C1)O
|
|
| MCULE-3358675822 |
0.70 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(C)=O
|
|
| MCULE-9975057309 |
0.70 |
Cl.C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
|
|
| MCULE-9677623954 |
0.70 |
Cl.C1(C2NCCC3=CC(O)=C(O)C=C23)=CC=C(C(OC)=C1OC)OC
|
|
| MCULE-7990990557 |
0.70 |
C1(O)=C2CNCCC2=CC(OC)=C1OC
|
|
| MCULE-2727374319 |
0.70 |
COC1C=CC(CNC(CC2C=CC=CC=2C)C)=C(OC)C=1OC
|
|
| MCULE-4042690278 |
0.70 |
C12C=C(OC)C(=CC=1CC1C3=C(C=C(OC)C(O)=C23)CN(C)C1)OC1C(=CC=C(OC)C=1OC)CC1N(C)CCC2C=C(OC)C(OC)=CC1=2
|
|
| MCULE-1083665298 |
0.70 |
[C@H]1(CC2=CC=C(OC)C(OC)=C2)C2=C(C=C3OCOC3=C2)CCN1
|
|
| MCULE-3428081362 |
0.70 |
C12=CC(=C(OC)C=C1CCN(C=O)C2CC1=CC=C(O)C(OC)=C1)O
|
|
| MolPort-009-758-638 |
0.69 |
Cl.Cl.COC1=CC(C[C@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(C[C@@H]4N(C)CCC5=CC(OC)=C(O)C3=C45)=C2)C=C1OC
|
|
| MolPort-000-840-202 |
0.69 |
Cl.Cl.COC1=CC(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4N(C)CCC5=CC(OC)=C(O)C3=C45)=C2)C=C1OC
|
|
| MolPort-002-711-383 |
0.69 |
COC1=CC(O)=C(C=C1)C1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-003-179-352 |
0.69 |
COC1=CC(OC)=C(C=C1OC)C1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-008-010-454 |
0.69 |
COC1=CC(OC)=C(C=C1OC)C1NCCC2=CC(O)=C(O)C=C12
|
|
| MolPort-039-193-868 |
0.69 |
COC1=CC2=C(C=C1OC)C1=C(C=C2)C2=C(CN(C)CC2)C(OC)=C1OC
|
|
| MCULE-7353183212 |
0.69 |
C12=C(CCNC1C1=CC=C(C=C1O)OC)C=C(C(OC)=C2)OC
|
|
| MCULE-8954475561 |
0.69 |
C1(=CC(OC)=C(C=C1OC)OC)C1NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-7236304921 |
0.69 |
C1(=CC(=C(OC)C=C1OC)OC)C1NCCC2=CC(O)=C(O)C=C12
|
|
| MCULE-6670637458 |
0.69 |
Cl.C1(O)=C2CNCCC2=CC(OC)=C1OC
|
|
| MCULE-5647902877 |
0.69 |
C12CN(C)CCC=1C1=C(C3C(C=C1)=CC(=C(OC)C=3)OC)C(OC)=C2OC
|
|
| MCULE-2750201534 |
0.69 |
C12C=CC(=CC=1CCNC2CC1C=CC=CC=1)OC
|
|
| MCULE-6896204955 |
0.69 |
COC1=CC2CCNC(C)(C)C=2C(OC)=C1
|
|
| MCULE-5863201072 |
0.69 |
C1(OC)C(OC)=CC2C[NH+](CC3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
|
|
| MCULE-4424506182 |
0.69 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(=O)C1C=C(OC)C(=C(OC)C=1)OC
|
|
| MCULE-5420536073 |
0.69 |
C1(OC)=C(O)C=C2C(CCN(C)C2CC(C)C)=C1
|
|
| MCULE-6323143737 |
0.69 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-9716423864 |
0.69 |
C12C=C(OC)C(=CC=1CCN(C)C2C1C=C(OC)C(=C(OC)C=1)OC)OC
|
|
| MCULE-1150777889 |
0.69 |
C1(CC2C=CC(=C(OC)C=2)OC)C2=CC=C(C=C2CCN1C=O)OC
|
|
| MCULE-7197948855 |
0.69 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=CC(OC)=C1OC)OC
|
|
| MCULE-5883757987 |
0.69 |
Cl[H].C1(=CC(=C(OC)C=C1OC)OC)C1NCCC2=CC(O)=C(O)C=C12
|
|
| MCULE-7316025182 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(=C1)OC1C=CC=CC=1
|
|
| MCULE-2539532957 |
0.69 |
C1(O)=C2CCN(CC2=CC(OC)=C1OC)C
|
|
| MCULE-1577366882 |
0.69 |
C1(OC)C(OC)=CC=C(CN2CCC3=C(C=CC=C3)C2)C=1OC
|
|
| MCULE-1302323363 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(OC)=C1OC
|
|
| MCULE-5732979835 |
0.69 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1OC
|
|
| MCULE-2492645680 |
0.69 |
C12=CC(OC)=C(C=C1CC(NC2C1C=CC=CC=1)(C)C)OC
|
|
| MCULE-1116049308 |
0.69 |
C12C=C(OC)C(=CC=1CC(NC2C1C=CC(=CC=1)OC)(C)C)OC
|
|
| MCULE-8602017791 |
0.69 |
C12=C3CCN(C)[C@@]1([H])CC1=C(C=C(C(OC4=CC(OC)=C(C=C4C[C@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-4841277550 |
0.69 |
C12=C3CCN(C)C1CC1=C(C=C(C(OC4C=C(OC)C(=CC=4CC4N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-4188451568 |
0.69 |
C12=C(CCNC1([H])C(CO)C1=CC=CC=C1)C=C(C(OC)=C2)OC
|
|
| MolPort-007-564-079 |
0.69 |
COC1=CC2=C(CC(C)(C)N(CC3=CC=CC=C3)C2)C=C1OC
|
|
| MolPort-002-743-286 |
0.69 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1OC
|
|
| MolPort-002-137-266 |
0.69 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=CC(OC)=C(OC)C(OC)=C1
|
|
| MolPort-016-584-189 |
0.69 |
COC1=CC=CC(C2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C1OC
|
|
| MolPort-003-801-398 |
0.69 |
COC1=CC2=C(C=C1)C(CC1=CC=C(OC)C(OC)=C1)N(CC2)C=O
|
|
| MolPort-002-112-582 |
0.69 |
COC1=C(OC)C=C2CN(CC3=CC=CC(OC4=CC=CC=C4)=C3)CCC2=C1
|
|
| MolPort-002-140-770 |
0.69 |
COC1=CC=C(CN2CCC3=CC=CC=C3C2)C(OC)=C1OC
|
|
| MolPort-023-247-353 |
0.69 |
COC1=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=CC=C1
|
|
| MolPort-003-180-376 |
0.69 |
COC1=CC=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1OC
|
|
| MolPort-045-903-536 |
0.69 |
COC1=CC=C(C=C1)C1NC(C)(C)CC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-001-728-093 |
0.69 |
COC1=CC(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4N(C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
|
|
| MolPort-002-709-208 |
0.69 |
COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C1=CC=CC=C1
|
|
| MolPort-002-054-184 |
0.69 |
COC1=C(OC)C=C2[C@H](NCCC2=C1)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-009-193-230 |
0.68 |
COC1=CC=C(CC2C3=CC(OC)=C(OC)C=C3CC[N+]2(C)CC(=O)C2=CC=C(Cl)C=C2)C=C1OC
|
|
| MolPort-008-440-375 |
0.68 |
Cl.COC1=CC2=C(C=C1)C(CC1=CC=CC=C1)NCC2
|
|
| MolPort-046-142-120 |
0.68 |
Cl.COC1=CC(OC)=C2C(CCNC2(C)C)=C1
|
|
| MolPort-003-733-563 |
0.68 |
COC1=C(OC)C=C2C(NCCC2=C1)C1CC1
|
|
| MolPort-008-440-376 |
0.68 |
Cl.COC1=C(OC)C=C2C(CC(C)C)NCCC2=C1
|
|
| MolPort-001-742-665 |
0.68 |
CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
|
|
| MolPort-002-512-839 |
0.68 |
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-005-945-897 |
0.68 |
CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-027-850-047 |
0.68 |
OC(=O)C(O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2
|
|
| MolPort-009-758-369 |
0.68 |
Cl.Cl.COC1=CC(C[C@@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
|
|
| MolPort-000-725-509 |
0.68 |
[Cl-].[Cl-].COC1=CC(CC2[NH+](C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4[NH+](C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
|
|
| MolPort-044-179-535 |
0.68 |
COC1=C2C(CC3=CC=C(NC(C)=O)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-152-893 |
0.68 |
Cl.COC1=CC2=C(C=C1OC)C(NC(C)(C)C2)C1=CC=CC=C1
|
|
| MCULE-9280139201 |
0.68 |
[N+]1(C)(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(OC)C(OC)=C1)CC(=O)C1=CC=C(Cl)C=C1
|
|
| MCULE-6991996661 |
0.68 |
COC1=CC2CCNC(C)(C)C=2C(OC)=C1.Cl
|
|
| MCULE-6980021409 |
0.68 |
Cl.C12C=CC(=CC=1CCNC2CC1C=CC=CC=1)OC
|
|
| MCULE-6312725175 |
0.68 |
[Cl-].C1(OC)C(OC)=CC2C[NH+](CC3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
|
|
| MCULE-1681980695 |
0.68 |
COC1C(OC)=CC2=C(CCNC2C2CC2)C=1
|
|
| MCULE-8073345152 |
0.68 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC.Cl
|
|
| MCULE-3329567447 |
0.68 |
C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-3993706568 |
0.68 |
C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
|
|
| MCULE-9876526208 |
0.68 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC
|
|
| MCULE-6278276399 |
0.68 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC.C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC.C(O)(=O)C(O)=O
|
|
| MCULE-7839566309 |
0.68 |
Cl.Cl.C12=C3CCN(C)[C@@]1([H])CC1=C(C=C(C(OC4=CC(OC)=C(C=C4C[C@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-9694461865 |
0.68 |
[Cl-].[Cl-].C12=C3CC[NH+](C)C1CC1=C(C=C(C(OC4=CC(OC)=C(C=C4CC4C5=CC(OC)=C(C=C5CC[NH+]4C)OC)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-1217098862 |
0.68 |
COC1C(OC)=C(OC)C=C(C(NC(CC2C=CC=CC=2C)C)C)C=1
|
|
| MCULE-3809012200 |
0.68 |
C12C(O)=C(OC)C(OC)=CC=1C1CN(C2)CC2C1=CC(=C(O)C=2)OC
|
|
| MCULE-6344329781 |
0.68 |
Cl.C12C=C(OC)C(=CC=1CC(NC2C1C=CC=CC=1)(C)C)OC
|
|
| MCULE-6355533518 |
0.68 |
C12C(CCN(C)C1CC1=CC=C(C=C1)NC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4517442642 |
0.68 |
C12C(CC3C=CC(OCC4C=CC=CC=4)=CC=3)NCCC1=CC(OC)=C(OC)C=2
|
|
| MCULE-2840940911 |
0.68 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(OCOC2=CC=C(C=C2)CC2N(C)CCC3=CC(OC)=C(OC)C=C23)=CC=1)OC.C(O)(=O)C(O)=O
|
|
| MCULE-3054984599 |
0.68 |
[N+]1(C)(C)CCC2C=C(OC)C(OCC3C=CC=CC=3)=CC=2C1CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-4172130366 |
0.68 |
[NH+]1(C)CCC2C=C(OC)C(OC)=CC=2C1CC1C=CC(=CC=1)OCOC1=CC=C(C=C1)CC1C2=CC(OC)=C(C=C2CC[NH+]1C)OC.C(=O)([O-])C(O)=O.C(=O)([O-])C(O)=O
|
|
| MCULE-8766666935 |
0.68 |
[N+]1(C)(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(OC)C(OC)=C1)CC(=O)C1=CC=C(Cl)C=C1.[Br-]
|
|
| MCULE-6009635175 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(OC)=C1OC)OC
|
|
| MCULE-8901980289 |
0.68 |
C12CC(C)NCC1=CC(OC)=C(OC)C=2
|
|
| MCULE-1724384420 |
0.68 |
COC1=C(O)C(OC)=CC(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=C1
|
|
| MCULE-5162546240 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1O
|
|
| MCULE-1536144090 |
0.68 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(OC)=C1O
|
|
| MCULE-4834377894 |
0.68 |
C1(OC)C(OC)=CC(=CC=1OC)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-9938355481 |
0.68 |
C12CC(C)(C)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-7500545716 |
0.68 |
COC1=CC(OC)=CC(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=C1
|
|
| MCULE-6142159201 |
0.68 |
C12CCNC(C1=CC(=C(C=2)OC)OC)CCO
|
|
| MCULE-6205003288 |
0.68 |
C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-4612371058 |
0.68 |
C12=C(CCNC1([H])C(C)CO)C=C(C(OC)=C2)OC
|
|
| MCULE-5419556836 |
0.68 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC(OC)=CC=C1OC)OC
|
|
| MCULE-6176661820 |
0.68 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl
|
|
| MCULE-9330327410 |
0.68 |
[H]Cl.[H]Cl.COC1C(OC)=CC2CCN[C@H](C[C@H]3C[C@]4([H])N(CCC5C4=CC(OC)=C(OC)C=5)C[C@@H]3CC)C=2C=1
|
|
| MCULE-1754478820 |
0.68 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC.Cl[H].Cl[H]
|
|
| MCULE-3232466040 |
0.68 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl.Cl
|
|
| MCULE-6495665471 |
0.68 |
N12CC(CC)C(CC3NCCC4=CC(OC)=C(OC)C=C34)CC1C1C=C(OC)C(OC)=CC=1CC2.Br
|
|
| MCULE-9674501627 |
0.68 |
Cl.C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-8730131893 |
0.68 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5734040327 |
0.68 |
COC1C=CC(C(NCC2C=CC=C(O)C=2)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-1567603615 |
0.68 |
C12C=C(C(OC)=CC=1CCN(CCC)[C@H]2C)OC
|
|
| MCULE-7185387779 |
0.68 |
C1(CN2CCC3=C(C=CC=C3)C2)=CC(OC)=C(C=C1OC)OC
|
|
| MolPort-009-757-490 |
0.68 |
OC(=O)C(O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)N(C)CC2
|
|
| MolPort-000-736-374 |
0.68 |
OC(=O)C([O-])=O.OC(=O)C([O-])=O.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCOC3=CC=C(CC4[NH+](C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)C=C1)[NH+](C)CC2
|
|
| MolPort-002-160-291 |
0.68 |
COC1=C(OC)C(OC)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C2=CC(Cl)=CC=C2)C=C1
|
|
| MolPort-016-585-418 |
0.68 |
COC1=CC=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1O
|
|
| MolPort-003-249-823 |
0.68 |
COC1=CC(CN2CCC3=C(C2)C=C(OC)C(OC)=C3)=CC(OC)=C1O
|
|
| MolPort-002-141-931 |
0.68 |
COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=CC(OC)=C1OC
|
|
| MolPort-003-180-728 |
0.68 |
COC1=CC(OC)=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1
|
|
| MolPort-002-054-183 |
0.68 |
COC1=C(OC)C=C2[C@H](NCCC2=C1)[C@@H](C)CO
|
|
| MolPort-044-605-144 |
0.68 |
Cl.COC1=CC2=C(C=C1OC)C1(CCC1)NCC2
|
|
| MolPort-016-584-190 |
0.68 |
COC1=CC(C2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC)C=C1
|
|
| MolPort-000-731-722 |
0.68 |
O.[Cl-].[Cl-].CC[C@H]1C[NH+]2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-039-140-629 |
0.68 |
Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
|
|
| MolPort-004-964-890 |
0.68 |
Cl.CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-003-928-002 |
0.68 |
O.Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-046-600-619 |
0.68 |
COC1=C(OC)C=C2C(CC(C3=CC=CC=C3)C3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-027-835-921 |
0.68 |
Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-002-514-217 |
0.68 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-373 |
0.68 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-140-820 |
0.68 |
COC1=CC(CN2CCC3=CC=CC=C3C2)=C(OC)C=C1OC
|
|
| MolPort-003-179-349 |
0.67 |
COC1=C(OC)C=C2C(NCCC2=C1)C1=C(OC)C=CC=C1
|
|
| MolPort-004-650-197 |
0.67 |
COC1=CC2=C(CN(CC3=C(O)C=CC4=CC=CC=C34)CC2)C=C1OC
|
|
| MolPort-016-585-330 |
0.67 |
Cl.COC1=C(OC)C=C2CN(CC3=C(O)C=CC=C3)CCC2=C1
|
|
| MolPort-023-277-859 |
0.67 |
Cl.COC1=CC2=C(CC(C)NC2)C=C1OC
|
|
| MolPort-003-180-228 |
0.67 |
COC1=CC(=CC(OC)=C1)C1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-005-822-849 |
0.67 |
COC1=CC2=C(C=C1OC)C(N(CC1=C(O)C=CC3=CC=CC=C13)CC2)C1=CC=CC=C1
|
|
| MolPort-021-167-883 |
0.67 |
COC1=CC=C2CCNCC2=C1OC
|
|
| MolPort-003-733-569 |
0.67 |
COC1=C(OC)C=C2C(CCC3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-001-929-386 |
0.67 |
COC1=C(OC)C=C2C(C)[N+](C)(C)CCC2=C1
|
|
| MolPort-002-054-051 |
0.67 |
COC1=C(OC)C=C2C(CC#N)NCCC2=C1
|
|
| MolPort-045-901-455 |
0.67 |
COC1=CC(=CC(OC)=C1O)C1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-000-496-747 |
0.67 |
COC1=CC(=CC(OC)=C1OC)C1NCCC2=CC(O)=C(O)C=C12
|
|
| MolPort-002-054-187 |
0.67 |
COC1=C(OC)C=C2C(NCCC2=C1)C(CO)CO
|
|
| MolPort-002-131-859 |
0.67 |
COC1=CC(=CC(OC)=C1OC)C1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-003-179-350 |
0.67 |
COC1=CC=CC(C2NCCC3=CC(OC)=C(OC)C=C23)=C1OC
|
|
| MolPort-002-714-271 |
0.67 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(OC)C=C(OC)C=C1
|
|
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0.67 |
COC1=CC(=CC(OC)=C1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C(C)C
|
|
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0.67 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=C(OC)C=CC=C2)C=C1OCC
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|
| MolPort-002-515-612 |
0.67 |
COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-000-731-251 |
0.67 |
[I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-522-202 |
0.67 |
COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-002-516-603 |
0.67 |
COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-6174018931 |
0.67 |
C1(C(=CC2C(CC3C=C(OC)C(OC)=CC=3)N(C(=O)C3C=CC=CC=3)CCC=2C=1)OC)OC
|
|
| MCULE-9342922589 |
0.67 |
[Cl-].[N+]1(C)(C)CCC2C=C(OC)C(OCC3C=CC=CC=3)=CC=2C1CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-2017822931 |
0.67 |
C12C=C(O)C(=CC=1CCN(C)C2CC1C=CC(=C(O)C=1)O)O
|
|
| MCULE-4805251676 |
0.67 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C
|
|
| MCULE-6516419229 |
0.67 |
COC1C=CC2CCNCC=2C=1OC
|
|
| MCULE-6223536768 |
0.67 |
COC1C=CC(CNC(CC2C=CC(OC)=C(OC)C=2)C)=C(OC)C=1
|
|
| MCULE-2821822411 |
0.67 |
C1(OC)=C(OC)C=C2C(CCNC2)=C1OC
|
|
| MCULE-7595304784 |
0.67 |
Cl.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1O
|
|
| MCULE-5974205611 |
0.67 |
C1(C(O)=CC=C2C=CC=CC=12)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-2503912597 |
0.67 |
Cl.C12CC(C)(C)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-9171599789 |
0.67 |
C12CNC(C)CC=1C=C(OC)C(OC)=C2.Cl
|
|
| MCULE-3833284194 |
0.67 |
C12C(CCNC1C1C=C(OC)C(=C(OC)C=1)OC)=CC(=C(O)C=2)O
|
|
| MCULE-1882199230 |
0.67 |
C12C(CCNC1C1C=C(OC)C(=C(OC)C=1)OC)=CC(=C(OC)C=2)OC
|
|
| MCULE-7065918854 |
0.67 |
C12=C(CCNC1C1C=C(OC)C=C(OC)C=1)C=C(C(OC)=C2)OC
|
|
| MCULE-1062126284 |
0.67 |
C12=C(CCNC1C1C=C(OC)C(=C(OC)C=1)O)C=C(C(OC)=C2)OC
|
|
| MCULE-3081400448 |
0.67 |
C12=C(CCNC1C1=CC=CC(OC)=C1OC)C=C(C(OC)=C2)OC
|
|
| MCULE-6015231694 |
0.67 |
C12=C(CCNC1C1=CC=CC=C1OC)C=C(C(OC)=C2)OC
|
|
| MCULE-5858172771 |
0.67 |
C12C(CCC3C=CC=CC=3)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-6637929468 |
0.67 |
C12C(CCNC1C(CO)CO)=CC(=C(OC)C=2)OC
|
|
| MCULE-7524574681 |
0.67 |
[I-].C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-5849850621 |
0.67 |
C12C(CC#N)NCCC1=CC(=C(OC)C=2)OC
|
|
| MCULE-1717532294 |
0.67 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC2=C3C(C=CC=C3)=CC=C2O)=C1
|
|
| MCULE-4703348677 |
0.67 |
C12=CC(OCC)=C(OC)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-1060457103 |
0.67 |
C12=C(CCNC1C1=CC=C(C=C1OC)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8005364708 |
0.67 |
C1(OC)C=C2CCN(C(C3=CC(=CC(OC)=C3)OC)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-8760859824 |
0.67 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1OC
|
|
| MCULE-3411300988 |
0.67 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2028522222 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5525078601 |
0.67 |
N1(C(OCC)=O)CCC2C(=CC(=C(OC)C=2OC2=C(OC)C=C3C(C(CC4C=CC(OCC5C=CC=CC=5)=CC=4)N(CC3)C(OCC)=O)=C2)O)C1CC1=CC=C(OCC2=CC=CC=C2)C=C1
|
|
| MCULE-7892787421 |
0.67 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CC2=C(C=CC=C2)C1
|
|
| MCULE-2549093099 |
0.67 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(=C1)OC1=CC=C(C=C1)Cl
|
|
| MCULE-5992023637 |
0.67 |
Cl.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(=C1)OC1C=CC(Cl)=CC=1
|
|
| MCULE-7780395963 |
0.67 |
C12=C(CCNC1C1=CC=CC(OC)=C1O)C=C(C(OC)=C2)OC
|
|
| MCULE-5282385555 |
0.67 |
C12=C(CCNC1C1C=CC=CC=1O)C=C(C(OC)=C2)OC
|
|
| MCULE-1428017179 |
0.67 |
C12C=C(OC)C(=CC=1CC(NC2C1=CC=CC=C1)(CC)CC)OC
|
|
| MCULE-5024944275 |
0.67 |
C12C(C)N(C)CC(O)C1=CC(OC)=C(OC)C=2O
|
|
| MCULE-4457029529 |
0.67 |
C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
|
|
| MCULE-2160146171 |
0.67 |
C1(C=C2C(=CC=1OC)C(CC1=CC(OC)=C(OC)C=C1)N(C(C1C=CC(OC)=CC=1)=O)CC2)OC
|
|
| MCULE-7041080633 |
0.67 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(=C(OC)C=1)OC)C(=O)C1CC1
|
|
| MCULE-1514692384 |
0.67 |
C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-9318246296 |
0.67 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-8302105686 |
0.67 |
[H]Cl.C1(=C(OC)C=C2C(CCNC2C2=CC(OC)=C(OC)C(OC)=C2)=C1)OC
|
|
| MCULE-1495043775 |
0.67 |
C1(C=C2C(=CC=1OC)C(CC1=CC=C(OC)C(OC)=C1)N(C(C1C=CC(CC)=CC=1)=O)CC2)OC
|
|
| MCULE-2669196831 |
0.67 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(CCl)=O
|
|
| MCULE-5148542802 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3689751657 |
0.67 |
[Cl-].C12=C(CC[NH2+]C1C1=CC(OC)=C(C(OC)=C1)OC)C=C(C(O)=C2)O
|
|
| MCULE-2253532590 |
0.67 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C.[I-]
|
|
| MCULE-5574153733 |
0.67 |
C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-3064603982 |
0.67 |
C12C(CCN(C)C1CC1C=CC(=CC=1)NC(C(C)C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-7702040085 |
0.67 |
C1(OC)C(OC)=CC=C(CNC(C2C=CC=CC=2)CC2=CC=CC=C2)C=1OC
|
|
| MCULE-4172303877 |
0.67 |
C12C(CCN(C)C1CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5660778036 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-2081124866 |
0.67 |
C12C(CC3=CC=CC=C3)N(C)CC(O)C1=CC(OC)=C(O)C=2
|
|
| MCULE-1695698142 |
0.67 |
[H]Cl.C12=C(CCNC1C1=CC=C(C=C1OC)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-6856542435 |
0.67 |
C1(OC)=C(OC)C=C2C(CC[NH2+]C2)=C1OC.[Cl-]
|
|
| MolPort-001-728-078 |
0.67 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2CC2)C=C1OC
|
|
| MolPort-009-757-932 |
0.67 |
Cl.COC1=C(OC)C=C2CN(CC3=CC=CC(OC4=CC=C(Cl)C=C4)=C3)CCC2=C1
|
|
| MolPort-001-728-223 |
0.67 |
COC1=CC=C(C=C1)C(=O)N1CCC2=C(C=C(OC)C(OC)=C2)C1CC1=CC(OC)=C(OC)C=C1
|
|
| MolPort-002-511-558 |
0.67 |
CCC1(CC)CC2=C(C=C(OC)C(OC)=C2)C(N1)C1=CC=CC=C1
|
|
| MolPort-044-722-220 |
0.67 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CC2=CC=CC=C2C1
|
|
| MolPort-002-510-674 |
0.67 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-002-140-895 |
0.67 |
COC1=C(OC)C=C2CN(CC3=CC=CC(OC4=CC=C(Cl)C=C4)=C3)CCC2=C1
|
|
| MolPort-001-886-051 |
0.67 |
COC1=C(OC)C=C2C(NCCC2=C1)C1=C(O)C=CC=C1
|
|
| MolPort-001-900-115 |
0.67 |
COC1=CC=CC(C2NCCC3=CC(OC)=C(OC)C=C23)=C1O
|
|
| MolPort-002-515-137 |
0.67 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-596-509 |
0.67 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-526-039 |
0.67 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-111 |
0.67 |
COC1=C2C(CC(C)=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-360-678 |
0.67 |
Cl.COC1=CC(=CC(OC)=C1OC)C1NCCC2=CC(O)=C(O)C=C12
|
|
| MolPort-000-824-393 |
0.67 |
COC1=C2C(CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-074 |
0.67 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)CCl)C=C1OC
|
|
| MolPort-001-728-225 |
0.67 |
CCC1=CC=C(C=C1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC1=CC(OC)=C(OC)C=C1
|
|
| MolPort-000-831-098 |
0.67 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-000-705-126 |
0.67 |
[I-].COC1=C(OC)C=C2[C@H](C)[N+](C)(C)CCC2=C1
|
|
| MolPort-044-179-714 |
0.67 |
COC1=C2C(CC3=CC=C(NC(=O)C(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-769-292 |
0.67 |
[Cl-].COC1=CC(=CC(OC)=C1OC)C1[NH2+]CCC2=CC(O)=C(O)C=C12
|
|
| MolPort-001-505-009 |
0.67 |
COC1=CC=C(CNC(CC2=CC=CC=C2)C2=CC=CC=C2)C(OC)=C1OC
|
|
| MolPort-000-698-309 |
0.66 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-713-868 |
0.66 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(O)C=CC=C1OC
|
|
| MolPort-003-181-932 |
0.66 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-003-182-328 |
0.66 |
COC1=CC(O)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C2=CC(Cl)=CC=C2)C=C1
|
|
| MolPort-000-712-320 |
0.66 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCC3)CC2=C1
|
|
| MolPort-000-717-322 |
0.66 |
[Cl-].CCC1(CC)CC2=CC(OC)=C(OC)C=C2C([NH2+]1)C1=CC=CC=C1
|
|
| MolPort-037-543-694 |
0.66 |
COC1=CC2=C(CN(CCCC3=CC=CC=C3)CC2)C=C1OC
|
|
| MolPort-002-508-854 |
0.66 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-039-009-201 |
0.66 |
COC1=CC2=C(C=C1OC)C1CC(CCN1CC2)C1=CC=CC=C1
|
|
| MolPort-002-085-921 |
0.66 |
Cl.CCC1(CC)CC2=C(C=C(OC)C(OC)=C2)C(N1)C1=CC=CC=C1
|
|
| MolPort-001-974-917 |
0.66 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
|
|
| MolPort-045-902-503 |
0.66 |
COC1=CC2=C(CN(CCC(C)C3=CC=CC=C3)CC2)C=C1OC
|
|
| MolPort-016-586-282 |
0.66 |
COC1=C(C)C(OC)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C2=CC(Cl)=CC=C2)C=C1
|
|
| MolPort-001-728-063 |
0.66 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C=C(C#N)C#N)C=C1OC
|
|
| MolPort-045-902-304 |
0.66 |
COC1=CC2=C(C=C1OC)C1(CCCCC1)CNC2CCC1=CC=CC=C1
|
|
| MolPort-003-733-416 |
0.66 |
COC1=CC2=C(C=C1)C(NCC2)C(C)C
|
|
| MolPort-002-514-439 |
0.66 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-653-416 |
0.66 |
Cl.COC1=C2C(CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-244 |
0.66 |
COC1=C2C(CC(=O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-737-576 |
0.66 |
[I-].COC1=C2C(CC(C)=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-209 |
0.66 |
COC1=CC(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-002-513-218 |
0.66 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-289 |
0.66 |
COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-516-922 |
0.66 |
COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-693 |
0.66 |
COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-000-834-329 |
0.66 |
COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-882 |
0.66 |
COC1=CC=C(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-045-991-505 |
0.66 |
COCCCN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-002-714-620 |
0.66 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(OC)C=C(OC)C(OC)=C1
|
|
| MolPort-003-179-351 |
0.66 |
COC1=CC(C2NCCC3=CC(OC)=C(OC)C=C23)=C(OC)C=C1
|
|
| MolPort-046-763-883 |
0.66 |
COC1=C(OC)C(CO)=C(C=C1)[C@H](O)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MCULE-3361101464 |
0.66 |
C12CN(C)CCC1=CC=C(OC)C=2O
|
|
| MCULE-5476029012 |
0.66 |
C12C(C)N(C)CCC1=CC(O)=C(OC)C=2
|
|
| MCULE-8766903773 |
0.66 |
CCC1C2=C(C=C(C=C2)OC)CCN1
|
|
| MCULE-4192923499 |
0.66 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3627009950 |
0.66 |
C12=C(CCN(C)C1CC(CCC1C=CC3=C(OCO3)C=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5907992453 |
0.66 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-7347258827 |
0.66 |
C12=C(CCN(C)C1CC(CCC1C=CC(=C(OC)C=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5035620957 |
0.66 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4253336600 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5473096762 |
0.66 |
Cl.C12=C(CCN(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7540454870 |
0.66 |
[I-].C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4484166424 |
0.66 |
[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(OC)C(C2=CC(CC3C4=CC(OC)=C(C=C4CC[N+]3(C)C)OC)=CC=C2OC)=C1
|
|
| MCULE-3838596878 |
0.66 |
C1(=CC(OC)=C(C=C1OC)OC)C1NCCC2C=C(C(OCC)=CC1=2)OCC
|
|
| MCULE-6576073593 |
0.66 |
C1(=CC(CC2NCCC3=C2C=C(C(OC)=C3)OC)=CC=C1O)C1=CC(CC2NCCC3=C2C=C(C(OC)=C3)OC)=CC=C1O
|
|
| MCULE-1942001997 |
0.66 |
COC1=C(OC)C=C2CN(CC3=C(O)C=C4CCCC4=C3)CCC2=C1
|
|
| MCULE-1012773985 |
0.66 |
[Cl-].C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-9251664006 |
0.66 |
COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-1154490579 |
0.66 |
N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1=CC=CC=C1
|
|
| MCULE-5165653416 |
0.66 |
C12=C(CCNC1C1=CC(OC)=CC=C1OC)C=C(C(OC)=C2)OC
|
|
| MCULE-2580202854 |
0.66 |
C12=C(CCN(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9824572468 |
0.66 |
C12C(CCN(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4722878192 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4488135397 |
0.66 |
C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1239040532 |
0.66 |
C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8952586676 |
0.66 |
C(C)(=O)OC1C=CC(CC2C3C=C(OC)C(OC)=C(C=3CCN2C)OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-1523077282 |
0.66 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-5136907017 |
0.66 |
Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-4515701134 |
0.66 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(=O)C1C=CC(=CC=1)C
|
|
| MCULE-2190839823 |
0.66 |
[Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-5593923284 |
0.66 |
C12C(CC3=CC=CC=C3)NCCC1=CC(OC)=C(OCC1=CC=CC=C1)C=2.Cl
|
|
| MCULE-5023572544 |
0.66 |
[H]Cl.C1(NCCC2C=C(C(OCC)=CC1=2)OCC)C1=C(C=CC=C1O)OC
|
|
| MCULE-2040765671 |
0.66 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC
|
|
| MCULE-5750570919 |
0.66 |
[Cl-].C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-6081058328 |
0.66 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2.Cl
|
|
| MCULE-5345347233 |
0.66 |
C12CN(C)CCC=1C=C1C(OCO1)=C2OC
|
|
| MCULE-4673928430 |
0.66 |
Cl.C12C(CCNC1C1=CC=C(OC)C=C1OC)=CC(O)=C(O)C=2
|
|
| MCULE-1477999849 |
0.66 |
C12C(CCNC1C1=CC=CC(OC)=C1OC)=CC(O)=C(O)C=2.Cl
|
|
| MCULE-7811024420 |
0.66 |
C12=C(CCNC1C1=CC(OC)=CC=C1O)C=C(C(OC)=C2)OC
|
|
| MCULE-9823585858 |
0.66 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1OCC
|
|
| MCULE-1841070863 |
0.66 |
Cl.C12CN(C)CCC1=CC=C(OC)C=2O
|
|
| MCULE-2963861489 |
0.66 |
CCCN1CC2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-3884418649 |
0.66 |
C12C(CCN(C)C1CC1C=CC(=CC=1)NC(C1C=CC=CC=1)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8491594091 |
0.66 |
Cl.CCC1C2=C(C=C(C=C2)OC)CCN1
|
|
| MCULE-9277329526 |
0.66 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(C)C1=CC=CC=C1
|
|
| MCULE-9783615335 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4400069664 |
0.66 |
C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
|
|
| MCULE-3528726804 |
0.66 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-8925829552 |
0.66 |
[I-].[I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(OC)C(C2=CC(CC3C4=CC(OC)=C(C=C4CC[N+]3(C)C)OC)=CC=C2OC)=C1
|
|
| MCULE-4773701981 |
0.66 |
C1(=CC(OC)=C(C=C1OC)OC)C1NCCC2C=C(C(OCC)=CC1=2)OCC.[H]Cl
|
|
| MCULE-8835467700 |
0.66 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
|
|
| MCULE-5941065349 |
0.66 |
C12C(CC(C)C)NCCC1=CC(OC)=C(OCC)C=2
|
|
| MCULE-2955483198 |
0.66 |
C1(OC)C(OC)=CC2C[NH+](CC3C(Cl)=CC=CC=3)C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-8916714448 |
0.66 |
C1(OC)C(OC)=CC2C[NH+](CC3C(Cl)=CC=CC=3)C(C)(C)CC=2C=1
|
|
| MCULE-9866809094 |
0.66 |
C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-9021428536 |
0.66 |
[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-1702638590 |
0.66 |
[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1C=CC=CC=1
|
|
| MCULE-9661243315 |
0.66 |
C12CCNC(C1=CC(=C(C=2)OC)OC)CCCO
|
|
| MCULE-8183680162 |
0.66 |
C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2468125249 |
0.66 |
C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-9454496995 |
0.66 |
N1(CC2=CC=C(Br)C=C2)CC2C=C(OC)C(=CC=2CC1(C)C)OC
|
|
| MCULE-7390336494 |
0.66 |
COC1C(OC)=C(OC)C=C(C(NC2CC3C=CC=CC=3CC2)C)C=1
|
|
| MCULE-1777801929 |
0.66 |
C1(OC)C(OC)=C(OC)C=CC=1[C@H]1CCCN1
|
|
| MCULE-1147835099 |
0.66 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=C(C(OC)=C1)OC)OC
|
|
| MCULE-1120736872 |
0.66 |
C1(OC)C(OC)=C(OC)C=CC=1C1CCCN1
|
|
| MCULE-7922522252 |
0.66 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=CC(OC)=C1)OC
|
|
| MCULE-6834655704 |
0.66 |
C1(OC)C(OC)=C(OC)C=CC=1[C@@H]1CCCN1
|
|
| MCULE-9371937190 |
0.66 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9930157051 |
0.66 |
[I-].C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5267015184 |
0.66 |
[I-].C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9100599955 |
0.66 |
COC1C(OC)=C(OC)C=C(C(NC(CC2C=CC=CC=2OC)C)C)C=1
|
|
| MCULE-3506509457 |
0.66 |
C1(CNC(C2C=CC=CC=2)CC2=CC=CC=C2)=CC(OC)=C(C=C1OC)OC
|
|
| MCULE-6259345237 |
0.66 |
[I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-2190119760 |
0.66 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(C)=C1OC)OC
|
|
| MCULE-2694040969 |
0.66 |
C12=CC(=C(OC)C=C1CCN(/C=C(\C#N)/C#N)C2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MCULE-5543469571 |
0.66 |
[NH2+]1C2(CCCC2)CC2=C(C=C(C(OC)=C2)OC)C1CC=C.[Cl-]
|
|
| MCULE-1332611476 |
0.66 |
C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-7681675590 |
0.66 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1O)OC
|
|
| MCULE-9950210114 |
0.66 |
C1(NCCC2C=C(C(OCC)=CC1=2)OCC)C1=C(C=CC=C1O)OC
|
|
| MCULE-9841539432 |
0.66 |
C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1123648043 |
0.66 |
C12C(CC3=CC=CC=C3)NCCC1=CC(OC)=C(OCC1=CC=CC=C1)C=2
|
|
| MCULE-8850292099 |
0.66 |
C12C3(CCCCC3)CNC(CCC3=CC=CC=C3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1404160175 |
0.66 |
C12C(CC3C=CC(OCC4C=CC=CC=4)=CC=3)NCCC1=CC(OC)=C(O)C=2
|
|
| MCULE-2001165445 |
0.66 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9637383095 |
0.66 |
C12C=C(OC)C(=CC=1CC(NC2C1=CC=CC=C1)(CC)CC)OC.Cl
|
|
| MCULE-6720292628 |
0.66 |
C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1683851938 |
0.66 |
C12C(CCNC1C1=CC=CC(OC)=C1OC)=CC(O)=C(O)C=2
|
|
| MCULE-6139767432 |
0.66 |
C12C(CCNC1C1=CC=C(OC)C=C1OC)=CC(O)=C(O)C=2
|
|
| MCULE-4239205032 |
0.66 |
C12CN(CCC=1C=C(OC)C(OC)=C2)CCC(C)C1=CC=CC=C1
|
|
| MCULE-9182503057 |
0.66 |
C12CN(CCCC3C=CC=CC=3)CCC=1C=C(OC)C(OC)=C2
|
|
| MolPort-002-513-142 |
0.66 |
COC1=C2C(CC(=O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-593 |
0.66 |
COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-926 |
0.66 |
COC1=C2C(CC(=O)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-458 |
0.66 |
COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-997 |
0.66 |
CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-712-023 |
0.66 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCC
|
|
| MolPort-003-181-784 |
0.66 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-000-727-084 |
0.66 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCCC3)CC2=C1
|
|
| MolPort-006-328-881 |
0.66 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2=CC=C(C)C=C2)C=C1OC
|
|
| MolPort-009-758-234 |
0.66 |
[Br-].COC(=O)C[N+]1(C)CCC2=CC(OC)=C(OC)C=C2C1CC1=CC=C(O)C=C1
|
|
| MolPort-002-112-025 |
0.66 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
|
|
| MolPort-023-276-304 |
0.66 |
Cl.COC1=CC2=C(C=C1O)C(CCC1=CC=C(Cl)C=C1)N(C)CC2
|
|
| MolPort-000-704-377 |
0.66 |
[Cl-].COC1=CC=C(CCC2[NH2+]CC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-000-741-163 |
0.66 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH2+][C@H]2C
|
|
| MolPort-016-583-911 |
0.66 |
COC1=CC(C2NCCC3=CC(OC)=C(OC)C=C23)=C(O)C=C1
|
|
| MolPort-009-757-663 |
0.66 |
Cl.COC1=CC=C(CCC2NCC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-513-159 |
0.66 |
COC1=C2CN(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-140-987 |
0.66 |
CCOC1=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=CC=C1
|
|
| MolPort-042-605-700 |
0.66 |
Cl.CCC1NCCC2=CC(OC)=CC=C12
|
|
| MolPort-044-180-276 |
0.66 |
COC1=C2C(CC3=CC=C(NC(=O)C4=CC=CC=C4)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-660 |
0.66 |
COC1=C2C(CC(=O)CC3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-730-695 |
0.66 |
[I-].COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-020-108-589 |
0.66 |
CCCN1CCC2=CC(OC)=C(OC)C=C2C1
|
|
| MolPort-016-585-309 |
0.66 |
COC1=C(OC)C=C2CN(CC(C)C3=CC=CC=C3)CCC2=C1
|
|
| MolPort-000-717-312 |
0.66 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-483 |
0.66 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
|
|
| MolPort-009-757-991 |
0.66 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-745-031 |
0.66 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-724-870 |
0.66 |
[I-].COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-710-064 |
0.66 |
COC1=C(OC)C=C2C(CCNC2(C)C(C)(C)O)=C1
|
|
| MolPort-001-680-930 |
0.66 |
COC1=CC2=C(CC(C)(C)N(CC3=CC=C(Br)C=C3)C2)C=C1OC
|
|
| MolPort-009-758-069 |
0.66 |
Cl.COC1=C(OC)C=C2[C@H](C)N(CC3(CCCC3)C3=CC=CC=C3)CCC2=C1
|
|
| MolPort-000-710-044 |
0.66 |
[Cl-].COC1=C(OC)C=C2[C@H](C)[NH+](CC3(CCCC3)C3=CC=CC=C3)CCC2=C1
|
|
| MolPort-002-715-078 |
0.66 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CC)CC
|
|
| MolPort-002-715-079 |
0.66 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(C)CC
|
|
| MolPort-001-621-799 |
0.66 |
COC1=CC(CNC(CC2=CC=CC=C2)C2=CC=CC=C2)=C(OC)C=C1OC
|
|
| MolPort-000-701-087 |
0.66 |
[I-].COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-985-359 |
0.66 |
COC1=CC2=C(C=C1OC)C(C)N(CC=C)CC2
|
|
| MolPort-045-901-976 |
0.66 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=CC(OC)=C(OC)C=C1
|
|
| MolPort-000-719-711 |
0.66 |
[I-].CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-137-267 |
0.66 |
COC1=CC=CC(=C1)C1N(C)CCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-000-706-016 |
0.66 |
[I-].COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-986-980 |
0.65 |
OC1=CC=C(CC2NCCC3=CC(O)=C(O)C=C23)C=C1
|
|
| MolPort-001-832-917 |
0.65 |
COC1=CC2=C(CN(C)CC2)C=C1OC
|
|
| MolPort-000-938-003 |
0.65 |
COC1=CC=C(CCNCC2=CC=C(OC)C(OC)=C2OC)C=C1OC
|
|
| MolPort-004-964-935 |
0.65 |
OC1=CC=C(CC2NCCC3=CC(O)=C(O)C=C23)C=C1O
|
|
| MolPort-005-272-168 |
0.65 |
COC1=CC(OC)=C2CNCCC2=C1
|
|
| MolPort-002-942-470 |
0.65 |
COC1=C(OC)C=C2[C@H](C)NCCC2=C1
|
|
| MolPort-000-141-653 |
0.65 |
COC1=C(OC)C=C2C(C)NCCC2=C1
|
|
| MolPort-001-728-083 |
0.65 |
COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2CCCCC2)C=C1OC
|
|
| MolPort-016-584-259 |
0.65 |
Cl.Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCN)C2C
|
|
| MolPort-002-520-745 |
0.65 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-128 |
0.65 |
COC1=C2C(CC(=O)CCC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-145 |
0.65 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-513-152 |
0.65 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-236 |
0.65 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-108 |
0.65 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-878 |
0.65 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-777 |
0.65 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-518-995 |
0.65 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-002-513-292 |
0.65 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-821-657 |
0.65 |
COC1=CC2=C(C=C1OC)C(C)N(CCC1=CC=C(Cl)C=C1)CC2
|
|
| MolPort-044-722-162 |
0.65 |
COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=C(O)C=C1
|
|
| MolPort-044-722-227 |
0.65 |
COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=CC=C1
|
|
| MolPort-016-584-191 |
0.65 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=CC=C(C)C=C1
|
|
| MolPort-002-507-020 |
0.65 |
COC1=C2C(CC(O)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-150-185 |
0.65 |
COC1=C(OC)C=C2CN(CC3=C(O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)CCC2=C1
|
|
| MolPort-002-150-422 |
0.65 |
COC1=CC=C(CCC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
|
|
| MolPort-039-033-049 |
0.65 |
COC1=CC2=C(CN3CCC(N)C[C@H]3C2)C=C1OC
|
|
| MolPort-004-121-626 |
0.65 |
COC1=CC2=C(CN(CC2)C(=O)C2=CC=CC=C2OC2=CC=CC=C2)C=C1OC
|
|
| MolPort-002-506-856 |
0.65 |
COC1=C2C(CN)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-734-700 |
0.65 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCCC1)C[NH+](C)C2
|
|
| MolPort-001-619-564 |
0.65 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(C)C2
|
|
| MolPort-002-054-179 |
0.65 |
CCOC1=C(OCC)C=C2C(CCO)NCCC2=C1
|
|
| MolPort-046-761-047 |
0.65 |
COC1=C(OC)C2=C(CC(=O)C3=C(OC)C4=C(OCO4)C=C3CCN(C)C2)C=C1
|
|
| MolPort-000-735-459 |
0.65 |
[Cl-].COC1=CC2=C(CC(C)(C)[NH+](CC3=CC=C(Br)C=C3)C2)C=C1OC
|
|
| MolPort-009-766-779 |
0.65 |
Cl.COC1=CC2=C(CC(C)(C)N(CC3=CC=C(Br)C=C3)C2)C=C1OC
|
|
| MCULE-1979767083 |
0.65 |
C12=CC(=C(OC)C=C1CN(CC2)C)OC
|
|
| MCULE-9579344689 |
0.65 |
COC1C(OC)=CC2=C(CCNC2(C)C)C=1
|
|
| MCULE-3376900525 |
0.65 |
OC1=C(O)C=C(CC2C3=C(C=C(C(=C3)O)O)CCN2)C=C1
|
|
| MCULE-1789472920 |
0.65 |
C12C(C)N(C)CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-5208641014 |
0.65 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-8969475630 |
0.65 |
COC1C(OC)=C(OC)C=C(CNC(CC2C=CC=CC=2C)C)C=1
|
|
| MCULE-5822418145 |
0.65 |
C1C2CCNC(C=2C=C(C=1O)O)CC1C=CC=CC=1
|
|
| MCULE-3469328984 |
0.65 |
C1C=C(CC2NCCC3C=C(O)C(O)=CC2=3)C=CC=1O
|
|
| MCULE-7536573036 |
0.65 |
C12[C@@H](C)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-6678151641 |
0.65 |
C1(OC)C(OC)=CC=C(CNCCC2=CC=C(C(OC)=C2)OC)C=1OC
|
|
| MCULE-5532125488 |
0.65 |
C12C(C)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-4199706131 |
0.65 |
C12CCN[C@@H](C)C=1C=C(C(OC)=C2)OC
|
|
| MCULE-3618491803 |
0.65 |
C1(C(=CC2C(N(C(=O)C3C=CC(Cl)=CC=3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
| MCULE-2790734169 |
0.65 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(=C(OC)C=1)OC)C(C1CCCCC1)=O
|
|
| MCULE-9302373606 |
0.65 |
C1(C(=CC2C(CC3C=C(OC)C(OC)=CC=3)N(C(=S)NC)CCC=2C=1)OC)OC
|
|
| MCULE-6840023402 |
0.65 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC.Cl.Cl
|
|
| MCULE-4708244705 |
0.65 |
C1(CC2N(C)CCC3C=C4C(OCO4)=C(OC)C2=3)C(=CC(=CC=1N(=O)=O)N(=O)=O)N(=O)=O
|
|
| MCULE-2444936690 |
0.65 |
C12CN(C)CCC1=CC1OCOC=1C=2OC.Cl
|
|
| MCULE-1368284170 |
0.65 |
C12=C(CCN(C)C1CC(CC1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4220530900 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8175727011 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9653978221 |
0.65 |
C12=C(CCN(C)C1CC(CC1=CC=C(C=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5237128595 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2801266347 |
0.65 |
C12C(CCN(C)C1CC(CCC(C)=O)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3205404587 |
0.65 |
C12=C(CCN(C)C1CC(O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7608867508 |
0.65 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=C(C=C1)C)OC
|
|
| MCULE-9608406063 |
0.65 |
N1(C(C)CCC2=CC=C(C=C2)OC)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-1596792802 |
0.65 |
N1(C(C)CCC2=CC=C(C=C2)O)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-6478203733 |
0.65 |
C1(CN2CCC3=C(C=C(C(OC)=C3)OC)C2)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O
|
|
| MCULE-8027458524 |
0.65 |
N1(C(C)CCC2C=CC=CC=2)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-8379022534 |
0.65 |
O=C(CC/C=C/CCC(=O)OCCC[N@@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=C(OC)C=1)OC)OC)C)OCCC[N@@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=C(OC)C=1)OC)OC)C
|
|
| MCULE-3675906321 |
0.65 |
C12=CC(=C(OC)C=C1CCN(CC1C=C(C(O)=C(C)C=1)C)C2C)OC
|
|
| MCULE-7130646405 |
0.65 |
COC1C(OC)=CC(OC)=C(CNC(CC2C=CC=CC=2OC)C)C=1
|
|
| MCULE-2340989448 |
0.65 |
COC1=CC2=C(C(NC(C2)C)C)C=C1
|
|
| MCULE-8549974679 |
0.65 |
COC1C=CC(OC)=C(C(NC(CC2C=CC(OC)=C(OC)C=2)C)C)C=1
|
|
| MCULE-9551453241 |
0.65 |
C12C(CN)N(C)CCC=1C=C1C(OCO1)=C2OC
|
|
| MCULE-9415991713 |
0.65 |
COC1=C(OC)C=C2C(CCN(C(C3=C(OC4=CC=CC=C4)C=CC=C3)=O)C2)=C1
|
|
| MCULE-1720666642 |
0.65 |
C1(OC)=C(OC)C=C2CN3CCC(N)C[C@]3(CC2=C1)[H]
|
|
| MCULE-7067373687 |
0.65 |
[H]Cl.C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-7517414708 |
0.65 |
[Cl-].[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-9342278607 |
0.65 |
[H]Cl.C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2722992989 |
0.65 |
[H]Cl.C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5129842203 |
0.65 |
C12C(CCO)NCCC=1C=C(C(OCC)=C2)OCC
|
|
| MCULE-1410384787 |
0.65 |
[Cl-].[NH+]1(CC2C=CC(Br)=CC=2)CC2C=C(OC)C(=CC=2CC1(C)C)OC
|
|
| MCULE-5392134473 |
0.65 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(OCC)=C1O
|
|
| MCULE-5351107853 |
0.65 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)C(C)C)=C1
|
|
| MCULE-3216651256 |
0.65 |
C12(CC3C=C(OC)C(OC)=CC=3C1)N(C)CC1C2=CC=CC=1
|
|
| MCULE-5443813555 |
0.65 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(O)C=C(C)C(C)=C2)=C1
|
|
| MCULE-3682831949 |
0.65 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC(=CC=1)C
|
|
| MCULE-4724114401 |
0.65 |
C12=C(CCN(C)C1CC1=CC(=NN1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4758389578 |
0.65 |
C12C=C(C(OC)=CC=1CCN(C)C2CC1=CC=CC=C1N(=O)=O)OC
|
|
| MCULE-7055943558 |
0.65 |
C1(C(=CC2C(N(C(=S)NCC3C=CC=CC=3)CCC=2C=1)CC1=CC=C(OC)C(OC)=C1)OC)OC
|
|
| MCULE-6758480652 |
0.65 |
Br.OC1=C(O)C=C(CC2C3=C(C=C(C(=C3)O)O)CCN2)C=C1
|
|
| MCULE-9434960460 |
0.65 |
Cl[H].C12C(C)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-3236496906 |
0.65 |
N1(C)CCC2C=C(OC)C(OC)=CC=2C1.Cl
|
|
| MCULE-5286711210 |
0.65 |
[H]Cl.C1C2CCNC(C=2C=C(C=1O)O)CC1C=CC=CC=1
|
|
| MCULE-2230319090 |
0.65 |
Cl.C12[C@H](C)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-4544216229 |
0.65 |
Cl.C12[C@@H](C)NCCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-1051329230 |
0.65 |
C1(CC2=C3C(C=CC=C3)=CC=C2)C2=C(C=C(O)C(O)=C2)CCN1
|
|
| MCULE-7544132883 |
0.65 |
[NH+]1(C)CCC2=C(C=C(C(OC)=C2)O)C1C.[Cl-]
|
|
| MCULE-9182320750 |
0.65 |
[I-].[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-9562123452 |
0.65 |
C1C=C(CC2NCCC3C=C(O)C(O)=CC2=3)C=CC=1O.Cl
|
|
| MCULE-9005101599 |
0.65 |
Cl.COC1C(OC)=CC2=C(CCNC2(C)C)C=1
|
|
| MCULE-9156709024 |
0.65 |
C12C(CCN(C)C1CC(=O)C13CC4CC(CC(C4)C1)C3)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4135055702 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2252449891 |
0.65 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2533535089 |
0.65 |
[I-].C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8473723087 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6262377897 |
0.65 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1366489899 |
0.65 |
C(=O)(C1=C(C=CC=C1OC)OC)N1CCC2C(=CC(=C(OC)C=2)OC)C1C
|
|
| MCULE-7685116318 |
0.65 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(OC)=C1OC
|
|
| MCULE-6277168833 |
0.65 |
C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-9759287908 |
0.65 |
C12CN(C)CCC1=CC(OC)=C1OCOC1=2
|
|
| MCULE-7011532507 |
0.65 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-4040643278 |
0.65 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-5545753641 |
0.65 |
C1(CN2CCC3=C(C=C(C(OC)=C3)OC)C2)=CC(Br)=C(C=C1OC)OC
|
|
| MCULE-9392027088 |
0.65 |
O=C(CC/C=C/CCC(=O)OCCC[N@@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=C(OC)C=1)OC)OC)C)OCCC[N@@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=C(OC)C=1)OC)OC)C.[Cl-].[Cl-]
|
|
| MCULE-2900334347 |
0.65 |
C12C3(CCCCC3)CNCC1=CC(=C(OC)C=2)OC
|
|
| MCULE-5777687652 |
0.65 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=C(C(OC)=CC=1C2=O)OC
|
|
| MCULE-4358698325 |
0.65 |
Cl.C12=CC(=C(OC)C=C1CCN(CC1C=C(C(O)=C(C)C=1)C)C2C)OC
|
|
| MCULE-1293387314 |
0.65 |
C12C(CCNC1C1=CC=CC(OC3C=CC=CC=3)=C1)=CC(O)=C(O)C=2
|
|
| MCULE-8532649673 |
0.65 |
C12C=C(OC)C(=CC=1CCN(CC#N)[C@H]2C)OC
|
|
| MCULE-2830829328 |
0.65 |
C12C=C(OC)C(=CC=1CCN(CC#N)C2C)OC
|
|
| MCULE-7882529624 |
0.65 |
C12=C(CCN(C)C1C1C=CC(=CC=1O)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9675225087 |
0.65 |
C12=CC(OC)=C(C=C1C(CNC2C1C=CC=CC=1)(C)C)OC
|
|
| MCULE-2156282825 |
0.65 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5632900159 |
0.65 |
[Cl-].C12C(CN)[NH+](C)CCC=1C=C1C(OCO1)=C2OC
|
|
| MCULE-7551061127 |
0.65 |
COC1=CC2=C(C(NC(C2)C)C)C=C1.Cl
|
|
| MCULE-7445865036 |
0.65 |
C1(OC)C=C2CCN(C(C3C=CC=CC=3C)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-1307540705 |
0.65 |
C12=C(CCNC1C1CCCCC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8007634455 |
0.65 |
C1(=C(C=CC=C1O)OC)CN1CCCC(C1)N1CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-6775143350 |
0.65 |
C12C(C)(C)CNCC1=CC(=C(OC)C=2)OC
|
|
| MCULE-1949512044 |
0.65 |
C12CNCCC1=CC=C(OC)C=2O
|
|
| MCULE-6177601062 |
0.65 |
C12[C@H](C)NCCC=1C=C(C(OC)=C2)O
|
|
| MCULE-5695452020 |
0.65 |
C12C(C)NCCC=1C=C(C(OC)=C2)O
|
|
| MCULE-8560110200 |
0.65 |
C12C(CCNC1C(CO)CO)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-9998216031 |
0.65 |
[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-1818050283 |
0.65 |
[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-6351661582 |
0.65 |
C12C(CCN(C)C1CC1C=CC(=CC=1)NC(=O)C1=CC=C(C=C1OC)OC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8221964352 |
0.65 |
COC1=C(OC)C(OC)=C(CNC2C3=C(C=CC=C3)CCC2)C=C1
|
|
| MCULE-3756384906 |
0.65 |
C12C(CCN(C)C1CC1C=CC(=CC=1)NC(=O)C1C=CC3=C(OCO3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8303914046 |
0.65 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(O)C=CC(Cl)=C2)=C1
|
|
| MCULE-1549746411 |
0.65 |
C12C(CCN(C)C1CC1C=CC(=CC=1)NC(C(CC)CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MolPort-005-671-381 |
0.65 |
COC1=CC2=C(CN(CC3=CC(C)=C(C)C=C3O)CC2)C=C1OC
|
|
| MolPort-000-715-659 |
0.65 |
[Cl-].COC1=C(OC)C=C2[C@H](C)[NH+](CC=C)CCC2=C1
|
|
| MolPort-009-757-898 |
0.65 |
Cl.COC1=CC2=C(C=C1OC)[C@H](C)N(CC=C)CC2
|
|
| MolPort-004-227-569 |
0.65 |
COC1=CC2=C(C=C1OC)C(N(CC2)C(C)C)C1=CC=CC=C1
|
|
| MolPort-003-181-178 |
0.65 |
CCOC1=CC=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1O
|
|
| MolPort-000-818-593 |
0.65 |
COC1=C2C(CC3=CC(C)=NN3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-471 |
0.65 |
COC1=C2C(CC3=NNC(C)=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-812-684 |
0.65 |
COC1=C(OC)C=C2C(C)N(CC3=CC=C(C)C=C3)CCC2=C1
|
|
| MolPort-002-513-281 |
0.65 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-001-838-604 |
0.65 |
Cl.COC1=C(OC)C=C2C(C)NCCC2=C1
|
|
| MolPort-002-513-174 |
0.65 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
|
|
| MolPort-004-955-214 |
0.65 |
Br.OC1=CC=C(CC2NCCC3=C2C=C(O)C(O)=C3)C=C1O
|
|
| MolPort-044-198-470 |
0.65 |
Cl.COC1=CC(OC)=C2CNCCC2=C1
|
|
| MolPort-009-653-453 |
0.65 |
Cl.COC1=C(OC)C=C2[C@@H](C)NCCC2=C1
|
|
| MolPort-046-765-875 |
0.65 |
Br.OC1=CC=C(CC2NCCC3=CC(O)=C(O)C=C23)C=C1
|
|
| MolPort-046-761-502 |
0.65 |
COC1=C(OC)C(CO)=C(C=C1)[C@@H](O)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(O)=C12
|
|
| MolPort-000-813-426 |
0.65 |
COC1=CC=CC(OC)=C1C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C
|
|
| MolPort-000-752-271 |
0.65 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-000-840-238 |
0.65 |
[Br-].COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-160-222 |
0.65 |
COC1=CC=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2C2=CC(Cl)=CC=C2)=C1OC
|
|
| MolPort-000-707-460 |
0.65 |
[I-].COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-703-801 |
0.65 |
[I-].COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
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|
| MCULE-7205325173 |
0.64 |
C12CN(C)CCC1=CC(O)=C(OC)C=2
|
|
| MCULE-9067831448 |
0.64 |
C12CN(C)CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-9307052644 |
0.64 |
C12C(C)NCCC1=CC(OC)=C(O)C=2
|
|
| MCULE-4790831525 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(C)CC1=CC=CC(=C1)C(F)(F)F
|
|
| MCULE-8210791199 |
0.64 |
C12C(CCNC1C1=CC(=CC=C1OC)OC)=CC(O)=C(O)C=2
|
|
| MCULE-5647998057 |
0.64 |
CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
|
|
| MCULE-2907067323 |
0.64 |
C1(OC)C(OC)=CC2C(C)N(CCCl)CCC=2C=1
|
|
| MCULE-6816023217 |
0.64 |
COC1=C(OC)C=C2C(CCN(C(C)=O)C2C2CC2)=C1
|
|
| MCULE-7641917403 |
0.64 |
COC1=CC(O)=C(C(N2C(C)C3=C(C=C(C=C3)OC)CC2C)=O)C=C1
|
|
| MCULE-1070712624 |
0.64 |
C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5143426847 |
0.64 |
C1(OC)C=C2CCN(C(C3=CC=C(C)C=C3)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-3433894148 |
0.64 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2128752708 |
0.64 |
C(C(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
|
|
| MCULE-5412028311 |
0.64 |
CCC1=C(O)C=C(C)C(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=C1
|
|
| MCULE-3191842261 |
0.64 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)CCCCC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6990371779 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCC(C)C1
|
|
| MCULE-2778111901 |
0.64 |
C12=C(CCNC1C1=CC=C(C=C1)C)C=C(C(OC)=C2)OC
|
|
| MCULE-9314140769 |
0.64 |
C12=C(CCNC1C1=CC=C(C=C1)C(C)(C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-9529539765 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CCCCC)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6386950507 |
0.64 |
C12=C(CCN(C)C1CC(C1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6857423314 |
0.64 |
C12=C(CCN(C)C1CC(=O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-9366444289 |
0.64 |
[H]Cl.C12=C(CCNC1C1=CC=CC=C1OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2311532359 |
0.64 |
C12=C(CCNC1C1=CC=CC(OC)=C1OC)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-8518039368 |
0.64 |
C1(NCCC2C=C(C(OCC)=CC1=2)OCC)C1=C(OC)C=CC2C=CC=CC1=2
|
|
| MCULE-4377778864 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(C)=C1C)OC
|
|
| MCULE-1113698659 |
0.64 |
Cl.Cl.N1(CCCN)CCC2=C(C=C(C(=C2)OC)OC)C1
|
|
| MCULE-9417984971 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(C)=C1)OC
|
|
| MCULE-9300572816 |
0.64 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=C(Cl)C=CC=1OC
|
|
| MCULE-8619049864 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(=C(OC)C=1)OC)C(=O)C1C=CC(=CC=1)F
|
|
| MCULE-3231675884 |
0.64 |
N1(CCC2=C(C=C(C(OCC)=C2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C(F)(F)F
|
|
| MCULE-4516621018 |
0.64 |
C12C(C#N)N(C)CCC1=CC1=C(OCO1)C=2OC
|
|
| MCULE-5348350150 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8364503034 |
0.64 |
C12C(CCN(C)C1CC(=O)CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3070154615 |
0.64 |
C12=C(CCN(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2530138460 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2853173462 |
0.64 |
C12=C(CCN(C)C1CC(C(C)C)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-6308673609 |
0.64 |
C1(C2CCCN2)=CC(OC)=C(C=C1OC)OC
|
|
| MCULE-3367977737 |
0.64 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC2=CC=CC=C2)=C1
|
|
| MCULE-8781608015 |
0.64 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-2069582582 |
0.64 |
C12(CNC(C3=CC=C(OC)C=C13)C)CC2
|
|
| MCULE-8801635071 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)C(=O)C1C=CC(=CC=1OC)OC
|
|
| MCULE-2640255601 |
0.64 |
C1(CC2=C3C(C=CC=C3)=CC=C2)C2=C(C=C(O)C(O)=C2)CCN1.[H]Br
|
|
| MCULE-2597737453 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1
|
|
| MCULE-3589143798 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(O)=C1)OC
|
|
| MCULE-7166469178 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)OC
|
|
| MCULE-4600795033 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(O)=C1
|
|
| MCULE-5772780353 |
0.64 |
C1=C(OC)C(OC)=CC(CNCCC2=CC=C(C(OC)=C2)OC)=C1OC
|
|
| MCULE-9894256628 |
0.64 |
COC1=CC(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=CC=C1
|
|
| MCULE-7697414171 |
0.64 |
C1(OC)=C(OC)C=C(C=C1OC)CN1CCC2=C(C=CC=C2)C1
|
|
| MCULE-7315278721 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C=C1)O
|
|
| MCULE-3608922163 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1C
|
|
| MCULE-7376415798 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(OC)=C1)OC
|
|
| MCULE-7401691939 |
0.64 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-9954073702 |
0.64 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-8191047749 |
0.64 |
C12CN(C)CCC1=CC(OC)=C1OCOC1=2.Cl
|
|
| MCULE-8464478739 |
0.64 |
C1(OC)C=CC(C(C#N)(C(C)C)CCCN2CC3C=C(OC)C(OC)=CC=3CC2)=CC=1OC
|
|
| MCULE-3501639658 |
0.64 |
C12CNCCC1=CC1OCOC=1C=2OC
|
|
| MCULE-4093641788 |
0.64 |
[Cl-].C12C3(CCCCC3)C[NH2+]CC1=CC(=C(OC)C=2)OC
|
|
| MCULE-9667743097 |
0.64 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-6498289847 |
0.64 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
|
|
| MCULE-7105035945 |
0.64 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
|
|
| MCULE-7105415085 |
0.64 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
|
|
| MCULE-1446120151 |
0.64 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-6636142919 |
0.64 |
C12=CC(OC)=C(C=C1CCN(CCC#N)[C@H]2C)OC
|
|
| MCULE-4480827846 |
0.64 |
Cl[H].C12C(CCNC1C1=CC=CC(OC3C=CC=CC=3)=C1)=CC(O)=C(O)C=2
|
|
| MCULE-5893730717 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC=C1O
|
|
| MCULE-8700846804 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC(OC)=C(C(OC)=C1)O
|
|
| MCULE-3965379119 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C=C(OC)C(=C(OC)C=1)OC
|
|
| MCULE-1239535119 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(OC)=C1O
|
|
| MCULE-4380921014 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC(Cl)=CC=C1O
|
|
| MCULE-8784907284 |
0.64 |
CC(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C
|
|
| MCULE-1575442067 |
0.64 |
CC(=O)NC(C1N(CC2=CC=CC=C2C)CCC2C1=CC(OC)=C(OC)C=2)C
|
|
| MCULE-2213902450 |
0.64 |
C1(OC)C=C2CCN(C(C3C=CC=C(OC)C=3)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-3256170513 |
0.64 |
C12=C(CCNC1C1CCCCC1)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-9518410746 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)C(C)C
|
|
| MCULE-9120856629 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)CC
|
|
| MCULE-4875924600 |
0.64 |
C12C(CCN(C)C1CC1C=CC(=CC=1)NC(=O)C1C=CC(=CC=1)OC(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5644718113 |
0.64 |
N1(CCCN)CCC2=C(C=C(C(=C2)OC)OC)C1
|
|
| MCULE-7795039059 |
0.64 |
N1(CCC2=C(C=CC=C2)C1)C(C)CC1=CC=C(C=C1OC)OC
|
|
| MCULE-9146104030 |
0.64 |
C12C(CC#N)NCCC1=CC(=C(OCC)C=2)OCC
|
|
| MCULE-5240625992 |
0.64 |
C12=C(CCNC1C1=CC=CC=C1OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2232276996 |
0.64 |
[Cl-].[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-8697589965 |
0.64 |
[Cl-].[Cl-].[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-6225418084 |
0.64 |
C12=C(CCNC1C1=CC=CC(OC)=C1OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2984419568 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8224463524 |
0.64 |
C12=C(CCN(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9068899112 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7407254409 |
0.64 |
[Cl-].C1(O)=C(C=C2C(CC[N+]([H])([H])C2C)=C1)OC
|
|
| MCULE-4645893869 |
0.64 |
Cl.C12CNCCC1=CC=C(OC)C=2O
|
|
| MCULE-6849081786 |
0.64 |
C12C(C)(C)CNCC1=CC(=C(OC)C=2)OC.Cl
|
|
| MCULE-3763225569 |
0.64 |
C1(C(=CC2C(CC3C=C(OC)C(OC)=CC=3)N(C(=S)NCC=C)CCC=2C=1)OC)OC
|
|
| MCULE-6269286246 |
0.64 |
C1(C(=CC2=C(C=1)CCN(C(=S)NCC(C)=C)C2CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
| MCULE-1872782088 |
0.64 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1305980300 |
0.64 |
C12=C(CCNC1C1=CC(OC)=C(C(OC)=C1)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1105978207 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4526362658 |
0.64 |
C12=C(CCNC1C1=CC=CC(OC3C=CC=CC=3)=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-4479831979 |
0.64 |
C12C(CCNC1C1C=C(OC)C(=C(OC)C=1)O)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-2567233272 |
0.64 |
C12C3(CCCC3)CNCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-5203284974 |
0.64 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1C
|
|
| MCULE-7230562799 |
0.64 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(=C(OC)C=1)OC)C(C1=CC=CC=C1)C(=O)NC(C)C
|
|
| MCULE-8892885922 |
0.64 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC=C(C=C1)OC
|
|
| MCULE-9976816621 |
0.64 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1CC1
|
|
| MCULE-4299629309 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCC(CC1)C(C)(C)C
|
|
| MCULE-2873530773 |
0.64 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(O)C=C(C)C(C(C)C)=C2)=C1
|
|
| MCULE-1584248642 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1C2CC3CC1CC(C3)C2
|
|
| MCULE-7556967985 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCCC(C)C1
|
|
| MCULE-8969491177 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCCCC1
|
|
| MCULE-8955517066 |
0.64 |
N1(CCC2=CC(OC)=C(OC)C=C2C1)C1CCC(C)CC1
|
|
| MCULE-7759743136 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCC(CC1)CC
|
|
| MCULE-6753518849 |
0.64 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC2=C(O)C=C3C(OCO3)=C2)=C1
|
|
| MCULE-4056867509 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C4C(=CC=CC=14)CC3)C=C1C(OCO1)=C2OC
|
|
| MCULE-1268343787 |
0.64 |
C12=C(CCN(C)C1CC(=O)C1C=CC3=C4C(=CC=CC=14)CC3)C=C1C(OCO1)=C2OC
|
|
| MolPort-000-700-658 |
0.64 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2CC2)C=C1OCC
|
|
| MolPort-000-717-036 |
0.64 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC=C(OC)C=C2)C=C1OCC
|
|
| MolPort-000-737-118 |
0.64 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=C(C)C=CC=C2)C=C1OCC
|
|
| MolPort-035-765-911 |
0.64 |
COC1=C(OC)C=C(C[C@@H]2N(CCC3=CC(OC)=C(OC)C=C23)[C@@H](C(=O)NC(C)C)C2=CC=CC=C2)C=C1
|
|
| MolPort-003-181-252 |
0.64 |
COC1=C(OC)C=C2CN(CC3CCCCC3)CCC2=C1
|
|
| MolPort-002-148-646 |
0.64 |
CCC1CCC(CC1)N1CCC2=CC(OC)=C(OC)C=C2C1
|
|
| MolPort-016-585-665 |
0.64 |
COC1=C(OC)C=C2CN(CCC2=C1)C1C2CC3CC(C2)CC1C3
|
|
| MolPort-002-150-680 |
0.64 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCC(C)CC1
|
|
| MolPort-003-181-381 |
0.64 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCCC(C)C1
|
|
| MolPort-002-150-421 |
0.64 |
COC1=C(OC)C=C2CN(CCC2=C1)C1CCC(CC1)C(C)(C)C
|
|
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COC1=CC2=C(CN(CC3=CC(C(C)C)=C(C)C=C3O)CC2)C=C1OC
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COC1=C(OC)C=C2CN(CC3=C4C=CC5=CC=CC6=C5C4=C(C=C3)C=C6)CCC2=C1
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COC1=C(OC)C=C2CN(CC3=CC=CC4=CC=CC=C34)CCC2=C1
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COC1=C(OC)C=C2CNCCC2=C1
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COC1=CC(C2NCCC3=CC(O)=C(O)C=C23)=C(OC)C=C1
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COC1=C(OC)C=C2CN(CCC2=C1)C(C)CC1=CC=CC(=C1)C(F)(F)F
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COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2C(NCCC2=C1)C1=CC=C(C=C1)C(C)(C)C
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COC1=C2C(CC(=O)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
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COC1=CC=C(C(=O)N2C(C)CC3=CC(OC)=CC=C3C2C)C(O)=C1
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CCCCCC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C(C)C)C=C1
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COC1=C(OC)C=C2C(C(C)C)N(CCC2=C1)C(=O)C1=CC=C(C)C=C1
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[I-].COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(C)=O
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COC1=C(OC)C=C2CN(CCC2=C1)C1CCC(C)C1
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COC1=C(OC)C=C2C(NCCC2=C1)C1=CC=C(C)C=C1
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COC1=CC2=C(C=C1OC)C(C)N(CCCl)CC2
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CCC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C(C)C=C1O
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Cl.Cl.COC1=C(OC)C=C2CN(CCCN)CCC2=C1
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COC1=C(C)C(C)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
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CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(OC)C=CC2=CC=CC=C12
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[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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COC1=C2C(CC(=O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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CCOC1=CC=C(CC2N(CCC3=C2C=C(OCC)C(OCC)=C3)C(=O)C(F)(F)F)C=C1OCC
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COC1=C2C(C#N)N(C)CCC2=CC2=C1OCO2
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CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=C(OC)C=CC(Cl)=C2)C=C1OCC
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COC1=CC=C(CC2N(CCC3=CC(OC)=C(OC)C=C23)C(=O)C2=CC=C(F)C=C2)C=C1OC
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[Br-].COC1=C2C(CC(=O)C3=CC=C4CCC5=C4C3=CC=C5)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3(CCNCC3)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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COC1=CC2=C(C=C1OC)C(C#N)N(C)CC2
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| MCULE-1792024767 |
0.63 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)CC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-7512263848 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CC(C)C)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1263988904 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5523440142 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1524174379 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-8582567105 |
0.63 |
C12C(CC[N+](C)(C)C1CC(=O)C1C=CC(CC)=CC=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4296276407 |
0.63 |
COC1C=CC(C(NCC2C=CNN=2)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-7382446246 |
0.63 |
C12C=C(OC)C(=CC=1CN(CC=C)CC12CCCC1)OC
|
|
| MCULE-4113511296 |
0.63 |
C12=C(CCNC1C1=CC(Cl)=CC=C1O)C=C(C(OC)=C2)OC
|
|
| MCULE-7028943309 |
0.63 |
C(=O)(C1=C(C=CC=C1OC)OC)N1CCC2C(=CC(=C(OC)C=2)OC)C1
|
|
| MCULE-6031006402 |
0.63 |
Cl.C12C(CCNC1C1=CC=C(C(OC)=C1)OC)=CC(=C(O)C=2)O
|
|
| MCULE-9001048734 |
0.63 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1C=CC(=CC=1)OC)C=C(C(OC)=C2)OC
|
|
| MCULE-8793913251 |
0.63 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OC
|
|
| MCULE-4412830475 |
0.63 |
C12=C(CC[N+]([H])([H])C1C1=CC=CC(OC)=C1)C=C(C(OC)=C2)OC.[Cl-]
|
|
| MCULE-9991531234 |
0.63 |
[I-].[N+]1(C)(CCO)CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C
|
|
| MCULE-6354591562 |
0.63 |
[H]Cl.C1(=C(OC)C=C2C(CCNC2C2=CC=C(O)C(OC)=C2)=C1)OC
|
|
| MCULE-6496006790 |
0.63 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1=CC=CC=C1)C=C(C(OC)=C2)OC
|
|
| MCULE-2311042291 |
0.63 |
C12=C(CCNC1C1=CC=CC(OC)=C1O)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-9050141559 |
0.63 |
C12CNCCC1=CC(OC)=C1OCOC1=2
|
|
| MCULE-8791121152 |
0.63 |
[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC2C=CC=CC1=2.[Cl-]
|
|
| MCULE-3700453809 |
0.63 |
COC1=C(OC)C(OC)=C(CNCC2(C3=CC=CC=C3)CC2)C=C1
|
|
| MCULE-7649562027 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)C
|
|
| MCULE-5822627411 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C(CC(C)C)C2
|
|
| MCULE-6472043806 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@@H]1CC(=O)[C@@H](CC(C)C)C2
|
|
| MCULE-2700319425 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@H]1CC(=O)[C@H](CC(C)C)C2
|
|
| MCULE-6743435165 |
0.63 |
C12=CC(OC)=C(OC)C=C1CCN1[C@]2([H])CC(=O)[C@H](CC(C)C)C1
|
|
| MCULE-8705177202 |
0.63 |
[I-].CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
|
|
| MCULE-5458437044 |
0.63 |
C12=CC(OC)=C(OC)C=C1CCN1[C@@]2([H])CC(=O)[C@@H](CC(C)C)C1
|
|
| MCULE-1415546267 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CCCCC)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3862251077 |
0.63 |
C12=C(CCN(C)C1CC(C(C/C=C(\C)/C)C/C=C(/C)\C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2878469616 |
0.63 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC#N)=C1
|
|
| MCULE-2265833173 |
0.63 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CCCO)=C1
|
|
| MCULE-9020786186 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1OCC=C
|
|
| MCULE-2451352819 |
0.63 |
Cl.C12C(CCNC1C1=CC(=CC=C1OC)OC)=CC(O)=C(O)C=2
|
|
| MCULE-6459753628 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2180376818 |
0.63 |
[Cl-].C12C(C)[NH2+]CCC=1C=C(OC)C(O)=C2
|
|
| MCULE-1322728815 |
0.63 |
C1(OC)C(OC)=CC2CN(C(=O)C3C=C(OC)C(OC)=C(OC)C=3)C(C)(C)CC=2C=1
|
|
| MCULE-1159438170 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC(OC)=CC=C1O
|
|
| MCULE-5455894395 |
0.63 |
[NH+]1(C)CCC2=C(C=C(C(OC)=C2)O)C1.[I-]
|
|
| MCULE-2520535076 |
0.63 |
Cl.C1(OC)C=C2CNCCC2=CC=1OC
|
|
| MCULE-1999345931 |
0.63 |
C12C(CCN(C)C1CC(=O)C1=CC=C(C=C1)O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3935956997 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8054966547 |
0.63 |
[Cl-].[NH+]1(C)CCC2=C(C=C(C(O)=C2)OC)C1
|
|
| MCULE-4361313761 |
0.63 |
CCC(N1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-4130170190 |
0.63 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(C=CC(OC)=C3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3623977626 |
0.63 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3854036223 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(OC)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3131863250 |
0.63 |
C12=C(O)C(OC)=CC=C1C1CN(C2)CC2=C1C=CC(OC)=C2O
|
|
| MCULE-7811547021 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@]1([H])CN1CCC3C=C(OC)C(OC)=CC=3[C@@]1([H])C2
|
|
| MCULE-5340829210 |
0.63 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1([H])CN1CCC3C=C(OC)C(OC)=CC=3C1([H])C2
|
|
| MCULE-6136251062 |
0.63 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=CC=C1Cl)OC
|
|
| MCULE-6659130003 |
0.63 |
C12=C(CCNC1C1=CC=CC=C1OCC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5357899089 |
0.63 |
C12C(CCNC1C1=CC(OC)=CC=C1OC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-9231802478 |
0.63 |
C12C(C3C=CC(OC)=C(OC)C=3)CNCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-4319788352 |
0.63 |
COC1C=C2C(CN(CC2)CC(N)C)=CC=1OC
|
|
| MCULE-6246640416 |
0.63 |
C1(CN2CCC3=C(C=C(C(OC)=C3)OC)C2)C(C)=CC(=CC=1C)C(C)(C)C
|
|
| MCULE-8527457352 |
0.63 |
COC1=C(OC)C=C2C(CCN(C2)CC#N)=C1
|
|
| MCULE-4174095116 |
0.63 |
C12C(C3C=CC(O)=C(O)C=3)CNCC1=CC(OC)=C(OC)C=2
|
|
| MCULE-8694268646 |
0.63 |
COC1=C(OC)C=C2C(CCN(C2)CCCO)=C1
|
|
| MCULE-1305250597 |
0.63 |
C1(NCCC2=CC=CC=C12)C1=CC=C(C(OC)=C1)OC
|
|
| MCULE-7091823284 |
0.63 |
COC1C=C2C(CN(CC2)CC(N)(C)C)=CC=1OC
|
|
| MCULE-3566023383 |
0.63 |
C1(O)C(OC)=C(OC)C=CC=1[C@@H]1CCCN1
|
|
| MCULE-5979306083 |
0.63 |
C1(O)C(OC)=C(OC)C=CC=1[C@H]1CCCN1
|
|
| MCULE-7910553760 |
0.63 |
C12C[N+](C)(CCC1=C1C(C3C(C=C1)=CC(=C(OC)C=3)OC)=C(OC)C=2OC)CC(=O)C1=CC=C(OC)C=C1
|
|
| MCULE-1098157225 |
0.63 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C1C=CC(CC)=CC=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3406354733 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CC(C)C)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8603420733 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C)C=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3067826267 |
0.63 |
C1(OC)C=C2CCN(C(CC(C)CC(C)(C)C)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-8089711531 |
0.63 |
COC1=CC2=C(CC(C3=CC=CC=C3)NC2)C=C1
|
|
| MCULE-4340951604 |
0.63 |
Cl.C12CC(CO)NCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-1993925586 |
0.63 |
Cl.C12C=C(OC)C(=CC=1CN(CC=C)CC12CCCC1)OC
|
|
| MCULE-6664612609 |
0.63 |
C(=O)(N1CCC2C(=CC(=C(OC)C=2)OC)C1)C1C=CC(=CC=1OC)OC
|
|
| MCULE-1493030646 |
0.63 |
N1(C(OCC)=O)CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(O)=CC=1
|
|
| MCULE-1456601874 |
0.63 |
C12C(CC)NCCC1=CC(O)=C(O)C=2
|
|
| MCULE-6351327940 |
0.63 |
C1(OC)C(OC)=CC=C(CNCCC2C=CC(=CC=2)OC)C=1OC
|
|
| MCULE-3801669920 |
0.63 |
COC1C=CC=CC=1CNC(CC1C=CC(OC)=C(OC)C=1)C
|
|
| MCULE-7236428039 |
0.63 |
C1(OC)=CC(OC)=CC=C1CNCCC1=CC=C(C(OC)=C1)OC
|
|
| MCULE-1725890626 |
0.63 |
C1(O)=C(C=C(C=C1C(C)(C)C)CN1CCC2=C(C=C(C(OC)=C2)OC)C1)C(C)(C)C
|
|
| MCULE-3154673321 |
0.63 |
C(F)(F)(F)C1=CC=CC=C1CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-2340563008 |
0.63 |
C12=CC(OC)=C(C=C1CCN(CC#C)[C@H]2C)OC
|
|
| MCULE-4377927175 |
0.63 |
C12C=C(OC)C(=CC=1CCN(CCN1CCC3=C(C=C(C(OC)=C3)OC)C1C)C2C)OC
|
|
| MCULE-8095459379 |
0.63 |
C12=C(CCNC1C1=CC(OC)=CC=C1O)C=C(C(OCC)=C2)OCC
|
|
| MCULE-3951925282 |
0.63 |
C1(OC)C(OC)=CC2CN(C(CC3C=CC=CC=3)=O)C(C)(C)CC=2C=1
|
|
| MCULE-7950390491 |
0.63 |
Cl.C12CNCCC1=CC(OC)=C1OCOC1=2
|
|
| MCULE-6855140556 |
0.63 |
COC1=CC(OC)=C(C2N(CC(N3CC4=C(C=C(C(=C4)OC)OC)CC3)=O)CCC2)C=C1
|
|
| MCULE-1520472800 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4428957472 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3515784495 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6057697028 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5876741895 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6777406519 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(OC)C=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-1844335967 |
0.63 |
C12=C(CCN(C)C1CC(=O)/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9483003673 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(C)=C1
|
|
| MCULE-3700974047 |
0.63 |
Cl.COC1=C(OC)C(OC)=C(CNCC2(C3=CC=CC=C3)CC2)C=C1
|
|
| MCULE-8608933940 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C=C1C)C
|
|
| MCULE-2492989963 |
0.63 |
C1(=CC(Br)=CC=C1OC)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-8629115386 |
0.63 |
C12=CC(OCC)=C(OCC3=CC=CC=C3)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-4060727120 |
0.63 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC(N)=O)=C1
|
|
| MCULE-3698018759 |
0.63 |
[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-1309803484 |
0.63 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)C)CCC2C1=CC(OC)=C(OC)C=2)C)C
|
|
| MCULE-4818309974 |
0.63 |
C1(OC)C=C2CCN(C(CC(C)C)C2=CC=1OCC1C=CC=CC=1)C
|
|
| MCULE-1601984791 |
0.63 |
COC1=C(OC)C=C2C(CCN(C(CC(C)C)=O)C2C2CC2)=C1
|
|
| MCULE-8516700973 |
0.63 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC(=CC=1)Cl
|
|
| MCULE-7758315465 |
0.63 |
C1(C=C2C(=CC=1OC)C(CC1=CC(OC)=C(OC)C=C1)N(C(C1C=CC(Cl)=C(Cl)C=1)=O)CC2)OC
|
|
| MCULE-5253942470 |
0.63 |
C1(O)C(OC)=CC(=CC=1OC)CN1CCC2=C(C=CC=C2)C1
|
|
| MCULE-1284591629 |
0.63 |
[N+]1(C)(CC2C=CC=CC=2)CCC2C(=CC(=C(OC)C=2)O)C1
|
|
| MCULE-1095233535 |
0.63 |
COC1=C(OC)C(CN2CC3=C(C=CC=C3)CC2)=CC=C1
|
|
| MCULE-8217014848 |
0.63 |
C12CCCNC(C)C1=CC=C(OC)C=2OC
|
|
| MCULE-8975925715 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC(C)=CC
|
|
| MCULE-3372139051 |
0.63 |
[H]Cl.C12=C(CCNC1C1=CC=CC=C1OCC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-9953223652 |
0.63 |
C(C(=O)O)(=O)O.C1(C)(C(C)(C)O)NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-7551574525 |
0.63 |
COC1=C(OC)C=C(C[C@H]2[N@+](CCC(OCCCCCOC(CC[N@@+]3([C@H](CC4=CC(OC)=C(OC)C=C4)C4=C(C=C(C(=C4)OC)OC)CC3)C)=O)=O)(C)CCC3=C2C=C(C(=C3)OC)OC)C=C1
|
|
| MCULE-5722892726 |
0.63 |
O(C)C1=C(C=C2CC[N@@+](C)(CCC(=O)OCCCCCOC(CC[N@+]3(C)CCC4=CC(=C(C=C4[C@H]3CC3=CC=C(C(=C3)OC)OC)OC)OC)=O)[C@H](CC3=CC=C(C(=C3)OC)OC)C2=C1)OC
|
|
| MCULE-2866746125 |
0.63 |
COC1C=CC(CC2[N+](CCC(OCCCCCOC(CC[N+]3(C(CC4C=CC(OC)=C(OC)C=4)C4C(=CC(=C(C=4)OC)OC)CC3)C)=O)=O)(C)CCC3C2=CC(=C(C=3)OC)OC)=CC=1OC
|
|
| MCULE-1325164895 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)C1CCC2=C(C=CC=C2)C1
|
|
| MCULE-2740137066 |
0.63 |
O=C(CC[N@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=CC=1)OC)OC)C)OCCCCCOC(=O)CC[N@+]1(CCC2C=C(C(=CC=2[C@H]1CC1C=C(OC)C(OC)=CC=1)OC)OC)C
|
|
| MolPort-046-598-165 |
0.63 |
COC1=CC=C(C=C1)C(=O)C[N+]1(C)CCC2=C(C1)C(OC)=C(OC)C1=C2C=CC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-000-709-668 |
0.63 |
[I-].COC1=C2C(CC(=O)C3=CC=C(C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-736-414 |
0.63 |
[I-].CCC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-718-685 |
0.63 |
[I-].COC1=C2C(CC(=O)C3=CC=C(CC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC=C2CC(NCC2=C1)C1=CC=CC=C1
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COC1=CC=C2CNCCC2=C1OC
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COC1=CC(OC)=C(C=C1)C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1
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COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2C(C)N(CCN3CCC4=CC(OC)=C(OC)C=C4C3C)CCC2=C1
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[I-].COC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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COC1=C2C(CC(=O)C3=C(O)C=CC=C3)N(C)CCC2=CC2=C1OCO2
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[I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC=C(C2CCCN2CC(=O)N2CCC3=CC(OC)=C(OC)C=C3C2)C(OC)=C1
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COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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[I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
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COC1=CC=CC(=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC2=C(C=C1OC)C(C1CC1)N(CC(N)=O)CC2
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COC1=C(OC)C=C2CN(CC3=CC(C)=CC=C3)CCC2=C1
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COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)CC(C)C
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CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC=C(Cl)C=C2)C=C1OCC
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COC1=C(OC)C=C2CN(CC3=C(C)C=C(C)C=C3)CCC2=C1
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COC1=CC(CN2CCC3=CC=CC=C3C2)=CC(OC)=C1O
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COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
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COC1=C(OC)C=C2CN(C\C(C)=C\C)CCC2=C1
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COC1=C(OC)C=C2CN(CC3CCC=CC3)CCC2=C1
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COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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[I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC(OC)=C(CC(=O)N2CCC3=CC(OC)=C(OC)C=C3C2C)C=C1
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COC1=CC=C(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N\O)C=C1
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COC1=CC(=CC(OC)=C1OC)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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COC1=CC=CC(OC)=C1C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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[I-].COC1=CC=CC(=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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COC1=CC=CC(OC)=C1C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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COC1=C2C(CC(=O)C3=CC4=C(OCO4)C=C3)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
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COC1=CC(O)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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[I-].COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3=CC4=C(OCO4)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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CCC1=CC(OC)=C(OC)C=C1C(CC1=CC=CC=C1)NC(=O)C1=CC=C(OC)C=C1
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CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
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COC1=C(OC)C2=C(CC(=O)C3=CC4=C(OCO4)C=C3CCN(C)C2)C=C1
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COC1=CC=C2CN(CC3CC3)CC3(CC3)C2=C1
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COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C2=CC=CC=C2)C=C1
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COC1=CC(SC)=CC=C1C(=O)N1CCC2=CC(OC)=C(OC)C=C2C1CC1=CC(OC)=C(OC)C=C1
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CCC1C[N+]2([O-])CCC3=CC(OC)=C(OC)C=C3C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
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CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C[NH2+]C(C)(C)C)C=C1OCC
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CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C[NH+](C)C(C)C)C=C1OCC
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CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C[NH2+]C(C)C)C=C1OCC
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COC1=C2C(CC(=O)C3=C(C)C=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
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|
|
| MolPort-002-708-356 |
0.62 |
COC1=C(OC)C=C2C(NCCC2=C1)C1=C(C)C=C(C)C=C1
|
|
| MolPort-001-611-642 |
0.62 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCC(C)=O)C2
|
|
| MolPort-002-512-284 |
0.62 |
COC1=CC2=C(C=C1OC)[C@H](C)N(CCC(N)=O)CC2
|
|
| MolPort-002-054-049 |
0.62 |
COC1=C(OC)C=C2C(CC(O)=O)NCCC2=C1
|
|
| MolPort-039-002-866 |
0.62 |
COC1=CC=C2C(CCC2=C1OC)NCCN1CCC2=CC=CC=C2C1
|
|
| MolPort-009-757-539 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)[C@@]1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-002-513-196 |
0.62 |
COC1=CC=C(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)C=C1OC
|
|
| MolPort-002-513-163 |
0.62 |
COC1=CC=CC(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)=C1
|
|
| MolPort-002-513-338 |
0.62 |
COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-754-326 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-2463028759 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2)CCN)=C1
|
|
| MCULE-8030799675 |
0.62 |
COC1=CC2=C(CN(CC32CC3)CC2CC2)C=C1
|
|
| MCULE-3614579542 |
0.62 |
C1(C)C2C=C(OCC)C(OCC)=CC=2CCN1
|
|
| MCULE-8572590539 |
0.62 |
C12C(NCCC1=CC(=C(O)C=2)O)C1=CC=C(C(OC)=C1)O
|
|
| MCULE-7475788963 |
0.62 |
COC1=CC(OC)=C(CNCC(C2=CC(OC)=C(OC)C=C2)N(C)C)C=C1
|
|
| MCULE-2472926646 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3633827785 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1789306269 |
0.62 |
C1(=C(C=C2C(N(C(C3C=CC(SC)=CC=3OC)=O)CCC2=C1)CC1C=C(C(=CC=1)OC)OC)OC)OC
|
|
| MCULE-6266274020 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CNC(C)C
|
|
| MCULE-1748563412 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CN(C)C(C)C
|
|
| MCULE-1215482992 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CNC(C)(C)C
|
|
| MCULE-6360232919 |
0.62 |
C1(C(=CC2C(N(C(=O)C3C=C(C(F)(F)F)C=CC=3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
| MCULE-5259275759 |
0.62 |
O(CC1C=CC=CC=1)C1C(OC)=CC2CCN(C)C(CC3C=CC(OC)=C(C=3)Br)C=2C=1
|
|
| MCULE-9615733458 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CN(CC)CC
|
|
| MCULE-8716977248 |
0.62 |
COC1C=CC2C(NCCN3CC4C=CC=CC=4CC3)CCC=2C=1OC
|
|
| MCULE-6302151901 |
0.62 |
C12=CC(OC)=C(C=C1CN(CCC(C)=O)CC12CCCC1)OC
|
|
| MCULE-4052049756 |
0.62 |
C12C(CCNC1CC(O)=O)=CC(=C(OC)C=2)OC
|
|
| MCULE-1024664609 |
0.62 |
C12=C(CCN(C)C1CC1=CC=CC=[N+]1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2709682959 |
0.62 |
COC1C=C2C(CN(CC2)CCC2CNCCC2)=CC=1OC
|
|
| MCULE-8850884333 |
0.62 |
COC1C=C2C(CN(CC2)CC2CC(C)NCC2)=CC=1OC
|
|
| MCULE-6705084432 |
0.62 |
C12=C(CCNC1C1=CC=C(C=C1C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-9871202346 |
0.62 |
C12C=C(OC)C(=CC=1CCN(CCC(N)=O)[C@H]2C)OC
|
|
| MCULE-5802772415 |
0.62 |
C12=CC(OC)=C(C=C1CCN(CCC(N)=O)C2C)OC
|
|
| MCULE-6510116068 |
0.62 |
[N+]1(C)(CC2C=CC=CC=2)CCC2C(=CC(=C(OC)C=2)O)C1.[Cl-]
|
|
| MCULE-2925081156 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(Cl)C=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-9147321527 |
0.62 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-8516767948 |
0.62 |
C1([C@H]2CCCN2)=CC(OC)=C(C=C1O)OC
|
|
| MCULE-9151786957 |
0.62 |
COC1C=CC2CC(C3C=CC=CC=3)N(CC=2C=1)CCN
|
|
| MCULE-9096581229 |
0.62 |
C12CN(CCC3=CC=C(C=C3)N)CCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-3371372914 |
0.62 |
C1([C@@H]2CCCN2)=CC(OC)=C(C=C1O)OC
|
|
| MCULE-6748850855 |
0.62 |
N1(CCC#N)CCC2=C(C=C(C(=C2)OC)OC)C1.Cl
|
|
| MCULE-2523279620 |
0.62 |
C1(O)C=C2CNCCC2=CC=1OC
|
|
| MCULE-4239998029 |
0.62 |
C1(OC)=C(OC)C=CC(CNCCC2C=CC=CC=2)=C1OC
|
|
| MCULE-8464777412 |
0.62 |
C1(O)C=C2CCNCC2=CC=1OC
|
|
| MCULE-6005726565 |
0.62 |
COC1C=CC(CNC(CC2C=CC(OC)=C(OC)C=2)C)=CC=1OC
|
|
| MCULE-4359462713 |
0.62 |
C1(=CC(Cl)=CC(Cl)=C1O)C1NCCC2C=C(C(OC)=CC1=2)OC
|
|
| MCULE-4063929606 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4904268622 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3835067646 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-6910387877 |
0.62 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)OCC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-6882336555 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-5303145029 |
0.62 |
C12C(CCN(C)C1CC(=O)C1=CC(O)=CC=C1O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5448382624 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8207424392 |
0.62 |
C1C2=C(C(=C3OCOC3=C2)OC)C(N(C1)C)CC(=O)C1C(OC)=CC(OC)=CC=1
|
|
| MCULE-5951452418 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7655435466 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-9697063518 |
0.62 |
C12CN(CCC=1C=C(OC)C(OC)=C2)CCC1CCCCN1
|
|
| MCULE-1901286192 |
0.62 |
C1(=CC(Br)=CC=C1O)CN1CCC2=C(C=C(C(OC)=C2)OC)C1.Cl
|
|
| MCULE-3143486006 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1=C(C=CC=C1Cl)Cl
|
|
| MCULE-9282402126 |
0.62 |
C12C(C)NCC(O)C1=CC=C(OC)C=2O
|
|
| MCULE-5542313374 |
0.62 |
[H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1886055763 |
0.62 |
C1(OC)C=C2CCN3C(C4C=C(OC)C(OC)=CC=4CC3)CC3C(CC)CN(O)C(C3)C2=CC=1OC
|
|
| MCULE-6460713954 |
0.62 |
C1(OC)C=C2CCN(C(C3C=CC=C(Cl)C=3)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-9099290556 |
0.62 |
C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-1254883970 |
0.62 |
COC1=CC(O)=C(C(N2CC3=C(C=C(C(=C3)OC)OC)CC2)=O)C=C1
|
|
| MCULE-1365164897 |
0.62 |
COC1C=CC(C(NCC2C(C)=NNC=2)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-1938191314 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CC2CC1C=C2
|
|
| MCULE-1473168917 |
0.62 |
[Cl-].C12C[NH+](C)CCC3=C(C=C4C(OCO4)=C3)C(=O)CC=1C=CC(OC)=C2OC
|
|
| MCULE-9654278521 |
0.62 |
Cl.C12C=C3OCCOC3=CC=1C1(CNC2C2=CC(OC)=C(C(OC)=C2)OC)CCCC1
|
|
| MCULE-6544525121 |
0.62 |
COC1C(OC)=C(OC)C=C(C(N2CC(C3C=CC=CC=3OC)CC2)C)C=1
|
|
| MCULE-7070557114 |
0.62 |
Cl.C12C(CCNC1C1=CC=CC=C1OC)=CC(O)=C(O)C=2
|
|
| MCULE-8349757986 |
0.62 |
[H]Cl.C12=C(CCNC1C1=CC=C(C=C1)OCC)C=C(C(OC)=C2)OC
|
|
| MCULE-7024947475 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)OCCCC
|
|
| MCULE-2879546752 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(C)C=1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4946927975 |
0.62 |
C12=C(CCN(C)C1CC(=NO)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-7606339998 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-9394742802 |
0.62 |
C1(CC2=CC(OC)=C(C=C2Br)OC)C2C=CC(=CC=2CCN1C=O)OC
|
|
| MCULE-9035802503 |
0.62 |
C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=C(C=C1)OC
|
|
| MCULE-7080005727 |
0.62 |
C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=CC=C1C
|
|
| MCULE-6463418142 |
0.62 |
C12=C(O)C(OC)=CC=C1CC1N(CCC(=O)C1)C2.Cl
|
|
| MCULE-9492655276 |
0.62 |
C1(C(=O)NC(C2N(CC3=CC=CC(OC)=C3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=CC=C1C
|
|
| MCULE-7852014760 |
0.62 |
C1(C2=CC(OC)=CC=C2OC)C2C=C(OC)C(=CC=2CCN1C(C)=O)OC
|
|
| MCULE-8170713355 |
0.62 |
C(C(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C)C(C)C
|
|
| MCULE-4885354222 |
0.62 |
C1C(OC)=C(OC)C=C(CNCCC2C=CC(=CC=2)OC)C=1OC
|
|
| MCULE-2201874959 |
0.62 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC=C(C=C1OC)OC
|
|
| MCULE-4682163022 |
0.62 |
C12=C(CCN(C)C1CC1=CC=CC=[N+]1C)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-2284601813 |
0.62 |
COC1=CC(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=C(O)C(CC=C)=C1
|
|
| MCULE-8045849826 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC=C(C=C1)Br
|
|
| MCULE-2566643609 |
0.62 |
[Cl-].N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C[NH2+]C(C)(C)C
|
|
| MCULE-5322602675 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C[NH+](C)C(C)C.[I-]
|
|
| MCULE-5971524967 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC=C(C=C1)OC(F)F
|
|
| MCULE-1225344999 |
0.62 |
[Cl-].N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C[NH2+]C(C)C
|
|
| MCULE-3793332039 |
0.62 |
Cl.C12C(NCCC1=CC(=C(O)C=2)O)C1=CC=C(C(OC)=C1)O
|
|
| MCULE-9184212193 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2)CCN)=C1.Cl.Cl
|
|
| MCULE-5762383276 |
0.62 |
CCN(CCNCC1N(C)CCC2C1=CC(=C(OC)C=2)O)CC
|
|
| MCULE-3229521178 |
0.62 |
COC1=C(OC)C(OC)=C(CNCCC2=CC(OC)=C(OC(F)F)C=C2)C=C1
|
|
| MCULE-3715994555 |
0.62 |
C(F)(F)(F)OC1=CC=C(C=C1)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-9083035230 |
0.62 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C)=O)CC12CCCC1)OC
|
|
| MCULE-3056775220 |
0.62 |
C12=C(CCNC1C1C=CC=CC=1OC(F)F)C=C(C(OCC)=C2)OCC
|
|
| MCULE-6135387475 |
0.62 |
Cl.C12=C(CCNC1CC(O)=O)C=C(C(OC)=C2)OC
|
|
| MCULE-2502550649 |
0.62 |
C12C(CCN(C)C1CC(C1C=CC(=CC=1)C)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1210210850 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9072160710 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CN1CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C
|
|
| MCULE-4508435763 |
0.62 |
C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-6113831221 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2707108183 |
0.62 |
C1(C(=CC2C(N(C(=O)NC3CCCCC3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
| MCULE-5574529686 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6248551129 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-4590535899 |
0.62 |
N1(CC2C=C(OC)C(=CC=2CC1(C)C)OC)C(C1C=CC=CC=1)=O
|
|
| MCULE-1045999986 |
0.62 |
C12=C(CCNC1C1=CC=CC=C1Cl)C=C(C(OC)=C2)OC
|
|
| MCULE-5366850109 |
0.62 |
C1(C(=CC2C(N(C(=S)NC3CCCCC3)CCC=2C=1)CC1C=C(OC)C(OC)=CC=1)OC)OC
|
|
| MCULE-5069392283 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C1C=CC(=CC=1)OC1=CC=CC=C1
|
|
| MCULE-2144214276 |
0.62 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2553231506 |
0.62 |
[Cl-].[NH+]1(CC#N)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-8476633080 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC=C1OCC
|
|
| MCULE-3460318723 |
0.62 |
N1(CCC#N)CCC2=C(C=C(C(=C2)OC)OC)C1
|
|
| MCULE-5371671745 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC=CC1
|
|
| MCULE-1528752201 |
0.62 |
Cl.C12C(C3C=CC(O)=C(O)C=3)CNCC1=CC(OC)=C(OC)C=2
|
|
| MCULE-3267524972 |
0.62 |
COCCCN1CC2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-3204199451 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC2CCNCC2)=C1
|
|
| MCULE-5343091851 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=CC=C1C(F)(F)F)OC
|
|
| MCULE-5912677204 |
0.62 |
Cl.C12C(C3C=CC(OC)=C(OC)C=3)CNCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-6145939752 |
0.62 |
C12C[N+](C)(CCC1=C1C(C3C(C=C1)=CC(=C(OC)C=3)OC)=C(OC)C=2OC)CC(=O)C1=CC=C(OC)C=C1.[Br-]
|
|
| MCULE-4257770613 |
0.62 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)Cl)=CC1=C(OCO1)C=2OC
|
|
| MCULE-7622013095 |
0.62 |
C12C(CCN(C)C1CC(CC1C=CC(=CC=1)OC)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1944276895 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(Cl)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1345795589 |
0.62 |
N1(C(C)=O)CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(O)=C(C2C=C(CC3C4=CC(OC)=C(C=C4CCN3C(C)=O)OC)C=CC=2O)C=1
|
|
| MCULE-4719306322 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)C(=O)CC1=CC=C(C=C1OC)OC
|
|
| MCULE-4136143882 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC(Br)=CC=C1O)OC
|
|
| MCULE-9351794057 |
0.62 |
C12CN(CCC1=C(CN)C1=C(OCO1)C=2OC)C
|
|
| MCULE-1899094023 |
0.62 |
C1(C2=CC=CC(OC)=C2O)C2C=C(OC)C(=CC=2CCN1C(C)=O)OC
|
|
| MCULE-9232116066 |
0.62 |
C1(=CC(Br)=CC=C1O)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-3021263653 |
0.62 |
COC1C=C2C(C(C3C=CC=CC=3)N(CC2)CCN)=CC=1OC
|
|
| MCULE-5645927128 |
0.62 |
COC1C(OC)=C(OC)C=C(CNC2CC3C=CC=CC=3C2)C=1
|
|
| MCULE-3109474662 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-8004346723 |
0.62 |
C12=C(CCN(C)C1C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-4347864369 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5453763516 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=C(C=CC=C1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2162713624 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3837596665 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7465716499 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6153884916 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4068202259 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2094664166 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8515575426 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1778111412 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2359448863 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3953892889 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7549371076 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2160746059 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5573353684 |
0.62 |
C12CC(C3CCCC3N1CCC1C=C(OC)C(OC)=CC2=1)=O
|
|
| MCULE-3536652377 |
0.62 |
C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5025873294 |
0.62 |
C1(C(CC)=CC(=C(OC)C=1)OC)C(CC1=CC=CC=C1)NC(=O)C1=CC=C(C=C1)OC
|
|
| MCULE-1407646132 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(O)C=C3C(OCCO3)=C2)=C1
|
|
| MCULE-4774587889 |
0.62 |
C12=CC(OC)=C(C=C1CCN1CCNCC12)OC
|
|
| MCULE-2899472663 |
0.62 |
COC1=C(OC)C=C(C(NC(C)=O)CC2=C(C)C=CC=C2)C=C1
|
|
| MCULE-2342323020 |
0.62 |
C1(C=CC(=C(OC)C=1)OC)C1CNCC2=CC=CC=C2C1
|
|
| MCULE-2456578158 |
0.62 |
C1(OC)C(OC)=CC=C(CN(CC)CC2CCN(CC2)CCC2C=CC=CC=2C)C=1OC
|
|
| MCULE-5102056796 |
0.62 |
C12C(CCNC1C1=CC=CC=C1OC)=CC(O)=C(O)C=2
|
|
| MCULE-5039186295 |
0.62 |
[Cl-].[NH+]1(CC#C)CCC2C(=CC(=C(OC)C=2)OC)[C@@H]1C
|
|
| MCULE-6059910702 |
0.62 |
C12C3C=C(OC)C(=CC=3CN(C1)CC1=CC(OC)=C(OC)C=C21)O
|
|
| MCULE-2941367589 |
0.62 |
[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(Cl)C=C1
|
|
| MCULE-9905747891 |
0.62 |
COC1C=C2C(CN(CC2)CCC2CCNCC2)=CC=1OC
|
|
| MCULE-5820865271 |
0.62 |
COC1C=C2C(CN(CC2)CC2CCNCC2)=CC=1OC
|
|
| MCULE-2667642921 |
0.62 |
C12=C(CCNC1C1=CC=C(C=C1)OCC)C=C(C(OC)=C2)OC
|
|
| MCULE-3005077034 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C=C1)Cl
|
|
| MCULE-6391070209 |
0.62 |
Cl.C12C=C(OC)C(=CC=1CCN(CCN1CCC3=C(C=C(C(OC)=C3)OC)C1C)C2C)OC
|
|
| MCULE-1113464746 |
0.62 |
Cl.C12C(CC)NCCC1=CC(O)=C(O)C=2
|
|
| MCULE-9123953406 |
0.62 |
COC1C=CC(CNC(C2C=CC=CC=2)CC2C=CC(OC)=C(OC)C=2)=CC=1O
|
|
| MCULE-6414657551 |
0.62 |
C12CN(C)CCC3=C(C=C4C(OCO4)=C3)C(=O)CC=1C=CC(OC)=C2OC
|
|
| MCULE-7470505067 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(=O)C1C=CC(=C(Cl)C=1)C
|
|
| MCULE-4592934708 |
0.62 |
C12C=C3OCCOC3=CC=1C1(CNC2C2=CC(OC)=C(C(OC)=C2)OC)CCCC1
|
|
| MCULE-7318164196 |
0.62 |
O1COC2C1=CC1CCN(C)CC3C4=C(C=CC=3CC(O)C=1C=2)OCO4
|
|
| MCULE-7208517582 |
0.62 |
C(C(=O)NC(C1N(CC2=CC=CC(C)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
|
|
| MCULE-9415024151 |
0.62 |
CC(=O)NC(C1N(CC)CCC2C1=CC(OC)=C(OC)C=2)C(C)C
|
|
| MCULE-3351768111 |
0.62 |
C12=CC(OC)=C(C=C1CCN(CCCC1C=CC=CC=1)C2C1=CC=CC(F)=C1)OC
|
|
| MCULE-9834052403 |
0.62 |
C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
|
|
| MCULE-3261394749 |
0.62 |
[I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-2247233149 |
0.62 |
C1(C(=O)NC(C2N(CC3=CC=CC(OC)=C3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
|
|
| MCULE-2921076734 |
0.62 |
C12=C(O)C(OC)=CC=C1CC1N(CCC(=O)C1)C2
|
|
| MCULE-3583266738 |
0.62 |
C(C(=O)NC(C1N(CC2=CC=CC(C)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)C
|
|
| MCULE-8481717022 |
0.62 |
C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
|
|
| MolPort-001-639-336 |
0.62 |
COC1=CC2=C(CN(CCC3=CC=C(N)C=C3)CC2)C=C1OC
|
|
| MolPort-003-661-416 |
0.62 |
COC1=C(O)C=C2CCNCC2=C1
|
|
| MolPort-000-937-984 |
0.62 |
COC1=CC=C(CNCCC2=CC=CC=C2)C(OC)=C1OC
|
|
| MolPort-008-383-108 |
0.62 |
COC1=C(OC)C=C2C(NCCC2=C1)C1=C(O)C(Cl)=CC(Cl)=C1
|
|
| MolPort-000-742-129 |
0.62 |
[I-].COC1=CC=CC(OC)=C1C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-737-572 |
0.62 |
[I-].COC1=CC(=CC(OC)=C1OC)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-039-194-377 |
0.62 |
COC1=C2C(CC(=O)C3=C(O)C=CC(O)=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-721-975 |
0.62 |
[I-].COC1=C(C=CC=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-699-281 |
0.62 |
[I-].COC1=CC(O)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-708-119 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=CC4=C(OCO4)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-658-429 |
0.62 |
COC1=C(OC)C=C2C(C)N(CC3=C(Cl)C=CC=C3Cl)CCC2=C1
|
|
| MolPort-002-522-306 |
0.62 |
COC1=CC(OC)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-045-902-550 |
0.62 |
Cl.COC1=C(OC)C=C2CN(CC3=C(O)C=CC(Br)=C3)CCC2=C1
|
|
| MolPort-000-516-089 |
0.62 |
CCOC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-516-082 |
0.62 |
COC1=CC(OC)=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-715-645 |
0.62 |
[I-].COC1=C(OC)C=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-515-508 |
0.62 |
COC1=C2C(C\C(CCC=C(C)C)=N\O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-006-643-741 |
0.62 |
COC1=C(OC)C=C2C(C(C)C)N(CCC2=C1)C(=O)C1=CC(Cl)=CC=C1
|
|
| MolPort-009-757-583 |
0.62 |
Cl.COC1=CC(=CC(OC)=C1OC)C1NCC2(CCCC2)C2=C1C=C1OCCOC1=C2
|
|
| MolPort-000-709-063 |
0.62 |
[Cl-].COC1=C(OC)C2=C(CC(=O)C3=CC4=C(OCO4)C=C3CC[NH+](C)C2)C=C1
|
|
| MolPort-002-115-199 |
0.62 |
COC1=C(OC)C=C2CN(CC3CC4CC3C=C4)CCC2=C1
|
|
| MolPort-009-028-956 |
0.62 |
COC1=CC=C(C(=O)N2CCC3=CC(OC)=C(OC)C=C3C2)C(O)=C1
|
|
| MolPort-009-758-012 |
0.62 |
Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-115-077 |
0.62 |
CCCCOC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
|
|
| MolPort-002-800-515 |
0.62 |
COC1=CC2=C(C=C1)C(CC1=C(Br)C=C(OC)C(OC)=C1)N(CC2)C=O
|
|
| MolPort-035-391-196 |
0.62 |
COC1=CC=CC=C1C1CCN(C1)C(C)C1=CC(OC)=C(OC)C(OC)=C1
|
|
| MolPort-002-519-946 |
0.62 |
COC1=C2C(C\C(=N\O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-006-527-116 |
0.62 |
COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C2=C(C)C=CC=C2)=CC=C1
|
|
| MolPort-002-513-949 |
0.62 |
COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-931-756 |
0.62 |
COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C2=C(C)C=CC=C2)C=C1
|
|
| MolPort-006-527-106 |
0.62 |
COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)CC(C)C)C=C1
|
|
| MolPort-006-527-105 |
0.62 |
COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C2=CC=C(OC)C=C2)C=C1
|
|
| MolPort-016-584-579 |
0.62 |
COC1=CC(C2N(CCC3=C2C=C(OC)C(OC)=C3)C(C)=O)=C(OC)C=C1
|
|
| MolPort-000-700-833 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=C(C)C=C(C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-734-784 |
0.62 |
[Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-112-329 |
0.62 |
COC1=CC(OC)=C(CN2CCC3=CC=CC=C3C2)C=C1
|
|
| MolPort-000-697-197 |
0.62 |
[Cl-].COC1=C2C(CC3=[N+](C)C=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-713-211 |
0.62 |
[Cl-].CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C[NH2+]C(C)(C)C)C=C1OCC
|
|
| MolPort-000-707-757 |
0.62 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC=C(OC(F)F)C=C2)C=C1OCC
|
|
| MolPort-000-744-995 |
0.62 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC=C(Br)C=C2)C=C1OCC
|
|
| MolPort-005-592-775 |
0.62 |
COC1=CC(CC=C)=C(O)C(CN2CCC3=CC(OC)=C(OC)C=C3C2)=C1
|
|
| MolPort-000-726-093 |
0.62 |
[Cl-].CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C[NH2+]C(C)C)C=C1OCC
|
|
| MolPort-000-700-998 |
0.62 |
[I-].CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C[NH+](C)C(C)C)C=C1OCC
|
|
| MolPort-000-937-859 |
0.62 |
COC1=CC=C(CCNCC2=CC(OC)=C(OC)C=C2OC)C=C1
|
|
| MolPort-001-728-128 |
0.62 |
Cl.CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)CNC(C)(C)C)C=C1OCC
|
|
| MolPort-001-728-127 |
0.62 |
Cl.CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)CNC(C)C)C=C1OCC
|
|
| MolPort-001-728-125 |
0.62 |
I.CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)CN(C)C(C)C)C=C1OCC
|
|
| MolPort-002-713-762 |
0.62 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(OC(F)F)C=CC=C1
|
|
| MolPort-005-593-022 |
0.62 |
COC1=CC=C(CNCCC2=CC=C(OC(F)F)C(OC)=C2)C(OC)=C1OC
|
|
| MolPort-002-114-843 |
0.62 |
COC1=C(OC)C=C2CN(CC3=CC=C(OC(F)(F)F)C=C3)CCC2=C1
|
|
| MolPort-009-476-019 |
0.62 |
Cl.Cl.COC1=CC2=C(CN(CCN)CC2)C=C1OC
|
|
| MolPort-003-180-079 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCC(C)=O)C2
|
|
| MolPort-035-911-040 |
0.62 |
Cl.COC1=C(O)C=CC(=C1)C1NCCC2=CC(O)=C(O)C=C12
|
|
| MolPort-008-600-589 |
0.62 |
Cl.COC1=C(OC)C=C2C(CC(O)=O)NCCC2=C1
|
|
| MolPort-002-513-195 |
0.62 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-521-770 |
0.62 |
COC1=C2C(CC(=O)C3(C)CC4=C(CCCC4(C)C)CC3C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-854 |
0.62 |
COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-717-749 |
0.62 |
COC1=C2C(CC(=NO)C3=CC=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
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0.62 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)N(C)CCC2=CC2=C1OCO2
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0.62 |
COC1=C2C(C\C(=N\O)C3=CC=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2[C@H](C)N(CN3CCC4=CC(OC)=C(OC)C=C4[C@@H]3C)CCC2=C1
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COC1=C(OC)C=C2C(C)N(CCC2=C1)C(=O)C1=CC=C(OC2=CC=CC=C2)C=C1
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COC1=C(OC)C=C2CC(C)(C)N(CC2=C1)C(=O)C1=CC=CC=C1
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COC1=C(OC)C=C2C(NCCC2=C1)C1=C(Cl)C=CC=C1
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COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.62 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
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[I-].COC1=CC(OC)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
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[Br-].COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC=CC(CNC2CCC3=CC=CC=C3C2)=C1OC
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COC1=C2C(CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(C\C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2CN(CC3=CC=C(C=C3)C#N)CCC2=C1
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COC1=C(OC)C=C2C(NCCC2=C1)C1=CC=C(Cl)C=C1
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COC1=CC2=C(C=C1OC)C(N(CC#C)CC2)C1=CC=CC=C1
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Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(CCC(C1=CC=CC=C1)C1=C(O)C=CC=C1)C2
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COC1=C(OC)C=C2C(C)N(CC3=CC=C(Cl)C(Cl)=C3)CCC2=C1
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COC1=C(OC)C=C2C(CCN(C)CC3=C(CC2=O)C=CC2=C3OCO2)=C1
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COC1=C(OC)C=C2C(CC(C3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)C2=O)=C1
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CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=C(Cl)C=CC=C2)C=C1OCC
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COC1=C(OC)C=C2C(C(C)NC(=O)CC3=CC=CC=C3)N(CC3=CC=C(C)C=C3)CCC2=C1
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CNC(=O)CN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
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COC1=C(OC)C=C2C(C(C)NC(=O)C3=CC=CC=C3)N(CC3=CC=C(C)C=C3)CCC2=C1
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COC1=CC2=C(C=C1OC)C(O)C(C)(C)N(CCC(C1=CC=CC=C1)C1=CC=CC=C1)C2
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Cl.COC1=C(OC)C=C2CN(CC3=C(Cl)C=CC=C3)CCC2=C1
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COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=CC2=C(C=C1OC)C(N(CC(O)C1=CC=CC=C1)CC2)C1=CC=CC=C1
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COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)N(C)CCC2=CC2=C1OCO2
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COC1=CC=C(CNCCC2=C(OC)C=CC=C2)C(OC)=C1OC
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COC1=C(OC)C=C2C(NCCC2=C1)C1=CC=C(C=C1)C(F)(F)F
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COC(=O)CC1N(CC#N)CCC2=CC(OC)=C(OC)C=C12
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CCOC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1OC
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COC1=CC2=C(CN(CCNCC3=CC=CC=C3)CC2)C=C1OC
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COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2CN(CC3=CC=C(Br)C=C3)CCC2=C1
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COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C=C2C(N(CC3=CC=C(O)C=C3)CCC2=C1)C1=CC(Cl)=CC=C1
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COC1=C(OC)C=C2C(N(CC3=C(C)C=CC=C3)CCC2=C1)C1=CC(Cl)=CC=C1
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COC1=CC=C(CCNCC2=C(OC)C(OC)=CC=C2)C=C1OC
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COC1=C(OC)C=C(CCNCC2=CC=CC(OC3=CC=CC=C3)=C2)C=C1
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COC1=CC=C(CCNCC2=CC(OC)=C(OC)C(OC)=C2)C=C1OC
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COC1=C(OC)C=C2C(N(CC3=CC(O)=CC=C3)CCC2=C1)C1=CC(Cl)=CC=C1
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COC1=C(OC)C=C2C(N(CC3=CC(Cl)=CC=C3)CCC2=C1)C1=CC(Cl)=CC=C1
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COC1=CC2=C(CCNC2C)C=C1
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COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C2=CC(Cl)=CC=C2)C=C1O
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0.61 |
C12C3C=C(OC)C(=CC=3CN(C1)CC1=CC(O)=C(OC)C=C21)O
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C(C(=O)O)(=O)O.C1C(OC)=C(OC)C=C(CNCCC2=CC=C(C(OC)=C2)OC)C=1OC
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C12C3C=C(O)C(=CC=3CN(C1)CC1=CC(OC)=C(O)C=C21)OC
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C12CN(CCC=1C=C(OC)C(OC)=C2)C=O
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N1(CCC2C(=CC(=C(OC)C=2)OC)C1)CC1C=CC(=CC=1)F
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C1(OC)C(OC)=CC=C(CNCCC2=CC=C3C(OCO3)=C2)C=1OC
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[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(Br)=CC=1
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0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1Br
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C12=C(CCNC1C1C=CC(=CC=1)CC)C=C(C(OCC)=C2)OCC
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OC1=C(CN2CC3=C(C=CC=C3)CC2)C=C2C(OCO2)=C1
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C12C(CCNC1C1C=CC(=CC=1)C(C)C)=CC(=C(OCC)C=2)OCC
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0.61 |
C12=C(CCNC1C1C=CC(=CC=1)CC)C=C(C(OC)=C2)OCC
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| MCULE-5299478561 |
0.61 |
C12=C(CCNC1C1C=CC(=CC=1)C)C=C(C(OCC)=C2)OCC
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| MCULE-5561071802 |
0.61 |
[Cl-].[NH+]1(CCC2C(=CC(=C(OC)C=2)OC)[C@@H]1C)CCC(O)=O
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|
| MCULE-6261064613 |
0.61 |
C12C=C(OC)C(=CC=1CCN(CCC(O)=O)C2C)OC.Cl
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|
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0.61 |
C12=C(CCN(C)C1CC(C1=CC=C(C=C1)OC)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-4484324991 |
0.61 |
C12C=C(OC)C(=CC=1CN(C)CC12CCOCC1)OC
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|
| MCULE-3769011866 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C=CC2=C(C=CC=C2)C=1
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|
| MCULE-1385114961 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C2C=CC=CC=2C=C2C=CC=CC=12
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|
| MCULE-2659740834 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C=CC(=C2C=CC=CC=12)OC
|
|
| MCULE-1953871730 |
0.61 |
COC1C=CC2C(N(C(CC=2C=1)C)CCCS(=O)(=O)N)C
|
|
| MCULE-1675363341 |
0.61 |
C1(NCCC2C=C(C(OC)=CC1=2)OC)C1=C(C=CC=C1Cl)Cl
|
|
| MCULE-1454436810 |
0.61 |
COC1C2=C(OCO2)C=C2C=1CN(CC2)CP
|
|
| MCULE-6546755946 |
0.61 |
C12C3(CCCC3)CNC(CO)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1617147191 |
0.61 |
C12=C(CCNC1C1=CC(Cl)=CC=C1O)C=C(C(OC)=C2)OCC
|
|
| MCULE-5611737656 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=CC=C(Cl)C=1)C1CCC(C)C1
|
|
| MCULE-2230326172 |
0.61 |
Cl.N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=CC=C(Cl)C=1)C1CCC(C)C1
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|
| MCULE-5247385051 |
0.61 |
C12=C(CCNC1C1=CC(Cl)=CC=C1O)C=C(C(OCC)=C2)OCC
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|
| MCULE-1177731086 |
0.61 |
C1(OC)C=C2CCN(C(C3C=CC=CC=3OC)=O)C(C3C=CC=CC=3)C2=CC=1OC
|
|
| MCULE-4265982499 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(CC3=CC4=C(CCCC4)C=C3)=O)C2)=C1
|
|
| MCULE-6001791044 |
0.61 |
C1(=C(O)C=C(C2[C@@H](NC(C)CC1=2)C)OC)C1=C(C)C=C(C2=C(C=CC=C12)OC)OC
|
|
| MCULE-4580335017 |
0.61 |
C1(OC)C=C2CCN(C(C3C=CC(Cl)=C(Cl)C=3)=O)C(C(C)C)C2=CC=1OC
|
|
| MCULE-3374159769 |
0.61 |
COC1=C(OC)C=C(CCNCC2=CC(OC3=CC=CC=C3)=CC=C2)C=C1.Cl
|
|
| MCULE-2938833316 |
0.61 |
COC1C=CC(CNC(C(C)(C)C)C2C=CC=CC=2)=C(OC)C=1OC
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|
| MCULE-1416392143 |
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C(NCC1=CC=CC(OC)=C1OC)(CC1=CC=CC=C1)C1C=CC=CC=1
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|
| MCULE-1917061496 |
0.61 |
COC1=C(OC)C(OC)=C(CNC(C2=CC=CC=C2)C(C)C)C=C1
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|
| MCULE-5301620687 |
0.61 |
CCOC1=C(OCC)C=C2C(CCNC2)=C1
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|
| MCULE-2075502464 |
0.61 |
Cl.COC1=CC2=C(CNCC32CC3)C=C1
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|
| MCULE-4424541265 |
0.61 |
C12C(CCN(C)C1CC(C(C/C=C(/C)\C)C/C=C(\C)/C)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8191828297 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)C#N
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|
| MCULE-7506173395 |
0.61 |
C12CNCCCC1=CC=C(OC)C=2OC
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|
| MCULE-4901337019 |
0.61 |
C1(OC)=C(C=CC=C1CNC1CCC2=C(C=CC=C2)C1)OC
|
|
| MCULE-3357876288 |
0.61 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-8022169604 |
0.61 |
N1(C(OCC)=O)CCC2C(=CC(=C(OC)C=2)O)C1CC1C=CC(O)=CC=1
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|
| MCULE-9195428931 |
0.61 |
COC1C=CC2C(N(C(CC=2C=1)C)CC1CNCCC1)C
|
|
| MCULE-7379988878 |
0.61 |
Cl.C12C(C)NCC(O)C1=CC=C(OC)C=2O
|
|
| MCULE-9372242620 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC#C)=C1
|
|
| MCULE-2746264213 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC(=C(Cl)C=1)Cl
|
|
| MCULE-7480310093 |
0.61 |
COC1C=CC(C(NC(CCN)=O)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-4030860462 |
0.61 |
COC1C=CC(C(NC(C(CN)C)=O)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-1521659933 |
0.61 |
C12C(CCNC1C1C=CC(=CC=1)Cl)=CC(=C(OC)C=2)OC
|
|
| MCULE-1714667500 |
0.61 |
[Cl-].[NH2+]1CCC2C(=CC(=C(OC)C=2)O)C1
|
|
| MCULE-5476883252 |
0.61 |
[NH2+]1CCC2C(=CC(=C(O)C=2)OC)C1.[Cl-]
|
|
| MCULE-8269097952 |
0.61 |
C12C(CCN(C)C1C1CC3=C(C=C(C(OC)=C3)OC)C1=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1283993562 |
0.61 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1Cl
|
|
| MCULE-4680595689 |
0.61 |
C12CN(C)CCC3C(=CC(=C(OC)C=3)OC)C(=O)CC=1C=CC1OCOC2=1
|
|
| MCULE-6107702018 |
0.61 |
C12C(C3C=CC(O)=C(OC)C=3)CNCC=1C=C(O)C(OC)=C2
|
|
| MCULE-1069038161 |
0.61 |
C12C(CCNC1C1=CC=CC(OC)=C1)=CC(O)=C(O)C=2
|
|
| MCULE-5788232203 |
0.61 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MCULE-9378936758 |
0.61 |
N1(CCC(C2C=CC=CC=2)C2=CC=CC=C2)CC2C=C(OC)C(=CC=2C(O)C1(C)C)OC
|
|
| MCULE-5221326965 |
0.61 |
C1(C(=O)NC(C2N(CC3=CC=C(C=C3)C)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=CC=1
|
|
| MCULE-7895611496 |
0.61 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)C)CCC2C1=CC(OC)=C(OC)C=2)C)C1C=CC=CC=1
|
|
| MCULE-7770524819 |
0.61 |
C1=CC(=CC(OC)=C1)C(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C
|
|
| MCULE-9018722707 |
0.61 |
CNC(CN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-4820895135 |
0.61 |
C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)CC1
|
|
| MCULE-9641355433 |
0.61 |
C12=C(CCNC1C1=CC=C(C(OCC)=C1)O)C=C(C(OC)=C2)OC
|
|
| MCULE-3444383736 |
0.61 |
[Cl-].[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(Cl)=C1
|
|
| MCULE-2566681294 |
0.61 |
Cl.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1Cl
|
|
| MCULE-2673032310 |
0.61 |
COC1C=C2C(CN(CC2)CC2(CNCC2)C)=CC=1OC
|
|
| MCULE-1649478493 |
0.61 |
COC1C(OC)=C(OC)C=C(CNC2C3C=CC=CC=3C(C)(C)CC2)C=1
|
|
| MCULE-4622431037 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C1CCN(CC1)C
|
|
| MCULE-4598725164 |
0.61 |
[NH+]1(CCC2=C(C=C(C(O)=C2)OC)[C@@H]1C)CC(CNCCO)O
|
|
| MCULE-9377846925 |
0.61 |
COC1=CC2=C(CC(C3=CC=CC=C3)N(C2)CC2CCNCC2)C=C1
|
|
| MCULE-9592689512 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(Cl)=C1
|
|
| MCULE-4606179260 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-1361991563 |
0.61 |
N1(CCC2=CC(OC)=C(OC)C=C2C1C)C(C)=O
|
|
| MCULE-8116785821 |
0.61 |
C12=C(CCNC1C1C=CC(=C(OC)C=1)OCC)C=C(C(OC)=C2)OC
|
|
| MCULE-9979421344 |
0.61 |
COC1C=C2C(CN(CC2)CCC2CNCC2)=CC=1OC
|
|
| MCULE-7001347500 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1Cl
|
|
| MCULE-2180880212 |
0.61 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1C/C(=N\O)/C(CC(C)C)C2
|
|
| MCULE-3133061092 |
0.61 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1Br
|
|
| MCULE-2226293680 |
0.61 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=NO)C(CC(C)C)C2
|
|
| MCULE-4851406858 |
0.61 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(CCCC3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1667452497 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2514625020 |
0.61 |
C12=C(CCN(C)C1CC(CC1=CC=CC=C1OC)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-7521176347 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC(C2=CC=CC=C2)O)=C1
|
|
| MCULE-4787534732 |
0.61 |
C12C=C(OC)C(=CC=1CNC(C)(C)C2O)OC
|
|
| MCULE-9434387558 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)C2C1C=CC=C(F)C=1)OC
|
|
| MCULE-1734840408 |
0.61 |
C1(OC)C(OC)=CC=C(CNCCC2=CC=CC=C2OC)C=1OC
|
|
| MCULE-3458399117 |
0.61 |
C12=C(CCNC1([H])CC(O)C1C=CC=CC=1)C=C(C(OC)=C2)OC
|
|
| MCULE-6974254958 |
0.61 |
[H]Cl.C12=C(CCNC1C1C=CC=CC=1OC(F)F)C=C(C(OCC)=C2)OCC
|
|
| MCULE-6993630467 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2)CC#C)=C1
|
|
| MCULE-4417264224 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(OCC)=C1)OC
|
|
| MCULE-4607202545 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)Br
|
|
| MCULE-1986838099 |
0.61 |
COC1C=C2C(CN(CC2)CCNC(C)(C)C)=CC=1OC
|
|
| MCULE-2479783706 |
0.61 |
COC1C=C2C(CN(CC2)CCNCC2C=CC=CC=2)=CC=1OC
|
|
| MCULE-3230121031 |
0.61 |
C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-6812287036 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC#N)=O
|
|
| MCULE-1372189946 |
0.61 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-9949254825 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-7012499883 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=C(C)C=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9076009821 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-7388322025 |
0.61 |
C12C(CCNC1C1C=CC(=CC=1)C(F)(F)F)=CC(=C(OC)C=2)OC
|
|
| MCULE-7247796464 |
0.61 |
C12C=C(OC)C(=CC=1CCN(CCC(O)=O)C2C)OC
|
|
| MCULE-4382789115 |
0.61 |
C12=CC(OC)=C(C=C1CCN(CCC(O)=O)[C@H]2C)OC
|
|
| MCULE-1397624299 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2N(C)N=CC=2)=C1
|
|
| MCULE-1204433722 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(O)=C1
|
|
| MCULE-6550420599 |
0.61 |
C1(OC)C(OC)=CC2CN(C(=O)C3C=CC(OC)=CC=3)C(C)(C)CC=2C=1
|
|
| MCULE-3785529494 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC=C1C
|
|
| MCULE-2954496650 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(Cl)=C1
|
|
| MCULE-4514772256 |
0.61 |
COC1=CC2CCN(C(C)(C)C=2C(OC)=C1)C(C=C)=O
|
|
| MCULE-6262872584 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1)O
|
|
| MCULE-3577770822 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(O)=C1)OC
|
|
| MCULE-2288958956 |
0.61 |
COC1C=CC=C(CNC(CC2C=CC(OC)=C(OC)C=2)C)C=1
|
|
| MCULE-5756940801 |
0.61 |
C1(OC)=CC(CCNCC2=CC=CC(=C2)OC2=CC=CC=C2)=CC=C1OC
|
|
| MCULE-7838891400 |
0.61 |
C12C=C(OC)C=CC=1CCNC2C
|
|
| MCULE-5336200750 |
0.61 |
C1(OC)C(OC)=CC(=CC=1OC)CNCCC1C=CC(=C(OC)C=1)OC
|
|
| MCULE-1499760143 |
0.61 |
C1(OC)=C(C=CC=C1CNCCC1C=CC(=C(OC)C=1)OC)OC
|
|
| MCULE-7224014975 |
0.61 |
C12(CNCC3=CC=C(OC)C=C13)CC2
|
|
| MCULE-6103579813 |
0.61 |
C12C(CCN(C)C1CC(C1=CC=CC=C1)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9147655812 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC(C)=C)=O
|
|
| MCULE-1109066710 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1CC=C)=O
|
|
| MCULE-1950123574 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(F)=C1
|
|
| MCULE-6946941221 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2)CC(C2=CC=CC=C2)O)=C1
|
|
| MCULE-7117598186 |
0.61 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(=CC=1C2=O)C#N
|
|
| MCULE-1774798781 |
0.61 |
C12OCOC1=CC(CN1CCC3=C(C=C(C(OC)=C3)OC)C1)=CC=2OC
|
|
| MCULE-5058875411 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)C2C1=CC=C2C(OCO2)=C1)OC
|
|
| MCULE-6953984031 |
0.61 |
C12=C(CCNC1C1=CC=CC=C1C(F)(F)F)C=C(C(OC)=C2)OC
|
|
| MCULE-2276975819 |
0.61 |
C12C=C(OC)C(=CC=1CN(CC#C)CC12CCCC1)OC
|
|
| MCULE-4546034069 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(=O)CC1C=CC(=CC=1OC)OC
|
|
| MCULE-6027153823 |
0.61 |
COC1C(OC)=CC2CN(C(CCCNCC3C=CC=CC=3OC)=O)CCC=2C=1
|
|
| MCULE-6602375721 |
0.61 |
C12=C(CCNC1C1=CC(Br)=CC=C1O)C=C(C(OC)=C2)OC
|
|
| MCULE-9929733577 |
0.61 |
CCOC1=C(OCC)C=C2C(CCN(C2)CC2=C(O)C=C3C(OCO3)=C2)=C1
|
|
| MCULE-9393405091 |
0.61 |
C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=C(C)C=C1
|
|
| MCULE-2170210561 |
0.61 |
C1(C(=O)NC(C2N(CC3=CC=CC(OC)=C3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=C(C)C=C1
|
|
| MCULE-7189086765 |
0.61 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC=CC(OC)=C1O
|
|
| MCULE-4691675731 |
0.61 |
Cl.N1(CCC(C2C=CC=CC=2)C2=CC=CC=C2)CC2C=C(OC)C(=CC=2C(O)C1(C)C)OC
|
|
| MCULE-4114861719 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1CCCCC1
|
|
| MCULE-4843959722 |
0.61 |
C1(C(=O)NC(C2N(CC3=CC=C(C=C3)C)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=C(C)C=C1
|
|
| MCULE-6198672137 |
0.61 |
C1(C(=O)NC(C2N(CC3=CC=C(C=C3)C)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=CC=C1C
|
|
| MCULE-2962674479 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C1CCC(CC1)C)C2C1=CC=CC(Cl)=C1)OC
|
|
| MCULE-8952616559 |
0.61 |
C1(C(=O)NC(C2N(CC3=CC=CC=C3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=C(C)C=C1
|
|
| MCULE-4667092841 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
|
|
| MCULE-5617321172 |
0.61 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC=C(C(OC)=C1)OC
|
|
| MCULE-7461137695 |
0.61 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)C)CCC2C1=CC(OC)=C(OC)C=2)C)C(C)C
|
|
| MCULE-4751039880 |
0.61 |
CC(=O)NC(C1N(CC2=CC=C(C=C2)F)CCC2C1=CC(OC)=C(OC)C=2)C
|
|
| MCULE-6708307700 |
0.61 |
COC1C=CC(CNCCC2C=CC=C(C)C=2)=C(OC)C=1OC
|
|
| MCULE-5448818429 |
0.61 |
C1=C(OC)C(OC)=CC(CNCCC2C=CC=CC=2)=C1OC
|
|
| MCULE-8642949477 |
0.61 |
N1C(C)CC2=C(C=C(C=C2)OC)C1
|
|
| MCULE-6599095599 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1CCC(=CC1)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6717389678 |
0.61 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CN1CCN(CC1)C
|
|
| MCULE-2684134875 |
0.61 |
C12CN(C)CCC3C(=CC4=C(OCO4)C=3)C(=O)CC=1C=CC(OC)=C2O
|
|
| MCULE-1703869516 |
0.61 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC=C(C=C1)F
|
|
| MCULE-4590614455 |
0.61 |
CC(C)C[C@@H]1C(=O)C[C@@H]2N(CCC3C2=CC(OC)=C(OC)C=3)C1.CS(=O)(O)=O
|
|
| MCULE-3638196129 |
0.61 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=C(C=1)OC(F)F
|
|
| MCULE-4904266572 |
0.61 |
Cl.C12C(CCNC1C1=CC=CC(OC)=C1)=CC(O)=C(O)C=2
|
|
| MCULE-2236298466 |
0.61 |
C12=C(CCNC1C1=CC=CC=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1837253036 |
0.61 |
C1(CN2CCC3=C(C=C(C(OC)=C3)OC)C2)=CC(OC)=C(C=C1Br)OC
|
|
| MCULE-9242885810 |
0.61 |
C1C(OC)=C(OC)C=C(CNCC2(CCCC2)C2C=CC=CC=2)C=1OC
|
|
| MCULE-5059137518 |
0.61 |
C12=C(CCNC1C1=CC=CC(OC)=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1742113202 |
0.61 |
C12=C(CCNC1C1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OCC
|
|
| MCULE-5273854848 |
0.61 |
C12=C(CCNC1C1=CC=C(C(OC)=C1)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8382322694 |
0.61 |
C12=C(CCNC1C1=CC=C(C=C1)OC(C)C)C=C(C(OCC)=C2)OCC
|
|
| MCULE-9398370750 |
0.61 |
C12=C(CCNC1C1=CC=CC(O)=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5787533740 |
0.61 |
C12C(CCNC1C1=CC=C(C(O)=C1)OC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-6632374371 |
0.61 |
C12=C(CCNC1C1C=CC(=C(OCC)C=1)OCC)C=C(C(OC)=C2)OC
|
|
| MCULE-3424673013 |
0.61 |
[NH+]1(CCC2=C(C=C(C(O)=C2)OC)[C@@H]1C)CC(CNCCO)O.[Cl-]
|
|
| MCULE-4365162804 |
0.61 |
C12=C(CCNC1C1=CC=C(C(OC)=C1)OCC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-4940929925 |
0.61 |
C12=C(CCNC1C1=CC=C(C(OC)=C1)OCC)C=C(C(OC)=C2)OCC
|
|
| MCULE-6226936938 |
0.61 |
C12=C(CCNC1C1=CC=C(C=C1)OCC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5707406567 |
0.61 |
C12=C(CCNC1C1=CC=C(C=C1)O)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5731088201 |
0.61 |
C12=C(CCNC1C1C=CC(=C(OCC)C=1)O)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8710991327 |
0.61 |
C12=C(CCNC1C1=CC=C(C(OCC)=C1)OCC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8653495958 |
0.61 |
C12=C(CCNC1C1C=CC(=CC=1)OCC)C=C(C(OC)=C2)OCC
|
|
| MCULE-3088790765 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1=CC=CC(=C1)C#N
|
|
| MCULE-2889009693 |
0.61 |
C12=C(CCNC1C1C=CC(=C(OCC)C=1)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-7025771109 |
0.61 |
C12C(CCNC1C1C=CC(=C(OC)C=1)O)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-9712006464 |
0.61 |
COC1=CC=C(C(CCN2CC3=C(C=C(C(=C3)OC)OC)CC2)=O)C=C1
|
|
| MCULE-5764963401 |
0.61 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)C(=O)C(C1C=CC=CC=1)C1=CC=CC=C1
|
|
| MCULE-8411584121 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)C(=O)C(C1=CC=CC=C1)C1C=CC=CC=1
|
|
| MCULE-4434421561 |
0.61 |
N1(CCC(=O)N)CCC2=C(C1C1C=CC=CC=1)C=C(OC)C(OC)=C2
|
|
| MCULE-7392876312 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-9715112765 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2844101799 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6887348492 |
0.61 |
C12C(CCN(C)C1CC(=O)C1=CC=C(C=C1)N)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4155115482 |
0.61 |
COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1)=O
|
|
| MCULE-5079665213 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)C2C1C=CC(=CC=1Cl)Cl)OC
|
|
| MCULE-5619283079 |
0.61 |
C1CC2=C([C@@H](N1)CC(OC)=O)C=C(OC)C(OC)=C2
|
|
| MCULE-9033959851 |
0.61 |
Cl.C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-3488414657 |
0.61 |
C12CN(C)CCC3=C(C=C4C(OCO4)=C3)C(=O)CC=1C=CC1OCOC2=1
|
|
| MCULE-4304333091 |
0.61 |
C1(OC)=C(C=CC=C1CNC1CC2=C(C=CC=C2)C1)OC
|
|
| MolPort-002-083-969 |
0.61 |
COC1=C(OC)C=C2CN(CC3=CC(F)=CC=C3)CCC2=C1
|
|
| MolPort-005-683-912 |
0.61 |
COC1=CC2=C(CN(CC(O)C3=CC=CC=C3)CC2)C=C1OC
|
|
| MolPort-009-132-493 |
0.61 |
COC(=O)CC1N(CC=C)CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-002-514-928 |
0.61 |
COC1=C2C(CC(=NO)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-900-802 |
0.61 |
COC(=O)CC1N(CC(C)=C)CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-001-905-793 |
0.61 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-084-132 |
0.61 |
COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=CC2=C1OCO2
|
|
| MolPort-008-492-188 |
0.61 |
COC1=C(OC)C=C2C(NCCC2=C1)C1=C(C=CC=C1)C(F)(F)F
|
|
| MolPort-006-527-114 |
0.61 |
COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C2=CC=C(C)C=C2)=CC=C1
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|
| MolPort-000-699-726 |
0.61 |
[I-].COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-083-930 |
0.61 |
COC1=CC=C(CN2CCC3=CC=CC=C3C2)C=C1OC
|
|
| MolPort-002-533-293 |
0.61 |
COC1=CC(OC)=C(CC(=O)N2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
|
|
| MolPort-000-702-900 |
0.61 |
[Cl-].COC1=CC2=C(C=C1OC)C(O)C(C)(C)[NH+](CCC(C1=CC=CC=C1)C1=CC=CC=C1)C2
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|
| MolPort-005-611-917 |
0.61 |
CCOC1=CC2=C(CN(CC3=CC4=C(OCO4)C=C3O)CC2)C=C1OCC
|
|
| MolPort-003-181-163 |
0.61 |
COC1=CC=CC(CN2CCC3=CC=CC=C3C2)=C1O
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|
| MolPort-016-931-744 |
0.61 |
COC1=C(OC)C=C2C(C(C)NC(C)=O)N(CC3=CC=C(F)C=C3)CCC2=C1
|
|
| MolPort-006-527-109 |
0.61 |
COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C(C)NC(=O)C2=CC=C(C)C=C2)C=C1
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|
| MolPort-000-937-900 |
0.61 |
COC1=CC(OC)=C(OC)C=C1CNCCC1=CC=CC=C1
|
|
| MolPort-006-527-094 |
0.61 |
COC1=C(OC)C=C2C(C(C)NC(=O)C3=CC=C(C)C=C3)N(CC3=CC=C(C)C=C3)CCC2=C1
|
|
| MolPort-002-133-698 |
0.61 |
COC1=C(OC)C=C2C(NCCC2=C1)C1=C(O)C=CC(Br)=C1
|
|
| MolPort-006-527-097 |
0.61 |
COC1=C(OC)C=C2C(C(C)NC(=O)C3=C(C)C=CC=C3)N(CC3=CC=C(C)C=C3)CCC2=C1
|
|
| MolPort-002-160-252 |
0.61 |
COC1=C(OC)C=C2C(N(CC3CCCCC3)CCC2=C1)C1=CC(Cl)=CC=C1
|
|
| MolPort-002-513-270 |
0.61 |
COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-326 |
0.61 |
COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-138-802 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C(O)C(C)(C)N(CCC(C1=CC=CC=C1)C1=CC=CC=C1)C2
|
|
| MolPort-006-527-119 |
0.61 |
COC1=C(OC)C=C2C(C(C)NC(=O)C3=CC=C(C)C=C3)N(CC3=CC=CC=C3)CCC2=C1
|
|
| MolPort-002-513-136 |
0.61 |
COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-113 |
0.61 |
COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-006-527-092 |
0.61 |
COC1=C(OC)C=C2C(C(C)NC(=O)CC(C)C)N(CC3=CC=C(C)C=C3)CCC2=C1
|
|
| MolPort-002-160-259 |
0.61 |
COC1=CC2=C(C=C1OC)C(N(CC2)C1CCC(C)CC1)C1=CC(Cl)=CC=C1
|
|
| MolPort-044-181-443 |
0.61 |
CS(O)(=O)=O.COC1=C(OC)C=C2[C@@H]3CC(=O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-000-725-324 |
0.61 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC(OC(F)F)=CC=C2)C=C1OCC
|
|
| MolPort-000-728-904 |
0.61 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC=C(F)C=C2)C=C1OCC
|
|
| MolPort-019-940-288 |
0.61 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)CN2CC[NH+](C)CC2)C=C1OCC
|
|
| MolPort-002-717-568 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC(OC)=C(OC)C=C1
|
|
| MolPort-002-712-811 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC(OC)=CC=C1
|
|
| MolPort-002-711-773 |
0.61 |
CCOC1=CC=C(C=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
|
|
| MolPort-002-711-950 |
0.61 |
CCOC1=C(O)C=CC(=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
|
|
| MolPort-003-181-081 |
0.61 |
COC1=CC(Br)=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1OC
|
|
| MolPort-002-712-295 |
0.61 |
CCOC1=C(OC)C=C(C=C1)C1NCCC2=CC(OCC)=C(OC)C=C12
|
|
| MolPort-002-712-400 |
0.61 |
CCOC1=CC=C(C=C1)C1NCCC2=CC(OCC)=C(OC)C=C12
|
|
| MolPort-009-758-024 |
0.61 |
Cl.COC1=C(O)C=C2CCN(CC(O)CNCCO)[C@H](C)C2=C1
|
|
| MolPort-002-712-406 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC(OC)=C(O)C=C1
|
|
| MolPort-002-712-498 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC(O)=C(OC)C=C1
|
|
| MolPort-002-712-682 |
0.61 |
CCOC1=C(OCC)C=C(C=C1)C1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-002-712-747 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC(O)=CC=C1
|
|
| MolPort-001-943-348 |
0.61 |
COC1=C(OC)C=C2C(C)N(CCC2=C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-002-711-715 |
0.61 |
CCOC1=C(OCC)C=C(C=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
|
|
| MolPort-002-711-670 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=C(O)C=C1
|
|
| MolPort-002-711-777 |
0.61 |
CCOC1=C(OC)C=C(C=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
|
|
| MolPort-002-713-866 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=C(OC(C)C)C=C1
|
|
| MolPort-004-946-398 |
0.61 |
COC1=CC2=C(C=C1OC)C(N(CCC(N)=O)CC2)C1=CC=CC=C1
|
|
| MolPort-002-712-914 |
0.61 |
CCOC1=C(OC)C=C2C(NCCC2=C1)C1=CC(OC)=C(OC)C=C1
|
|
| MolPort-002-536-558 |
0.61 |
COC1=C(OC)C=C2[C@H](C)N(CCC2=C1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-002-713-091 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=CC=C1
|
|
| MolPort-000-700-970 |
0.61 |
[Cl-].COC1=C(O)C=C2CC[NH+](CC(O)CNCCO)[C@@H](C)C2=C1
|
|
| MolPort-002-660-572 |
0.61 |
COC1=C(OC)C=C2C(C)N(CC3=CC(=CC=C3)C#N)CCC2=C1
|
|
| MolPort-002-712-908 |
0.61 |
CCOC1=C(OC)C=CC(=C1)C1NCCC2=CC(OCC)=C(OCC)C=C12
|
|
| MolPort-000-741-298 |
0.61 |
[I-].COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-824-708 |
0.61 |
COC(=O)CC1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-002-513-169 |
0.61 |
COC1=CC(C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=C(OC)C=C1
|
|
| MolPort-002-533-940 |
0.61 |
COC1=C2C(CC(=O)C3=CC=C(N)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-584-921 |
0.61 |
COC1=CC2=C(C=C1OC)C(N(C)CC2)C1=C(Cl)C=C(Cl)C=C1
|
|
| MolPort-000-736-462 |
0.61 |
[I-].COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-835-724 |
0.61 |
[I-].COC1=C2C(CC(=O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-516-084 |
0.61 |
COC1=CC(C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
|
|
| MolPort-016-584-275 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CNC2CC(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-000-882-087 |
0.61 |
CN1CCC2=C(C=C3OCOC3=C2)C(=O)CC2=CC=C3OCOC3=C2C1
|
|
| MolPort-016-585-559 |
0.61 |
COC1=CC=CC(CNC2CC3=CC=CC=C3C2)=C1OC
|
|
| MolPort-003-183-584 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C(C)N(CCC(O)=O)CC2
|
|
| MolPort-002-141-990 |
0.61 |
COC1=C(OC)C=C2CN(CC3=C(Br)C=CC=C3)CCC2=C1
|
|
| MolPort-003-321-873 |
0.61 |
OC1=C(CN2CCC3=C(C2)C=CC=C3)C=C2OCOC2=C1
|
|
| MolPort-000-710-764 |
0.61 |
[Cl-].COC1=C(OC)C=C2[C@H](C)[NH+](CCC(O)=O)CCC2=C1
|
|
| MolPort-002-513-184 |
0.61 |
COC1=CC=C(C=C1)C(\CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12)=N/O
|
|
| MolPort-009-757-877 |
0.61 |
Cl.COC1=C(OC)C=C2CN(CC3=CC=C(Br)C=C3)CCC2=C1
|
|
| MolPort-002-713-094 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=C(C)C=C1
|
|
| MolPort-020-347-274 |
0.61 |
COC1=CC2=C(CN(CC2)C=O)C=C1OC
|
|
| MolPort-002-084-001 |
0.61 |
COC1=C(OC)C=C2CN(CC3=CC=C(F)C=C3)CCC2=C1
|
|
| MolPort-000-745-073 |
0.61 |
[Cl-].COC1=C(OC)C=C2C[NH+](CC3=CC=C(Br)C=C3)CCC2=C1
|
|
| MolPort-002-712-748 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=C(CC)C=C1
|
|
| MolPort-001-505-150 |
0.61 |
COC1=CC=C(CNCCC2=CC=C3OCOC3=C2)C(OC)=C1OC
|
|
| MolPort-009-757-904 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)[C@H](C)N(CCC(O)=O)CC2
|
|
| MolPort-002-712-861 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=CC=C(C=C1)C(C)C
|
|
| MolPort-002-712-751 |
0.61 |
CCOC1=C(OC)C=C2C(NCCC2=C1)C1=CC=C(CC)C=C1
|
|
| MolPort-002-508-536 |
0.61 |
COC1=CC2=C(C=C1OC)C1(CCOCC1)CN(C)C2
|
|
| MolPort-002-711-382 |
0.61 |
CCOC1=C(OC)C=C2C(NCCC2=C1)C1=C(O)C=CC(Cl)=C1
|
|
| MolPort-002-160-273 |
0.61 |
COC1=C(OC)C=C2C(N(CC3=CC4=CC=CC=C4C=C3)CCC2=C1)C1=CC(Cl)=CC=C1
|
|
| MolPort-002-160-248 |
0.61 |
COC1=C(OC)C=C2C(N(CC3=C4C=CC=CC4=CC4=CC=CC=C34)CCC2=C1)C1=CC(Cl)=CC=C1
|
|
| MolPort-000-815-084 |
0.61 |
COC1=C2C(CC3=C(C=C(C=C3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-586-526 |
0.61 |
Cl.COC1=C(OC)C=C2C(N(CCC2=C1)C1CCC(C)C1)C1=CC(Cl)=CC=C1
|
|
| MolPort-042-585-422 |
0.61 |
COC1=CC=C2C(C)N(CCCS(N)(=O)=O)C(C)CC2=C1
|
|
| MolPort-006-643-783 |
0.61 |
COC1=C(OC)C=C2C(N(CCC2=C1)C(=O)C1=C(OC)C=CC=C1)C1=CC=CC=C1
|
|
| MolPort-003-182-338 |
0.61 |
COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C2=CC(Cl)=CC=C2)C2=CC=CC=C12
|
|
| MolPort-006-643-687 |
0.61 |
COC1=C(OC)C=C2C(C(C)C)N(CCC2=C1)C(=O)C1=CC(Cl)=C(Cl)C=C1
|
|
| MolPort-003-998-645 |
0.61 |
Cl.COC1=CC=C(CCNCC2=CC=CC(OC3=CC=CC=C3)=C2)C=C1OC
|
|
| MolPort-002-513-288 |
0.60 |
COC1=C2C(CC(=O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-248 |
0.60 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-621-793 |
0.60 |
COC1=CC(CNC2CCCC3=C2C=CC=C3)=CC(OC)=C1OC
|
|
| MolPort-000-744-641 |
0.60 |
[I-].COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-035-834-221 |
0.60 |
CCOC1=CC2=C(CN(CC#N)CC2)C=C1OCC
|
|
| MolPort-002-513-199 |
0.60 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-728-963 |
0.60 |
[Cl-].COC1=C(OC)C=C2C[NH+](CC3=CC(F)=CC=C3)CCC2=C1
|
|
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0.60 |
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C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2.[I-]
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| MCULE-3662198345 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)C=CC1C=CC=CC=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-7542405721 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(C)=CC3=C(C(C)(C)CC(C)C3(C)C)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4721308744 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7189515979 |
0.60 |
C1(CNC(C)C(O)C2C=CC=CC=2)=CC(OC)=C(C=C1OC)OC
|
|
| MCULE-5045391238 |
0.60 |
CCOC1=C(OCC)C=C2C(CCN(C2)CC#N)=C1
|
|
| MCULE-8570299328 |
0.60 |
C1(OC)C(OC)=CC(=CC=1OC)CNC1CCCC2C=CC=CC1=2
|
|
| MCULE-4189715956 |
0.60 |
[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(F)=C1.[Cl-]
|
|
| MCULE-2264627778 |
0.60 |
C12CNCCC1=C(OC)C1OCOC=1C=2
|
|
| MCULE-4867337350 |
0.60 |
C12=C(CCNC1C1=CC=CC(Cl)=C1)C=C(C(OC)=C2)OC
|
|
| MCULE-6584101125 |
0.60 |
CNCC(C(NC(C1C=CC(OC)=C(OC)C=1)CC1C=CC=CC=1C)=O)C
|
|
| MCULE-8136424666 |
0.60 |
CNCCC(NC(C1C=CC(OC)=C(OC)C=1)CC1C=CC=CC=1C)=O
|
|
| MCULE-5743628603 |
0.60 |
C1(C=C(C=O)C=C(OC)C=1O)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-3967346200 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)C(=O)C1C=CC(=CC=1)CCCC
|
|
| MCULE-4282570649 |
0.60 |
[Cl-].[NH+]1(CC#C)CC2=CC(OC)=C(C=C2C2(CCCC2)C1)OC
|
|
| MCULE-2706555127 |
0.60 |
C(O)(=O)C(O)=O.N1(CCC2C=CC=CC=2C1)C1CCN(CC1)CC1=CC(=C(OC)C=C1OC)OC
|
|
| MCULE-4616017166 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C(C)=C1)OC
|
|
| MCULE-7058700631 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)CC(=O)N(C)CC1C=CC=CC=1OC
|
|
| MCULE-4343533123 |
0.60 |
N1(C(CCCC)=O)CC2C=C(OC)C(=CC=2CC1(C)C)OC
|
|
| MCULE-2335834499 |
0.60 |
COC1=CC(C2N(C(CC3=CC(OC)=C(OC)C(OC)=C3)=O)CCC2)=C(OC)C=C1
|
|
| MCULE-2357696524 |
0.60 |
CCCNC(CN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-7252269771 |
0.60 |
C12CN(C)CC(O)C1=CC1OCOC=1C=2OC
|
|
| MCULE-9117788890 |
0.60 |
C(C(=O)NC(C1N(CC2=CC=CC(C)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)C(C)C
|
|
| MCULE-9456336604 |
0.60 |
C1(C(=O)NC(C2N(CC3=CC=CC(C)=C3)CCC3C2=CC(OC)=C(OC)C=3)C)=CC=C(C=C1)OC
|
|
| MCULE-4074321516 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C(C)NC(C)=O)CC1C=CC=CC=1F
|
|
| MCULE-4739778900 |
0.60 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)F)CCC2C1=CC(OC)=C(OC)C=2)C)C
|
|
| MCULE-3838117230 |
0.60 |
COC1C=CC(CCC(NCC2C3C=CC=CC=3CCN2)=O)=C(OC)C=1OC
|
|
| MCULE-3377902522 |
0.60 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)CN1CC[NH+](C)CC1.[Cl-]
|
|
| MCULE-1673742900 |
0.60 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=C(F)C=1
|
|
| MCULE-7099017026 |
0.60 |
COC1C(OC)=CC2C(N(C(C3C=CC=CC=3OC)=O)CCC=2C=1)CC(=O)O
|
|
| MCULE-2272282396 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5486251596 |
0.60 |
C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5520365684 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-5120562326 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(F)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-9124960968 |
0.60 |
Cl.COC1=CC2=C(CC(NC2)C)C=C1
|
|
| MCULE-1806673452 |
0.60 |
C1([C@@H]2CCCN2)C(C)=CC=C(OC)C=1O
|
|
| MCULE-1349282200 |
0.60 |
C1([C@H]2CCCN2)C(C)=CC=C(OC)C=1O
|
|
| MCULE-4567571601 |
0.60 |
C12=C(CCNC1C1=CC=C(C(OC)=C1)OC)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-2872319087 |
0.60 |
C12C(CCNC1C1C=CC(=CC=1)Br)=CC(=C(OC)C=2)OC
|
|
| MCULE-4635551531 |
0.60 |
C12=C(CCNC1C1=CC=C3C(C=CC=C3)=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2502262627 |
0.60 |
[H]Cl.C12=C(CCNC1C1C=CC(=C(OCC)C=1)OCC)C=C(C(OC)=C2)OC
|
|
| MCULE-9289686860 |
0.60 |
C12=C(CCNC1C1=CC=C(C3C=CC=CC1=3)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-3329902954 |
0.60 |
[H]Cl.C12C(CCNC1C1=CC=C(C(O)=C1)OC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-3813646250 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OCC
|
|
| MCULE-1541475154 |
0.60 |
C12=C(CCNC1C1=CC=CC(O)=C1)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-4626304138 |
0.60 |
C1(O)C(OC)=CC(=CC=1Br)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-6761995380 |
0.60 |
C12=C(CCNC1C1=CC=C(C=C1)OC(C)C)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-1123416459 |
0.60 |
C12=C(CCNC1C1=CC=CC(OC)=C1)C=C(C(OCC)=C2)OCC.[H]Cl
|
|
| MCULE-5777228804 |
0.60 |
COC1C=C2C(CN(CC2)CC2CNCCC2)=CC=1OC
|
|
| MCULE-5166987016 |
0.60 |
C1(=C(C=CC=C1Cl)Cl)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-5274835684 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=CC=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5835532907 |
0.60 |
Cl.C1C(OC)=C(OC)C=C(CNCC2(CCCC2)C2C=CC=CC=2)C=1OC
|
|
| MCULE-8806301368 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=C(C(OC)=C1)OCC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8693621202 |
0.60 |
N1(C)CC2=C(C1CC1C=CC(OCC3C=CC=CC=3)=CC=1)C=C(OCC1C=CC=CC=1)C(OC)=C2
|
|
| MCULE-4038038700 |
0.60 |
N1(C(=O)C(C)(C)C)CCC2=C(C1C1C=CC=CC=1)C=C(OC)C(OC)=C2
|
|
| MCULE-6137642791 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C1=CC=CC(OC2C=CC=CC=2)=C1
|
|
| MCULE-4971415086 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C1=CC=CC(F)=C1)CC1C=CC=C(OC)C=1
|
|
| MCULE-3036028108 |
0.60 |
C1(OC)C=C2CCN(C(C(C)C)=O)C(C3C=CC(OC)=CC=3)C2=CC=1OC
|
|
| MCULE-1992177673 |
0.60 |
Cl.COC1=CC=C(C(CCN2CC3=C(C=C(C(=C3)OC)OC)CC2)=O)C=C1
|
|
| MCULE-1026354045 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=CC(=C(OC)C=1)OC)C(=O)C(C)(C)C
|
|
| MCULE-2378738981 |
0.60 |
C1(OC)C=C2CCN(C(C(C)C)=O)C(C3C=CC=CC=3)C2=CC=1OC
|
|
| MCULE-2814552312 |
0.60 |
Cl.COC(CC1C2=C(C=C(C(=C2)OC)OC)CCN1)=O
|
|
| MCULE-4557116195 |
0.60 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
|
|
| MCULE-3947929443 |
0.60 |
Cl.C12OCOC=1C=C1C(=O)CC3C=CC4OCOC=4C=3CN(C)CCC1=C2
|
|
| MCULE-1509373196 |
0.60 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1C(C1=CC=CC=C1C2=O)C(=O)NCC1C=CC(=CC=1OC)OC
|
|
| MCULE-3853113612 |
0.60 |
C1(O)C(=CC=CC=1CNCCC1=CC=C(C(OC)=C1)OC)OC
|
|
| MCULE-1912002365 |
0.60 |
C12C(C)NCCC=1C=C(OC)C=C2
|
|
| MCULE-1831376416 |
0.60 |
C1(OC)=CC(CCNCC2=CC(OC)=CC(OC)=C2)=CC=C1OC
|
|
| MCULE-6515549200 |
0.60 |
COC1=C(O)C(CN2CC3=C(C=CC=C3)CC2)=CC(C)=C1
|
|
| MCULE-6490251447 |
0.60 |
C1C(OC)=C(OC)C=C(CNCCC2=CC=CC=C2OC)C=1OC
|
|
| MCULE-8240380188 |
0.60 |
C1(=CC=C(C(C)=C1OC)OC)CN1CCC2=C(C=CC=C2)C1
|
|
| MCULE-6862080932 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC=CC=1F
|
|
| MCULE-3015001203 |
0.60 |
COC1C=C2C(CN(CC2)CCN2CCNCC2)=CC=1OC
|
|
| MCULE-5237838339 |
0.60 |
C(F)(F)(F)C1C=CC(=CC=1)CN1CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-5437247955 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)CC1=CC=CC(OC(C)CN)=C1
|
|
| MCULE-4873311240 |
0.60 |
C12CN(CCC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-2648196595 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)CC1C=CC=CC=1
|
|
| MCULE-5701750368 |
0.60 |
[H]Cl.C12C(CCNC1C1C=CC(=CC=1)C(C)C)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-4055719667 |
0.60 |
[H]Cl.C12=C(CCNC1C1C=CC(=CC=1)C)C=C(C(OCC)=C2)OCC
|
|
| MCULE-9282027843 |
0.60 |
[H]Cl.C12=C(CCNC1C1C=CC(=CC=1)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5490518579 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1)Cl
|
|
| MCULE-8607238439 |
0.60 |
C(C(=O)O)(=O)O.C1(CNC2CCCC3C=CC=CC2=3)=CC(OC)=C(C=C1OC)OC
|
|
| MCULE-4181361052 |
0.60 |
N1(CC2C=CC=CC=2)CC2C=C(OC)C(=CC=2C(=O)C1(C)C)OC
|
|
| MCULE-9946345114 |
0.60 |
N1(CC2C=C(OC)C(=CC=2CC1(C)C)OC)C(=O)C1=CC=C(C(OC)=C1)OC
|
|
| MCULE-8336256885 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CC(C(O)C)O)=C1
|
|
| MCULE-9819277983 |
0.60 |
C12C=C(OC)C(=CC=1CN(C)CC12CCOCC1)OC.Cl
|
|
| MCULE-3465670783 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C=CC(=CC=1)CC
|
|
| MCULE-9165637028 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1)C(C)C
|
|
| MCULE-1138568203 |
0.60 |
C12C=C(OC)C(=CC=1CCN(C)C2C1C=CC(=C(Cl)C=1)Cl)OC
|
|
| MCULE-5530693331 |
0.60 |
C1(OC)C=C2CCN(C(C(CC)C3C=CC=CC=3)=O)C(C3C=C(OC)C(OC)=CC=3)C2=CC=1OC
|
|
| MCULE-3208253083 |
0.60 |
Cl.C12C3(CCCC3)CNC(CO)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9482928726 |
0.60 |
C12=C(CCN(C)C1CN(=O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5523358635 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2=NN(C)N=C2)=C1
|
|
| MCULE-5221048285 |
0.60 |
C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6025936245 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C(C)=CC3=C(C(C)(C)CC(C)C3(C)C)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6067588070 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9215268019 |
0.60 |
C12=C(CCN(C)C1CC(C)(NC=O)C(=O)CC1CCCC1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4497568477 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9792486342 |
0.60 |
C12=C(CCN(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7332159014 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7821758878 |
0.60 |
C(C(=O)NC(C1N(CC2=C(F)C=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)C)C
|
|
| MCULE-4314346290 |
0.60 |
COC1C=CC(C(NC(CCCN)=O)CC2C=CC=CC=2C)=CC=1OC
|
|
| MCULE-8828952955 |
0.60 |
C1(CNC(C)C(O)C2C=CC=CC=2)=CC(OC)=C(C=C1OC)OC.Cl
|
|
| MCULE-5635659244 |
0.60 |
CCN1CC(O)C2=CC3=C(C(OC)=C2C1)OCO3
|
|
| MCULE-4521632107 |
0.60 |
CCOC1C=C2C(CN(CC2)CC(N)(C)C)=CC=1OCC
|
|
| MCULE-1433743784 |
0.60 |
COC1C2=C(OCO2)C=C2C=1CN(C(C)C)CC2O
|
|
| MCULE-9412010803 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C1=CC=C(C=C1)OC1=CC=CC=C1
|
|
| MCULE-1450784249 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)C(=O)CC(C1C=CC=CC=1)C1=CC=CC=C1
|
|
| MCULE-9646372346 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C(C)(C)C
|
|
| MCULE-5561395813 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C(C)C)=O)C2)=C1
|
|
| MCULE-7283815365 |
0.60 |
COC1C=C2C(C(N(CC2)CC2CCC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6604576091 |
0.60 |
COC1=CC(O)=C(CN2CC3=C(C=CC=C3)CC2)C=C1
|
|
| MCULE-5865729061 |
0.60 |
C12=CC(OC)=C(C=C1CCN(CC)C2C(C(C)C)NC(C1C=CC=CC=1)=O)OC
|
|
| MCULE-1746486587 |
0.60 |
N12CCC(=O)CC1CC1=CC(OC)=C(O)C=C1C2
|
|
| MCULE-5606089552 |
0.60 |
C1(OC)C(OC)=CC=C(CNCCC2=CC=C(C=C2)Cl)C=1OC
|
|
| MCULE-6624106665 |
0.60 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC=CC(=C1)OC1C=CC=CC=1
|
|
| MCULE-7721570200 |
0.60 |
C(C(=O)NC(C1N(CC2=CC=C(C=C2)C)CCC2C1=CC(OC)=C(OC)C=2)CC)(C)C
|
|
| MCULE-7541599160 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1C(C)=CC(=C(C)C=1)OC
|
|
| MCULE-9644715709 |
0.60 |
C1(OC)C=C2CCN(C(C)=O)C(C3C=CC(OC)=CC=3)C2=CC=1OC
|
|
| MCULE-9532436275 |
0.60 |
Cl.COC1=C(OC)C(OC)=C(CNC(C2=CC=CC=C2)C(C)C)C=C1
|
|
| MCULE-2512323393 |
0.60 |
N12CCC(=O)CC1CC1=CC(O)=C(OC)C=C1C2
|
|
| MCULE-2388335704 |
0.60 |
C1(CNCCC2=CC=C(C(OC)=C2)OC)C=C(OC)C=CC=1OC
|
|
| MCULE-7129096149 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=C(C(OC)=C1)OC)C(C)=O
|
|
| MCULE-4256618469 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(F)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3724291783 |
0.60 |
C(C(=O)NC(C1N(CC2C=CC=C(F)C=2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
|
|
| MCULE-2005427147 |
0.60 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=C(Br)C=1
|
|
| MCULE-1362590105 |
0.60 |
Cl.CCOC1=C(OCC)C=C2C(CCNC2)=C1
|
|
| MCULE-9688998015 |
0.60 |
C1(C(CC)=CC(=C(OC)C=1)OC)C(CC1C=CC=CC=1)NC(=O)C1=CC=C(C=C1)Br
|
|
| MCULE-2262531675 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC(NCC2CC2)=O)=C1
|
|
| MCULE-7677232966 |
0.60 |
Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1247553422 |
0.60 |
C12(CCC(=O)N1CCC1C=C(OC)C(OC)=CC2=1)C1C=CC=CC=1
|
|
| MCULE-6553222584 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2OC)OC)C1C1=CC=CC(OC)=C1)C(=O)C(F)(F)F
|
|
| MCULE-3934204291 |
0.60 |
C(O)(=O)C(O)=O.N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(C)=C1)OC
|
|
| MCULE-9857236549 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=CC=CC=1)C(C)=O
|
|
| MCULE-1141280103 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)I)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3547320981 |
0.60 |
Cl.C12CNCCC1=C(OC)C1OCOC=1C=2
|
|
| MCULE-4672639338 |
0.60 |
C12=C(O)C(OC)=CC=C1CCN(C(C)=O)C2
|
|
| MCULE-5131661097 |
0.60 |
C12CN(C(C)(C)C)CC(O)C1=CC1OCOC=1C=2OC
|
|
| MCULE-2668000253 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)C(=O)C=C
|
|
| MCULE-7440917733 |
0.60 |
C12=C(CCN(C)C1CC(=NO)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3257801266 |
0.60 |
C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-9582795993 |
0.60 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-2217428265 |
0.60 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-7728607823 |
0.60 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-4289242615 |
0.60 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9646553011 |
0.60 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-7946818376 |
0.60 |
COC1C=C2C(C(N(C(C(C)C)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-3290305628 |
0.60 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
|
|
| MCULE-2264058895 |
0.60 |
COC1C=C2C(C(N(C(=O)C)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-4887186987 |
0.60 |
CC1C2=C(C=C3C(=C2)OCCO3)C2(CCCC2)CN1CCCCC#N
|
|
| MCULE-4474557052 |
0.60 |
CCC(N1C(CC(=O)O)C2C=C(C(=CC=2CC1)OC)OC)=O
|
|
| MCULE-9733700184 |
0.60 |
C12=CC(OCC)=C(OCC)C=C1C(CC(=O)O)NCC2
|
|
| MCULE-9521564173 |
0.60 |
C1(OC)C=C2CCN(C(C3=CC(=CC(OC)=C3)OC)=O)C(C3C=CC(OC)=CC=3)C2=CC=1OC
|
|
| MCULE-9684113781 |
0.60 |
C12C(CCNC1CC(NN)=O)=CC(=C(OC)C=2)OC
|
|
| MCULE-6216636059 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(=O)C(CC)C1C=CC=CC=1
|
|
| MCULE-9580290199 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2=CC=CC=C2)CCC(O)=O)=C1
|
|
| MCULE-9094304676 |
0.60 |
N1(C)CC2=C(C1CC1C=CC(OCC3C=CC=CC=3)=CC=1)C=C(OCC1C=CC=CC=1)C(OC)=C2.Cl
|
|
| MCULE-1167385848 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=C(Cl)C=1)Cl
|
|
| MCULE-6143838453 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)[C@@H]1C)CC(O)=O
|
|
| MCULE-8442210659 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2)CC(C(O)C)O)=C1
|
|
| MCULE-9987838511 |
0.60 |
COC1=C(C(N2CCC3C=C(OC)C(OC)=CC=3CC2)=O)C(O)=CC=C1
|
|
| MCULE-5381682165 |
0.60 |
C12=C(CCNC1C1=CC=C(C=C1)F)C=C(C(OC)=C2)OC
|
|
| MCULE-7978810010 |
0.60 |
[Cl-].C12=C(CC[N+]([H])([H])C1C1C=CC(=CC=1)Br)C=C(C(OC)=C2)OC
|
|
| MCULE-2642047697 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C)CC(O)=O
|
|
| MCULE-9634133821 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=C3C(C=CC=C3)=C1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-6499217464 |
0.60 |
C12=C(CCNC1C1C=CC=CC=1C)C=C(C(OCC)=C2)OCC
|
|
| MCULE-7265358340 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=C(C3C=CC=CC1=3)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1296411842 |
0.60 |
C12=CC(=C(OC)C=C1CCNC2C1C=CC(N)=CC=1)OC
|
|
| MCULE-4697846334 |
0.60 |
N1(C2CNCC2)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-3541700834 |
0.60 |
N1(C)CCC2C(=CC3=C(OCO3)C=2)C1
|
|
| MCULE-4957415832 |
0.60 |
C1(OC)C(OC)=CC=C(CN(C)CC2CCN(CC2)CCC2=CC=C(C=C2)OC)C=1OC
|
|
| MCULE-5433028519 |
0.60 |
COC1C=CC(CNC2CC3C=CC=CC=3C2)=C(OC)C=1
|
|
| MCULE-7350211560 |
0.60 |
COC1C(OC)=CC(OC)=C(CNCCC2C=CC=C(C)C=2)C=1
|
|
| MCULE-1426657592 |
0.60 |
C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1335806679 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=C(Cl)C=CC=1Cl)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1592007325 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-6725886454 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3598814286 |
0.60 |
[Cl-].C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4950746798 |
0.60 |
C12C(CC[N+](C)(C)C1CC(=O)C1C=C(Cl)C=CC=1Cl)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3800946338 |
0.60 |
CCCCN1CC(O)C2=CC3=C(C(OC)=C2C1)OCO3
|
|
| MCULE-2505785229 |
0.60 |
C1(C(=O)NC(C2N(CC)CCC3C2=CC(OC)=C(OC)C=3)C)C=CC=C(Cl)C=1
|
|
| MCULE-8478233584 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1C=C(OC)C(=C(OC)C=1)OC)C(NC)=S
|
|
| MCULE-6538964356 |
0.60 |
C1(OC)C=C2CCN(C(CCC3C=CC=CC=3)=O)C(C3C=C(OC)C(OC)=CC=3)C2=CC=1OC
|
|
| MCULE-4041083542 |
0.60 |
C1(OC)C=C2CCN(C(CCC3C=CC=CC=3)=O)C(C3C=CC=CC=3)C2=CC=1OC
|
|
| MCULE-9887118202 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1)OCC
|
|
| MCULE-4858398920 |
0.60 |
Cl.N1(CC2C=CC=CC=2)CC2C=C(OC)C(=CC=2C(=O)C1(C)C)OC
|
|
| MCULE-1396284513 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=CC(C)=C1
|
|
| MCULE-7158735975 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1C1=CC=CC(Cl)=C1)CC1=CC=C(C=C1C)C
|
|
| MCULE-4705851229 |
0.60 |
C12=C(CCNC1C1=CC(C)=C(C(C)=C1)O)C=C(C(OCC)=C2)OCC
|
|
| MCULE-3751958869 |
0.60 |
C12=C(CCNC1C1=CC=C(C(C)=C1)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-4736583123 |
0.60 |
C12=C(CCNC1C1=CC=CC(F)=C1)C=C(C(OC)=C2)OC
|
|
| MCULE-6025588999 |
0.60 |
C1(C2C=CC=CC=2)C(C(C)(C)C)NCC2C=CC(OC)=CC1=2
|
|
| MCULE-1451784118 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC=C1F.Cl
|
|
| MCULE-1045795378 |
0.60 |
C1C(OC)=C(OC)C=C(CNCCC2=CC=C3C(OCO3)=C2)C=1OC
|
|
| MCULE-8945666541 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2)CC2=C(N)C=CC=C2)=C1
|
|
| MCULE-7754493519 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(Br)=C1
|
|
| MCULE-7169337193 |
0.60 |
COC1C=C2C(CN(CC2)CC2C=CC=C(N)C=2)=CC=1OC
|
|
| MCULE-1287240308 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1)C(C)=O
|
|
| MCULE-7917801743 |
0.60 |
C12C(CCNC1C1=CC=C(C(OCC)=C1)O)=CC(=C(O)C=2)O
|
|
| MCULE-6803226824 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)C1C=CC=CC=1
|
|
| MCULE-3680491471 |
0.60 |
Cl.C12CN(CCC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-8555442596 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-1793721451 |
0.60 |
C12C(CCNC1C1C=CC(OC)=CC=1)=CC(O)=C(O)C=2
|
|
| MCULE-6040652277 |
0.60 |
C12C=C(OC)C=CC=1CCNC2C1C=CC=CC=1
|
|
| MCULE-4148647396 |
0.60 |
COC1=CC2=C(CNC3(C2)CC3)C=C1
|
|
| MCULE-2172494542 |
0.60 |
COC1C=CC(OC)=C(C(NC2CC3C=CC=CC=3C2)C)C=1
|
|
| MCULE-8204517595 |
0.60 |
Cl.COC1=CC2=C(C(NCC2)C)C=C1
|
|
| MCULE-3700587735 |
0.60 |
C12=C(CC[NH+](C)C1CC(C1CCC(=CC1)C)=N[O-])C=C1C(OCO1)=C2OC
|
|
| MCULE-9165281016 |
0.60 |
C12C(CCN(C)C1C(C(OCC)=O)C(OCC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8689850745 |
0.60 |
C12C=C(OC)C(=CC=1CCN(CCC1C(C)(C)CCCC=1C)C2C1=CC=CC(Cl)=C1)OC
|
|
| MCULE-6449677632 |
0.60 |
C1(C(=O)NC(C2N(CC)CCC3C2=CC(OC)=C(OC)C=3)C(C)C)=CC=CC=C1C
|
|
| MCULE-5326949284 |
0.60 |
C(NC(=O)NC(C1N(CC2=CC=CC(OC)=C2)CCC2C1=CC(OC)=C(OC)C=2)C)(C)C
|
|
| MCULE-1154213143 |
0.60 |
C12CN(C)CC(O)C1=CC(OC)=C1OCOC1=2
|
|
| MCULE-3431736027 |
0.60 |
COC1=C(OC)C=C2C(CCN(C([C@@H](C(C)C)O)=O)C2C2CC2)=C1
|
|
| MCULE-7742038125 |
0.60 |
C1(C(=O)NC(C2N(CC3C=CC(OC)=CC=3)CCC3C2=CC(OC)=C(OC)C=3)CC)C=CC=CC=1
|
|
| MCULE-4152318373 |
0.60 |
C(NC(=O)NC(C1N(CC2=CC=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)C)C
|
|
| MCULE-3433736096 |
0.60 |
COC1C2=C(OCO2)C=C2C=1CN(CC2O)CC1C=CC=CC=1
|
|
| MCULE-4121824767 |
0.60 |
C(NC(=O)NC(C1N(CC2C=CC(OC)=CC=2)CCC2C1=CC(OC)=C(OC)C=2)C)C
|
|
| MCULE-8438127340 |
0.60 |
C(C(=O)NC(C1N(CC2=CC=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)CC)C1C=CC=CC=1
|
|
| MCULE-6247429674 |
0.60 |
C(NC(=O)NC(C1N(CC2=CC=CC=C2)CCC2C1=CC(OC)=C(OC)C=2)C)CC
|
|
