| MCULE-4004505826 |
1 |
C12OCOC=1C1C3C=C(OC)C(OC)=CC=3C[C@]3([H])N(C)CCC(=C2)C=13
|
|
| MCULE-6928996904 |
1 |
CN1[C@@]2([H])C3=C(C4OCOC=4C=C3CC1)C1C(C2)=CC(OC)=C(OC)C=1
|
|
| MolPort-006-069-104 |
1 |
COC1=CC2=C(C=C1OC)C1=C3[C@H](C2)N(C)CCC3=CC2=C1OCO2
|
|
| MolPort-044-723-349 |
0.99 |
CN1CCC2=CC3=C(OCO3)C3=C2[C@@H]1CC1=C3C=C2OCOC2=C1
|
|
| MCULE-9373435948 |
0.99 |
C12OCOC=1C1C3C=C4OCOC4=CC=3C[C@]3([H])N(C)CCC(=C2)C=13
|
|
| MCULE-6663204929 |
0.99 |
C12C3CC[N+](C)(C)[C@]1([H])CC1=C(C=C(C=C1)O)C=2C1=C(OCO1)C=3
|
|
| MCULE-8228935658 |
0.99 |
C12C3CC[N+](C)(C)C1CC1=C(C=C(C=C1)O)C=2C1=C(OCO1)C=3
|
|
| MCULE-5299580036 |
0.98 |
C12C3CC[N+](C)(C)C1CC1=C(C=C(C=C1)O)C=2C1=C(OCO1)C=3.[I-]
|
|
| MCULE-2219548088 |
0.98 |
[I-].C12C3CC[N+](C)(C)[C@]1([H])CC1=C(C=C(C=C1)O)C=2C1=C(OCO1)C=3
|
|
| MCULE-6956268414 |
0.98 |
C12=C3CC[N+](C)(C)C1CC1=CC=CC=C1C2=C1C(OCO1)=C3
|
|
| MCULE-7236678366 |
0.98 |
C12=C3CCN(C)[C@]1([H])CC1C(=CC=CC=1)C2=C1C(OCO1)=C3
|
|
| MCULE-9124901233 |
0.98 |
C12=C3CC[N+](C)(C)[C@]1([H])CC1=CC=CC=C1C2=C1C(OCO1)=C3
|
|
| MCULE-5979030323 |
0.98 |
C12C3C=CC=CC=3CC3N(C)CCC(C=C4OCOC=14)=C23
|
|
| MCULE-3912734574 |
0.98 |
C12OCOC=1C1C3C=CC=CC=3C[C@]3([H])N(C)CCC(=C2)C=13
|
|
| MolPort-039-141-795 |
0.98 |
CN1CCC2=C3[C@@H]1CC1=C(C=CC=C1)C3=C1OCOC1=C2
|
|
| MolPort-009-758-085 |
0.98 |
[I-].C[N+]1(C)CCC2=CC3=C(OCO3)C3=C2[C@H]1CC1=CC=C(O)C=C31
|
|
| MolPort-046-158-528 |
0.98 |
COC1=C(OC)C2=C3[C@H](CC4=C2C=C2OCOC2=C4)N(C)CCC3=C1
|
|
| MolPort-000-744-826 |
0.98 |
[I-].C[N+]1(C)CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=C(O)C=C31
|
|
| MolPort-001-728-098 |
0.98 |
CN1CCC2=CC3=C(OCO3)C3=C2[C@H]1CC1=CC=CC=C31
|
|
| MolPort-001-728-191 |
0.98 |
C[N+]1(C)CCC2=CC3=C(OCO3)C3=C2C1CC1=C3C=CC=C1
|
|
| MolPort-000-716-197 |
0.97 |
[I-].C[N+]1(C)CCC2=CC3=C(OCO3)C3=C2C1CC1=C3C=CC=C1
|
|
| MolPort-000-716-723 |
0.97 |
[Cl-].C[NH+]1CCC2=CC3=C(OCO3)C3=C2[C@H]1CC1=C3C=CC=C1
|
|
| MolPort-009-758-260 |
0.97 |
[I-].C[N+]1(C)CCC2=CC3=C(OCO3)C3=C2[C@H]1CC1=C3C=CC=C1
|
|
| MolPort-009-757-632 |
0.97 |
Cl.CN1CCC2=CC3=C(OCO3)C3=C2[C@H]1CC1=CC=CC=C31
|
|
| MCULE-4591418192 |
0.97 |
[I-].C12=C3CC[N+](C)(C)C1CC1=CC=CC=C1C2=C1C(OCO1)=C3
|
|
| MCULE-6609025744 |
0.97 |
[Cl-].C12=C3CC[NH+](C)[C@]1([H])CC1=CC=CC=C1C2=C1C(OCO1)=C3
|
|
| MCULE-1134881865 |
0.97 |
C12=C3CC[N+](C)(C)[C@]1([H])CC1=CC=CC=C1C2=C1C(OCO1)=C3.[I-]
|
|
| MolPort-035-705-705 |
0.95 |
COC1=C(OC)C2=C(C=C1)C1=C3[C@@H](C2)N(C)CCC3=CC2=C1OCO2
|
|
| MCULE-2108726015 |
0.95 |
C12OCOC=1C1C3C=CC(OC)=C(OC)C=3C[C@@]3([H])N(C)CCC(=C2)C=13
|
|
| MCULE-3367973013 |
0.95 |
CN1C2CC3C(OC)=C(OC)C=CC=3C3=C2C(=CC2OCOC=23)CC1
|
|
| MolPort-035-705-706 |
0.94 |
COC1=CC(O)=C2C(C[C@H]3N(C)CCC4=CC5=C(OCO5)C2=C34)=C1
|
|
| MCULE-6552681879 |
0.94 |
C12OCOC=1C1C3C(O)=CC(OC)=CC=3C[C@@]3([H])N(C)CCC(=C2)C=13
|
|
| MCULE-7929193561 |
0.94 |
C12OCOC=1C1C3C=CC=C(OC)C=3C[C@@]3([H])N(C)CCC(=C2)C=13
|
|
| MCULE-6133734333 |
0.94 |
CCCN1[C@@H]2CC3C=CC4OCOC=4C=3C3=C2C(=CC=C3)CC1
|
|
| MCULE-6507424333 |
0.94 |
[H][C@@]12C3C(=CC=CC=3C3C4OCOC=4C=CC=3C1)CCN2CCC
|
|
| MolPort-035-705-704 |
0.94 |
COC1=CC=CC2=C1C[C@H]1N(C)CCC3=CC4=C(OCO4)C2=C13
|
|
| MCULE-5383176013 |
0.93 |
[H]Cl.[H][C@@]12C3C(=CC=CC=3C3C4OCOC=4C=CC=3C1)CCN2CCC
|
|
| MCULE-9563723175 |
0.93 |
Cl.CCCN1[C@@H]2CC3C=CC4OCOC=4C=3C3=C2C(=CC=C3)CC1
|
|
| MolPort-044-181-450 |
0.93 |
Cl.CCCN1CCC2=CC=CC3=C2[C@H]1CC1=C3C2=C(OCO2)C=C1
|
|
| MCULE-9197781398 |
0.92 |
C12=C3OCOC3=C(C3CCN(C)C(CC4C=C(OC)C(OC)=CC1=4)C2=3)OC
|
|
| MolPort-001-728-088 |
0.92 |
COC1=CC2=C(C=C1OC)C1=C3C(C2)N(C)CCC3=C(OC)C2=C1OCO2
|
|
| MolPort-000-699-064 |
0.91 |
[Cl-].COC1=CC2=C(C=C1OC)C1=C3C(C2)[NH+](C)CCC3=C(OC)C2=C1OCO2
|
|
| MolPort-046-681-936 |
0.91 |
Cl.COC1=CC2=C(C=C1OC)C1=C3C(C2)N(C)CCC3=C(OC)C2=C1OCO2
|
|
| MolPort-039-141-833 |
0.91 |
COC1=CC2=C(C[C@@H]3NCCC4=C(OC)C5=C(OCO5)C2=C34)C=C1O
|
|
| MolPort-021-804-578 |
0.91 |
COC1=CC2=C3C(CC4=CC(O)=C(OC)C=C4C3=C1OC)N(C)CC2
|
|
| MolPort-000-880-959 |
0.91 |
COC1=C(OC)C=C2C(C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C2=C34)=C1
|
|
| MolPort-001-728-091 |
0.91 |
COC1=C(OC)C=C2C(CC3N(C)CCC4=CC(OC)=C(OC)C2=C34)=C1
|
|
| MolPort-035-705-709 |
0.91 |
COC1=C(O)C=C2C[C@H]3C4=C(C(OC)=C(OC)C=C4CC[N+]3(C)C)C2=C1
|
|
| MolPort-003-804-060 |
0.91 |
COC1=C(O)C=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(C2=C1)=C34
|
|
| MolPort-001-728-207 |
0.91 |
COC1=C(OC)C=C2C(CC3C4=C2C(OC)=C(OC)C=C4CC[N+]3(C)C)=C1
|
|
| MCULE-9137338926 |
0.91 |
C12=C3OCOC3=C(C3CC[NH+](C)C(CC4=CC(OC)=C(OC)C=C14)C2=3)OC.[Cl-]
|
|
| MCULE-5173030581 |
0.91 |
C12OCOC=1C1C3C=C(OC)C(O)=CC=3C[C@]3([H])NCCC(=C2OC)C=13
|
|
| MCULE-6128851035 |
0.91 |
C12C3CCN(C)[C@@]1([H])CC1C(=CC(=C(OC)C=1)OC)C=2C(=C(OC)C=3)OC
|
|
| MCULE-6583767526 |
0.91 |
C1(OC)C=C2CCN(C)[C@@]3([H])CC4C=C(O)C(OC)=CC=4C(=C23)C=1OC
|
|
| MCULE-9572357326 |
0.91 |
C12=C3CCN(C)[C@H]1CC1C(=CC(=C(OC)C=1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-8072093613 |
0.91 |
C12=C3CCN(C)C1CC1C(=CC(=C(OC)C=1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-8352631027 |
0.91 |
[Cl-].C12=C3CC[NH+](C)C1CC1=C(C=C(C(OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-1554373689 |
0.91 |
Cl.C12C3CCN(C)[C@@]1([H])CC1C(=CC(=C(OC)C=1)OC)C=2C(=C(OC)C=3)OC
|
|
| MCULE-6617451493 |
0.91 |
C12C3CCN(C)[C@@]1([H])CC1=C(C=C(C(O)=C1)OC)C=2C(=C(O)C=3)OC
|
|
| MCULE-5875710476 |
0.91 |
C1(OC)C=C2CCNC3CC4C=C(O)C(OC)=CC=4C(=C23)C=1OC
|
|
| MCULE-3430077794 |
0.91 |
CN1CCC2C=C(O)C(OC)=C3C4C=C(C(=CC=4C[C@]1(C=23)[H])O)OC
|
|
| MCULE-8624388850 |
0.91 |
N1(C)CCC2=CC(O)=C(OC)C3=C2C1CC1C=C(O)C(OC)=CC=13
|
|
| MolPort-027-717-823 |
0.91 |
Cl.COC1=CC2=C(C=C1OC)C1=C3C(C2)NCCC3=C(OC)C2=C1OCO2
|
|
| MolPort-016-638-405 |
0.91 |
Cl.COC1=CC2=C(C=C1OC)C1=C3[C@H](C2)N(C)CCC3=CC(OC)=C1OC
|
|
| MolPort-000-712-291 |
0.91 |
[Cl-].COC1=C(OC)C=C2C(CC3[NH+](C)CCC4=CC(OC)=C(OC)C2=C34)=C1
|
|
| MolPort-002-325-560 |
0.91 |
Cl.COC1=C(OC)C=C2C(CC3N(C)CCC4=CC(OC)=C(OC)C2=C34)=C1
|
|
| MolPort-001-728-137 |
0.91 |
COC1=C(O)C=C2C[C@@H]3N(C)CCC4=CC(O)=C(OC)C(C2=C1)=C34
|
|
| MolPort-001-728-107 |
0.91 |
COC1=C(O)C=C2CC3N(C)CCC4=CC(O)=C(OC)C(C2=C1)=C34
|
|
| MolPort-021-804-776 |
0.91 |
COC1=CC2=C3C(CC4=CC(O)=C(OC)C=C4C3=C1OC)NCC2
|
|
| MCULE-4417868509 |
0.90 |
[Cl-].C12C3CC[NH+](C)C1CC1=C(C=C(C(O)=C1)OC)C=2C(=C(O)C=3)OC
|
|
| MCULE-1053183192 |
0.90 |
Cl.C12C3CCN(C)[C@@]1([H])CC1=C(C=C(C(O)=C1)OC)C=2C(=C(O)C=3)OC
|
|
| MCULE-6083739492 |
0.90 |
C1(OC)C=C2CCN(C)[C@]3([H])CC4C=CC=CC=4C(=C23)C=1OC
|
|
| MCULE-6921723427 |
0.90 |
CN1C2CC3C(C4=C2C(=CC(OC)=C4OC)CC1)=CC=CC=3
|
|
| MCULE-1118897167 |
0.90 |
N1[C@]2([H])C3=C(C(OC)=C(O)C=C3CC1)C1=CC(OC)=C(O)C=C1C2
|
|
| MCULE-2042789937 |
0.90 |
C12=C(OC)C(OC)=CC3CCNC(CC4C=CC(O)=CC1=4)C2=3
|
|
| MCULE-7358401737 |
0.90 |
C12C(OC)=C(C=C3CCN(C)[C@]([H])(CC4C=CC=CC1=4)C=23)OC
|
|
| MolPort-003-894-407 |
0.90 |
Cl.COC1=CC2=C(C[C@@H]3N(C)CCC4=C3C2=C(OC)C(O)=C4)C=C1O
|
|
| MolPort-000-726-839 |
0.90 |
[Cl-].COC1=C(O)C=C2CC3[NH+](C)CCC4=CC(O)=C(OC)C(C2=C1)=C34
|
|
| MolPort-039-338-413 |
0.90 |
COC1=C(OC)C2=C3[C@@H](CC4=C2C=CC=C4)[N+](C)(C)CCC3=C1
|
|
| MolPort-001-728-186 |
0.90 |
COC1=C(OC)C2=C3C(CC4=CC=CC=C24)N(C)CCC3=C1
|
|
| MolPort-000-160-612 |
0.90 |
COC1=C(OC)C2=C3C(CC4=C2C=C(O)C=C4)NCCC3=C1
|
|
| MolPort-003-811-346 |
0.90 |
COC1=C(OC)C2=C3[C@@H](CC4=CC=CC=C24)N(C)CCC3=C1
|
|
| MolPort-016-638-487 |
0.90 |
COC1=CC2=C(C[C@@H]3NCCC4=CC(O)=C(OC)C2=C34)C=C1O
|
|
| MolPort-046-417-459 |
0.89 |
Cl.COC1=CC2=C(C[C@@H]3NCCC4=C3C2=C(OC)C(O)=C4)C=C1O
|
|
| MolPort-044-723-196 |
0.89 |
COC1=C(OC)C2=C3[C@@H](CC4=C2C=CC=C4)NCCC3=C1
|
|
| MCULE-9656302194 |
0.89 |
[H]Cl.N1[C@]2([H])C3=C(C(OC)=C(O)C=C3CC1)C1=CC(OC)=C(O)C=C1C2
|
|
| MCULE-3394665269 |
0.89 |
C1(OC)C=C2CCN[C@]3([H])CC4C=CC=CC=4C(=C23)C=1OC
|
|
| MCULE-3909110452 |
0.89 |
C12OCOC=1C1C3C(OC)=C(OC)C=CC=3C[C@]3([H])NCCC(=C2OC)C=13
|
|
| MolPort-039-338-426 |
0.89 |
COC1=C(OC)C2=C(C[C@@H]3NCCC4=C(OC)C5=C(OCO5)C2=C34)C=C1
|
|
| MolPort-046-158-431 |
0.88 |
COC1=C(O)C=C2CCN(C)[C@@H]3CC4=C(C=CC=C4)C1=C23
|
|
| MCULE-8207543011 |
0.88 |
C1(=C(C2C3C(OC)=C(O)C=CC=3C[C@@]3([H])C=2C(CCN3C)=C1)OC)OC
|
|
| MCULE-6883632748 |
0.88 |
C1(O)C=C2CCN(C)[C@@]3([H])CC4C=CC(OC)=C(OC)C=4C(=C23)C=1OC
|
|
| MCULE-9932522077 |
0.88 |
N1(C)CCC2C=C(OC)C(OC)=C3C4C(O)=C(OC)C=CC=4C[C@@]1([H])C3=2
|
|
| MCULE-2587470605 |
0.88 |
C12C3CCN(C)C1([H])CC1C(=C(O)C(=CC=1)OC)C=2C(=C(OC)C=3)OC
|
|
| MCULE-7932025351 |
0.88 |
C12C3([H])CC4C=C(O)C(OC)=CC=4C=1C(O)=C(OC)C=C2CCN3C
|
|
| MolPort-001-728-104 |
0.88 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(=C34)C2=C1O
|
|
| MolPort-005-944-804 |
0.88 |
COC1=CC2=C3[C@H](CC4=C(C(OC)=C(O)C=C4)C3=C1OC)N(C)CC2
|
|
| MolPort-035-705-707 |
0.88 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(O)=C(OC)C(=C34)C2=C1OC
|
|
| MolPort-001-728-159 |
0.88 |
COC1=CC2=C3C(CC4=C(C(O)=C(OC)C=C4)C3=C1OC)N(C)CC2
|
|
| MolPort-004-955-365 |
0.88 |
COC1=CC2=C(C[C@@H]3N(C)CCC4=CC(OC)=C(O)C2=C34)C=C1O
|
|
| MolPort-044-726-717 |
0.88 |
COC1=C(O)C=C2CCN[C@@H]3CC4=CC=CC=C4C1=C23
|
|
| MolPort-039-052-582 |
0.88 |
COC1=CC2=C(C[C@H]3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)C=C1O
|
|
| MolPort-000-831-954 |
0.87 |
Cl.COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(=C34)C2=C1O
|
|
| MolPort-035-705-708 |
0.87 |
COC1=C(O)C2=C(C[C@@H]3N(C)CCC4=CC(O)=C(OC)C2=C34)C=C1
|
|
| MolPort-000-881-669 |
0.87 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(O)C(=C34)C2=C1OC
|
|
| MolPort-005-944-803 |
0.87 |
COC1=C(OC)C2=C3[C@H](CC4=CC=C(O)C(OC)=C24)NCCC3=C1
|
|
| MolPort-001-742-663 |
0.87 |
COC1=CC2=C3C(CC4=C(C(OC)=C(OC)C=C4)C3=C1O)N(C)CC2
|
|
| MCULE-7075000444 |
0.87 |
Cl.C12C3CCN(C)C1([H])CC1C(=C(O)C(=CC=1)OC)C=2C(=C(OC)C=3)OC
|
|
| MCULE-1570854987 |
0.87 |
C1(O)C=C2CCN(C)[C@@]3([H])CC4C=CC(OC)=C(O)C=4C(=C23)C=1OC
|
|
| MCULE-9044290951 |
0.87 |
C12C3CCN(C)[C@@]1([H])CC1=C(C(OC)=C(C=C1)OC)C=2C(=C(OC)C=3)O
|
|
| MCULE-7112941758 |
0.87 |
C1(C(OC)=C2C(C[C@]3([H])NCCC4=CC(OC)=C(OC)C2=C43)=CC=1)O
|
|
| MCULE-4394754071 |
0.87 |
N1(C)CCC2C=C(OC)C(O)=C3C4C(OC)=C(OC)C=CC=4C[C@@]1([H])C3=2
|
|
| MCULE-2539231400 |
0.87 |
C1CN(C)C2C3C(=C(O)C(OC)=CC1=3)C1C(OC)=C(OC)C=CC=1C2
|
|
| MCULE-9989636562 |
0.87 |
COC1C=C2C3C(NCC2)CC2C(C=3C=1O)=CC(OC)=C(O)C=2
|
|
| MCULE-2394197501 |
0.87 |
C12C=C(OC)C(=CC=1C[C@]1([H])NCCC3C=C(OC)C(O)=C2C1=3)O
|
|
| MCULE-5858758048 |
0.87 |
C1(OC)C=C2CCN[C@@]3([H])CC4C=C(O)C(OC)=CC=4C(=C23)C=1O
|
|
| MCULE-1863186132 |
0.87 |
Cl.C12C3CCN(C)[C@@]1([H])CC1=C(C(OC)=C(C=C1)OC)C=2C(=C(OC)C=3)O
|
|
| MCULE-3358506709 |
0.87 |
C12C3CC[N+](C)(C)C1CC1=CC=CC(OC)=C1C=2C(=C(OC)C=3)O
|
|
| MCULE-8910371884 |
0.87 |
C12C3CC[N+](C)(C)[C@@]1([H])CC1=CC=CC(OC)=C1C=2C(=C(OC)C=3)O
|
|
| MolPort-019-879-464 |
0.87 |
COC1=CC2=C(C[C@@H]3NCCC4=CC(OC)=C(O)C2=C34)C=C1O
|
|
| MolPort-009-758-319 |
0.87 |
Cl.COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(O)C(=C34)C2=C1OC
|
|
| MolPort-001-728-113 |
0.87 |
COC1=CC=CC2=C1C1=C3C(C2)[N+](C)(C)CCC3=CC(OC)=C1O
|
|
| MolPort-046-509-032 |
0.86 |
COC1=C(O)C2=C3[C@H](CC4=C2C=CC=C4)N(C)CCC3=C1
|
|
| MCULE-3363541969 |
0.86 |
C1(OC)C=C2CCN(C)[C@@]3([H])CC4C=CC=CC=4C(=C23)C=1O
|
|
| MCULE-3643008530 |
0.86 |
C12C3CC[N+](C)(C)C1CC1=CC=CC(OC)=C1C=2C(=C(OC)C=3)O.[I-]
|
|
| MCULE-9922987842 |
0.86 |
C12C3CC[N+](C)(C)[C@@]1([H])CC1=CC=CC(OC)=C1C=2C(=C(OC)C=3)O.[I-]
|
|
| MolPort-009-758-341 |
0.86 |
[I-].COC1=CC=CC2=C1C1=C3[C@H](C2)[N+](C)(C)CCC3=CC(OC)=C1O
|
|
| MolPort-000-745-331 |
0.86 |
[I-].COC1=CC=CC2=C1C1=C3C(C2)[N+](C)(C)CCC3=CC(OC)=C1O
|
|
| MolPort-001-728-108 |
0.85 |
COC1=CC=C2CC3C4=C(C(O)=C(OC)C=C4CC[N+]3(C)C)C2=C1O
|
|
| MolPort-000-880-958 |
0.85 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(O)C(=C34)C2=C1O
|
|
| MolPort-001-728-145 |
0.85 |
COC1=CC=C2C[C@H]3C4=C(C(O)=C(OC)C=C4CC[N+]3(C)C)C2=C1O
|
|
| MCULE-3009726695 |
0.85 |
N1(C)CCC2C=C(OC)C(O)=C3C4C(O)=C(OC)C=CC=4C[C@@]1([H])C3=2
|
|
| MCULE-4808865683 |
0.85 |
C12=C3CC[N+](C)(C)C1CC1C(=C(O)C(=CC=1)OC)C2=C(C(OC)=C3)O
|
|
| MCULE-8641817258 |
0.85 |
C1(OC)C=C2CC[N+](C)(C)[C@]3([H])C2=C(C2C(O)=C(OC)C=CC=2C3)C=1O
|
|
| MolPort-006-069-296 |
0.84 |
[I-].COC1=C(O)C2=C(C[C@H]3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)C=C1
|
|
| MolPort-046-594-322 |
0.84 |
[Cl-].COC1=C(O)C2=C(CC3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)C=C1
|
|
| MolPort-039-338-202 |
0.84 |
[Cl-].COC1=C(O)C2=C(C[C@H]3C4=C2C(O)=C(OC)C=C4CC[N+]3(C)C)C=C1
|
|
| MolPort-000-741-480 |
0.84 |
[I-].COC1=CC=C2CC3C4=C(C(O)=C(OC)C=C4CC[N+]3(C)C)C2=C1O
|
|
| MCULE-4392500028 |
0.84 |
C12C3C=C(C(OC)=CC=3CC3([H])N(CCC(C3=1)=C(C(=C2OC)OC)CN)C)OC
|
|
| MCULE-6318212670 |
0.84 |
[Cl-].C1(OC)C=C2CC[N+](C)(C)[C@]3([H])C2=C(C2C(O)=C(OC)C=CC=2C3)C=1O
|
|
| MCULE-4856749399 |
0.84 |
C12=C3CC[N+](C)(C)C1CC1C(=C(O)C(=CC=1)OC)C2=C(C(OC)=C3)O.[I-]
|
|
| MCULE-9116332977 |
0.84 |
[Cl-].C[N+]1(C)C2CC3C=CC(OC)=C(O)C=3C3=C2C(=CC(OC)=C3O)CC1
|
|
| MCULE-3286533688 |
0.84 |
C1(OC)C=C2CC[N+](C)(C)[C@]3([H])C2=C(C2C(O)=C(OC)C=CC=2C3)C=1O.[I-]
|
|
| MolPort-005-944-802 |
0.83 |
COC1=C(O)C=C2C[C@H]3C4=C(C(OC)=C(OC)C=C4CC[N+]3(C)[O-])C2=C1
|
|
| MCULE-2819063450 |
0.81 |
C12=C3C(=C(OC)C(CO)=C1CCN(C2CC1=C3C=C(OC)C(OC)=C1)C)OC
|
|
| MCULE-9984563750 |
0.81 |
C12=C3C(=C(OC)C(Br)=C1CCN(C2CC1=C3C=C(OC)C(OC)=C1)C)OC
|
|
| MCULE-7091639683 |
0.81 |
C12C3CCN(C(C)=O)C1CC1=C(C=C(C=C1)OC(C)=O)C=2C(=C(OC)C=3)OC
|
|
| MolPort-001-910-168 |
0.81 |
COC1=C(OC)C2=C3C(CC4=CC=C(OC(C)=O)C=C24)N(CCC3=C1)C(C)=O
|
|
| MCULE-7113902848 |
0.79 |
C12C3C=C(OC)C(OC)=CC=3CC3([H])N(CCC(C3=1)=C(C(=C2OC)OC)N)C
|
|
| MCULE-9279127888 |
0.79 |
C12C(OC)=C(C(C=O)=C3CCN(C)C(CC4C=C(OC)C(OC)=CC1=4)([H])C=23)OC
|
|
| MolPort-001-728-093 |
0.77 |
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
|
|
| MCULE-4841277550 |
0.77 |
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-8602017791 |
0.77 |
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 |
0.77 |
[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-7839566309 |
0.77 |
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
|
|
| MolPort-000-725-509 |
0.77 |
[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-009-758-369 |
0.77 |
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-004-828-866 |
0.76 |
CN1CCC2=CC=CC3=C2C1CC1=C3C(O)=C(O)C=C1
|
|
| MolPort-002-507-063 |
0.76 |
CN1CCC2=CC=CC3=C2[C@@H]1CC1=C3C(O)=C(O)C=C1
|
|
| MCULE-3200317958 |
0.76 |
[C@@]12([H])N(C)CCC3=CC=CC(C4=C(C(O)=CC=C4C1)O)=C23
|
|
| MCULE-9473570372 |
0.76 |
C12N(C)CCC3=CC=CC(C4C(=C(O)C=CC=4C1)O)=C23
|
|
| MCULE-5394188233 |
0.76 |
[C@H]12N(C)CCC3=CC=CC(C4C(=C(O)C=CC=4C1)O)=C23
|
|
| MCULE-5249160798 |
0.76 |
OC1C(O)=C2C3C=CC=C4CCN([C@@](CC2=CC=1)([H])C=34)C
|
|
| MCULE-3573223658 |
0.76 |
[C@]12([H])N(C)CCC3=CC=CC(C4=C(C(O)=CC=C4C1)O)=C23
|
|
| MCULE-5478345605 |
0.76 |
Cl.[C@]12([H])N(C)CCC3=CC=CC(C4=C(C(O)=CC=C4C1)O)=C23
|
|
| MCULE-8376542514 |
0.76 |
[H]Cl.OC1C(O)=C2C3C=CC=C4CCN([C@@](CC2=CC=1)([H])C=34)C
|
|
| MCULE-8211653897 |
0.76 |
[H]Cl.OC1C(O)=C2C3C=CC=C4CCN([C@](CC2=CC=1)([H])C=34)C
|
|
| MCULE-1576765478 |
0.76 |
Cl.[C@@]12([H])N(C)CCC3=CC=CC(C4=C(C(O)=CC=C4C1)O)=C23
|
|
| MCULE-2927606507 |
0.76 |
C12N(C)CCC3=CC=CC(C4C(=C(O)C=CC=4C1)O)=C23.Cl[H]
|
|
| MolPort-003-983-404 |
0.76 |
Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1
|
|
| MolPort-003-930-972 |
0.76 |
O.Cl.Cl.CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O)C(O)=C31.CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O)C(O)=C31
|
|
| MolPort-000-730-654 |
0.76 |
O.[Cl-].C[NH+]1CCC2=CC=CC3=C2[C@@H]1CC1=C3C(O)=C(O)C=C1
|
|
| MolPort-042-665-656 |
0.76 |
Br.CCCN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O)C=C1
|
|
| MolPort-046-688-634 |
0.76 |
Cl.[2H]C1=C([2H])C2=C3[C@@H](CC4=C2C(O)=C(O)C([2H])=C4[2H])N(C)CCC3=C1[2H]
|
|
| MolPort-039-098-334 |
0.76 |
Cl.CN1CCC2=CC=CC3=C2[C@@H]1CC1=C3C(O)=C(O)C=C1
|
|
| MolPort-042-665-655 |
0.75 |
Br.OC1=C(O)C2=C(C[C@H]3NCCC4=CC=CC2=C34)C=C1
|
|
| MolPort-000-840-202 |
0.75 |
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-009-758-638 |
0.75 |
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
|
|
| MCULE-4484166424 |
0.74 |
[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-8925829552 |
0.73 |
[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-6576073593 |
0.71 |
C1(=CC(CC2NCCC3=C2C=C(C(OC)=C3)OC)=CC=C1O)C1=CC(CC2NCCC3=C2C=C(C(OC)=C3)OC)=CC=C1O
|
|
| MCULE-5584715615 |
0.71 |
C12C3CC4=C(C=C(OC)C(OC)=C4)C=1C(=C(OC)C(N(=O)=O)=C2CCN3C)OC
|
|
| MCULE-5656969981 |
0.70 |
C1C(OC)=C(OC)C=C2C=1CCN1CC3C4OCOC=4C=CC=3[C@H](C)[C@]21[H]
|
|
| MCULE-7411451677 |
0.70 |
C1(OC)C=C2CCN3CC4C5OCOC=5C=CC=4CC3C2=CC=1OC
|
|
| MCULE-7333655552 |
0.70 |
C1(=C(C=CC2CC3C4=C(C=CC=C4C1=2)CCN3C)OC(=O)C1=CC=C(C=C1)C)OC(=O)C1C=CC(=CC=1)C
|
|
| MolPort-039-339-180 |
0.70 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C1=C(OCO1)C=C4
|
|
| MolPort-007-549-950 |
0.70 |
CN1CCC2=CC=CC3=C2C1CC1=CC=C(OC(=O)C2=CC=C(C)C=C2)C(OC(=O)C2=CC=C(C)C=C2)=C31
|
|
| MolPort-001-728-092 |
0.69 |
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-003-873-294 |
0.69 |
C1OC2=CC=C3CC4N(CCC5=CC6=C(OCO6)C=C45)CC3=C2O1
|
|
| MolPort-046-153-801 |
0.69 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC1=C4OCO1
|
|
| MolPort-000-882-001 |
0.69 |
C1OC2=CC3=C(C=C2O1)[C@H]1CC2=CC=C4OCOC4=C2CN1CC3
|
|
| MCULE-6535474606 |
0.69 |
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-2672487896 |
0.69 |
C1(O)C=C2CCN3CC4C5OCOC=5C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-6929884363 |
0.69 |
C1C2OCOC=2C2=C(CC3C4=C(C=C5C(OCO5)=C4)CCN3C2)C=1
|
|
| MCULE-5248252030 |
0.69 |
C12OCOC=1C=C1[C@@]3([H])CC4C=CC5OCOC=5C=4CN3CCC1=C2
|
|
| MCULE-1345795589 |
0.69 |
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-1083665298 |
0.69 |
[C@H]1(CC2=CC=C(OC)C(OC)=C2)C2=C(C=C3OCOC3=C2)CCN1
|
|
| MCULE-1700843511 |
0.69 |
N12CCC3=C(C=C4C(OCO4)=C3)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3875114127 |
0.69 |
N12CCC3C(=CC4=C(OCO4)C=3)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6909489981 |
0.69 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3540014010 |
0.69 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MolPort-046-684-160 |
0.69 |
[Cl-].C1OC2=CC3=C(C=C2O1)[C@@H]1CC2=C(C[NH+]1CC3)C1=C(OCO1)C=C2
|
|
| MolPort-046-680-186 |
0.69 |
[2H]C1N2CCC3=C(C=C4OCOC4=C3)C2([2H])C([2H])C2=CC=C(OC)C(OC)=C12
|
|
| MolPort-001-728-139 |
0.69 |
COC1=C(OC)C2=C(C[C@H]3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-035-705-719 |
0.69 |
COC1=CC=C2C[C@@H]3N(CCC4=C3C=C3OCOC3=C4)CC2=C1OC
|
|
| MolPort-001-728-057 |
0.69 |
COC1=C(OC)C2=C(CC3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-046-763-412 |
0.68 |
Cl.COC1=C(OC)C2=C(CC3N(CCC4=C3C=C3OCOC3=C4)C2)C=C1
|
|
| MolPort-000-736-374 |
0.67 |
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-009-757-490 |
0.67 |
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
|
|
| MCULE-2840940911 |
0.67 |
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-4172130366 |
0.67 |
[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-4042690278 |
0.67 |
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-3731584988 |
0.67 |
C1(=CC=CC=C1)CC1C2C(OC)=C(OC)C=CC=2CC2N1CCC1C2=CC2OCOC=2C=1
|
|
| MCULE-3742810409 |
0.66 |
C1(C2C(O)=C(OC)C=C3CN(C(C)=O)CCC=23)=C(O)C(OC)=C(C)C2C(N(C(C)=O)CCC1=2)C
|
|
| MCULE-1476941373 |
0.66 |
N1(C(C)=O)CCC2C(=CC(=C(OC)C=2)OC)C1CC1C=CC(OC(C)=O)=C(C2C=C(CC3C4=CC(OC)=C(C=C4CCN3C(C)=O)OC)C=CC=2OC(C)=O)C=1
|
|
| MCULE-5109691709 |
0.66 |
C12C3=CC=CC=C3CCN(C)CC1=CC=C(OC)C=2O
|
|
| MCULE-6001791044 |
0.66 |
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
|
|
| MolPort-009-653-421 |
0.65 |
Cl.COC1=C(O)C2=C(CN(C)CCC3=C2C=CC=C3)C=C1
|
|
| MolPort-046-762-434 |
0.65 |
C[N+]12CCC3=C(C1CC1=CC=C4OCOC4=C1C2)C(O)=C1OCOC1=C3
|
|
| MCULE-1218899748 |
0.65 |
C12C3=CC=CC=C3CCN(C)CC1=CC=C(OC)C=2O.Cl
|
|
| MCULE-1404654898 |
0.65 |
C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-5022763601 |
0.64 |
Cl.C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-6984095713 |
0.64 |
C1(C(OC(C)=O)=C(OC)C=C2C=1CN(CC2)C(C)=O)C1C(OC(C)=O)=C(OC)C=C2C=1CN(CC2)C(C)=O
|
|
| MCULE-1603862294 |
0.64 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(=CC=1)O)OC
|
|
| MCULE-1703608488 |
0.64 |
C1(OC)C=C2C(CC3=CC(OC)=C(OC)C=C3)N(C)CCC2=CC=1OC
|
|
| MCULE-5044903349 |
0.64 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-]
|
|
| MCULE-9824379461 |
0.64 |
C12C=C(OC)C(=CC=1CCN(C)[C@H]2CC1=CC=C(C(OC)=C1)OC)OC
|
|
| MCULE-7558810534 |
0.64 |
[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-2591645144 |
0.64 |
COC1C(OC)=CC2=C(CCN([C@@H]2CC2=CC=C(O)C=C2)C)C=1
|
|
| MCULE-2724982116 |
0.64 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C(O)=C1)OC)OC
|
|
| MCULE-7667495210 |
0.64 |
C12C=C(OC)C(=CC=1CCN(C)[C@]2([H])CC1C=CC(=CC=1)O)OC
|
|
| MCULE-1232528834 |
0.64 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MolPort-000-881-248 |
0.64 |
COC1=CC=C(C[C@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1O
|
|
| MolPort-001-728-132 |
0.64 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C=C1)N(C)CC2
|
|
| MolPort-001-728-096 |
0.64 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(O)C=C1)N(C)CC2
|
|
| MolPort-001-728-151 |
0.64 |
COC1=CC=C(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-728-116 |
0.64 |
COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-800-513 |
0.63 |
COC1=C2C(CC3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-169 |
0.63 |
I.COC1=C(OC)C=C2[C@@H](CC3=CC=C([O-])C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-000-731-845 |
0.63 |
[I-].COC1=C(OC)C=C2C(CC3=CC=C(O)C=C3)[N+](C)(C)CCC2=C1
|
|
| MCULE-9162219244 |
0.63 |
N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-8212608565 |
0.63 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1=CC(=C(O)C=C1C2)O
|
|
| MCULE-7120454480 |
0.63 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-6345887730 |
0.63 |
[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-6943816006 |
0.63 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-].I
|
|
| MCULE-7716398349 |
0.63 |
[I-].[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-3362777972 |
0.63 |
[I-].[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-5600894184 |
0.63 |
Cl.N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-3775135762 |
0.63 |
C12=CC(=C(O)C=C1CCN(C)C2CC1=CC=C(OC)C(OC)=C1)O
|
|
| MCULE-7839551618 |
0.63 |
[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-6211989689 |
0.63 |
C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-8291298220 |
0.63 |
N12CC3=CC(OC)=C(C=C3CC1C1C(CC2)=CC(OC)=C(O)C=1)O
|
|
| MCULE-2870382656 |
0.63 |
C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MolPort-001-728-064 |
0.63 |
COC1=CC=C(CC2N(C)CCC3=C2C=C(O)C(O)=C3)C=C1OC
|
|
| MolPort-046-765-755 |
0.63 |
CN1CCC2=CC=CC3=C2[C@H]1CC1=C3C(O)=C(O[C@@H]2OC([C@H](O)C(O)C2O)C(O)=O)C=C1
|
|
| MolPort-000-756-471 |
0.63 |
[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-046-594-389 |
0.63 |
COC1=C(O)C=C2CC3C4=CC(O)=C(OC)C=C4CC[N+]3(C)CC2=C1
|
|
| MolPort-023-220-751 |
0.63 |
COC1=CC2=C(C[C@H]3C4=CC(O)=C(OC)C=C4CC[N+]3(C)C2)C=C1O
|
|
| MolPort-005-135-624 |
0.63 |
OC1=CC=C(C=C1CN1CCC2=CC=CC=C2C1)C1=CC=C2OCOC2=C1
|
|
| MolPort-001-728-114 |
0.63 |
COC1=C2C(C3C4=C(C=CC=C4)C4=C3C=C(C=C4)C(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-882-010 |
0.62 |
COC1=C(O)C=C2CCN3CC4=C(C[C@@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-001-728-103 |
0.62 |
COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-487-312 |
0.62 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-881-202 |
0.62 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
|
|
| MolPort-001-728-102 |
0.62 |
COC1=C(OC)C=C2C3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-046-793-339 |
0.62 |
O[C@H]1[C@@H](O)[C@H](OC2=CC=C3CC4NCCC5=CC=CC(=C45)C3=C2O)O[C@@H]([C@H]1O)C(O)=O
|
|
| MolPort-001-728-168 |
0.62 |
COC1=CC2=C(C=C1OC)C1C(C)C3=CC=C(OC)C(OC)=C3CN1CC2
|
|
| MolPort-046-790-508 |
0.62 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-044-649-467 |
0.62 |
COC1=CC2=C(CCN3CC4=C(CC23)C=CC(OC)=C4OC)C=C1O
|
|
| MolPort-039-052-634 |
0.62 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-039-052-373 |
0.62 |
COC1=C(OC)C=C2[C@H]3C(C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-001-740-784 |
0.62 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-023-332-930 |
0.62 |
COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(O)C=C34)CC2=C1OC
|
|
| MolPort-019-996-257 |
0.62 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
|
|
| MolPort-027-720-900 |
0.62 |
[Cl-].COC1=CC2=C(C=C1O)[C@@H]1CC3=CC(O)=C(OC)C=C3C[N+]1(C)CC2
|
|
| MolPort-005-981-212 |
0.62 |
COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(O)C(OC)=C3)C=C1O
|
|
| MolPort-046-158-432 |
0.62 |
COC1=C(OC)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-042-682-691 |
0.62 |
COC1=C(O)C=C(C[C@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1
|
|
| MolPort-039-338-460 |
0.62 |
COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-002-711-488 |
0.62 |
COC1=CC=C(CC2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-005-932-651 |
0.62 |
COC1=CC=C(C[C@H]2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-046-158-434 |
0.62 |
COC1=C(O)C=C2[C@@H](CC3=CC=C(O)C=C3)N(C)CCC2=C1
|
|
| MCULE-1935763935 |
0.62 |
COC1C(O)=CC2=C(C3N(CC2)CC2C(=CC=C(C=2OC)OC)C3)C=1
|
|
| MCULE-1407847664 |
0.62 |
[Cl-].C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MCULE-7256042540 |
0.62 |
[Cl-].C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-1367303166 |
0.62 |
C1(OC)C=C2CCN(C)[C@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-4925299859 |
0.62 |
C12CCNC(CC3C=CC(OC)=C(OC)C=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-4953302730 |
0.62 |
C1(OC)C=C2CCN(C)[C@@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-1347832392 |
0.62 |
C1(CC2C3=CC(OC)=C(OC)C=C3CCN2)C=CC=CC=1
|
|
| MCULE-7127931962 |
0.62 |
C12C=C(C(OC)=CC=1CCN[C@@H]2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MCULE-7318164196 |
0.62 |
O1COC2C1=CC1CCN(C)CC3C4=C(C=CC=3CC(O)C=1C=2)OCO4
|
|
| MCULE-1663051633 |
0.62 |
[C@@]12([H])CC3=C(C(O)=C(OC)C=C3)CN1CCC1C=C(OC)C(O)=CC2=1
|
|
| MCULE-8620597365 |
0.62 |
C1(OC)C(OC)=CC2C(CC3C=CC=CC=3)[NH2+]C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-7327694142 |
0.62 |
C1C2C=C(OC)C(OC)=CC=2C2NC1C1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-7006385138 |
0.62 |
Cl.C12C=C(OC)C(OC)=CC=1C1CC3C=CC(OC)=C(OC)C=3CN1CC2
|
|
| MCULE-7464134414 |
0.62 |
[NH+]12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2.[Cl-]
|
|
| MCULE-9495472668 |
0.62 |
[I-].[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-9246797226 |
0.62 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC
|
|
| MCULE-7262967184 |
0.62 |
C1(C2C=CC3=C(OCO3)C=2)=NNC=C1CNCC1CC2=CC=CC=C2CN1C
|
|
| MCULE-1092485874 |
0.62 |
Br.C12=C(CCNC1CC1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OC
|
|
| MCULE-1200373525 |
0.62 |
I.C12C(CCNC1CC1=CC=C(C(OC)=C1)OC)=CC(=C(OC)C=2)OC
|
|
| MCULE-1380409514 |
0.62 |
Cl.C12CCNC(CC3C=CC(OC)=C(OC)C=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1856051680 |
0.62 |
Cl.C12C=C(C(OC)=CC=1CCN[C@@H]2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MCULE-2090153246 |
0.62 |
C1(C(O)=CC=C(C2=CC=C3C(OCO3)=C2)C=1)CN1CCC2C(=CC=CC=2)C1
|
|
| MCULE-7463631898 |
0.62 |
C12C=C(OC)C(=CC=1CC(NC2CC1C=CC=CC=1)(C)C)OC
|
|
| MCULE-4606179260 |
0.62 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1C)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-5827277495 |
0.62 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-9945463658 |
0.62 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@]3([H])C2=CC=1OC
|
|
| MCULE-1328768112 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9155587841 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6042650831 |
0.62 |
C1(C=C2CCN3[C@@]([H])(C2=CC=1OC)[C@@H](C)C1C=CC(OC)=C(OC)C=1C3)OC
|
|
| MCULE-9590328189 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9823434055 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@]1([H])CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-5343199995 |
0.62 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-2739186472 |
0.62 |
C1(OC)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-3987199342 |
0.62 |
C12C([C@]3([H])CC4=CC=C(OC)C(OC)=C4CN3CC1)=CC(O)=C(OC)C=2
|
|
| MCULE-8349247867 |
0.62 |
[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-9943627177 |
0.62 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-6675093805 |
0.62 |
N12CCC3C=C(OC)C(OC)=CC=3C1C(C)C1C=CC(OC)=C(OC)C=1C2
|
|
| MolPort-046-153-752 |
0.62 |
COC1=C(O)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(O)=C(OC)C=C4
|
|
| MolPort-044-722-868 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC=CC=C1)NC(C)(C)C2
|
|
| MolPort-009-653-440 |
0.62 |
Cl.COC1=C(OC)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-009-757-742 |
0.62 |
Cl.COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-002-321-247 |
0.62 |
Cl.COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-697-827 |
0.62 |
[Cl-].COC1=C(OC)C=C2[C@H]3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-005-044-960 |
0.62 |
CN1CC2=C(CC1CNCC1=CNN=C1C1=CC3=C(OCO3)C=C1)C=CC=C2
|
|
| MolPort-046-690-082 |
0.62 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-046-690-894 |
0.62 |
Cl.COC1=C(O)C=C(C[C@@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1
|
|
| MolPort-038-384-918 |
0.62 |
Cl.COC1=CC=C(C[C@@H]2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-001-770-233 |
0.62 |
Cl.COC1=CC=C(CC2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-500-281 |
0.62 |
Cl.COC1=CC=C(C[C@H]2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-044-560-957 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C(OC)=C1)N(C)CC2
|
|
| MCULE-6852566251 |
0.61 |
C1C2C=C(OC)C(OC)=CC=2C2NC1C1C=C(OC)C(OC)=CC=1C2.Cl
|
|
| MCULE-7826072892 |
0.61 |
C12CN(C)CCC3C=C4C(OCO4)=CC=3C(O)CC=1C=CC(OC)=C2OC
|
|
| MCULE-1195280672 |
0.61 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-4873311240 |
0.61 |
C12CN(CCC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-4071188423 |
0.61 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC.Cl
|
|
| MCULE-2324799254 |
0.61 |
C12=CC(OC)=C(C=C1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC
|
|
| MCULE-7429300053 |
0.61 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2.Cl
|
|
| MCULE-3680491471 |
0.61 |
Cl.C12CN(CCC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-8555442596 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC2=C(OCO2)C=1
|
|
| MCULE-5347617329 |
0.61 |
OC1C(OC)=CC2CCN3CC4C(=C(C=CC=4C[C@@]3([H])C=2C=1)O)OC
|
|
| MCULE-6361134516 |
0.61 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-5295622555 |
0.61 |
C1(OC)C=C2CCN[C@@]([H])(CC3C=CC(O)=CC=3)C2=CC=1O
|
|
| MCULE-3663996316 |
0.61 |
C12CN(CC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-4658305685 |
0.61 |
N1(C(C)(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-7933982800 |
0.61 |
N1(C(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-4908172299 |
0.61 |
C12C(CCNC1CC1C=CC(=C(OCC)C=1)OCC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-9302373606 |
0.61 |
C1(C(=CC2C(CC3C=C(OC)C(OC)=CC=3)N(C(=S)NC)CCC=2C=1)OC)OC
|
|
| MCULE-1332002863 |
0.61 |
CN1C(CO)CC2C(=CC=C3C=2OCO3)C1
|
|
| MCULE-6364046225 |
0.61 |
C12=CC3OCOC=3C=C1CCN(C)CC1=CC(OC)=C(OC)C=C1CC2=O
|
|
| MolPort-001-728-067 |
0.61 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2
|
|
| MolPort-009-758-234 |
0.61 |
[Br-].COC(=O)C[N+]1(C)CCC2=CC(OC)=C(OC)C=C2C1CC1=CC=C(O)C=C1
|
|
| MolPort-044-721-769 |
0.61 |
COC1=C(OC)C=C2CN(CC3=CC=C4OCOC4=C3)CCC2=C1
|
|
| MolPort-020-005-719 |
0.61 |
COC1=CC2=C(C=C1O)[C@@H]1CC3=CC=C(O)C(OC)=C3CN1CC2
|
|
| MolPort-003-850-289 |
0.61 |
COC1=C(O)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-019-904-720 |
0.61 |
COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-002-464-738 |
0.61 |
CCOC1=CC=C(CC2NCCC3=CC(OCC)=C(OCC)C=C23)C=C1OCC
|
|
| MolPort-008-383-448 |
0.60 |
COC1=CC2=C(CC(=O)C3=C(CCN(C)C2)C=C2OCOC2=C3)C=C1OC
|
|
| MolPort-046-594-384 |
0.60 |
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-020-005-910 |
0.60 |
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-020-005-909 |
0.60 |
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
|
|
| MolPort-039-052-321 |
0.60 |
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-001-742-769 |
0.60 |
COC1=C(OC)C=C2C(CCN(C)CC3=C(CC2=O)C=CC2=C3OCO2)=C1
|
|
| MolPort-035-705-715 |
0.60 |
COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1O
|
|
| MolPort-046-763-411 |
0.60 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)NCCC2=C1
|
|
| MolPort-046-763-847 |
0.60 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-035-705-718 |
0.60 |
C[N+]12CCC3=C(C=C4OCOC4=C3)C1(O)CC1=C(C2)C2=C(OCO2)C=C1
|
|
| MCULE-8356205204 |
0.60 |
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
|
|
| MCULE-9710337094 |
0.60 |
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-4708681685 |
0.60 |
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-5928389662 |
0.60 |
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-7949916991 |
0.60 |
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-4656622603 |
0.60 |
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-3934803914 |
0.60 |
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-6845267239 |
0.60 |
C1(CC2=CC(OC)=C(OC)C(OC)=C2)C2=C(C=C(OC)C(OC)=C2)CCN1
|
|
| 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-4680595689 |
0.60 |
C12CN(C)CCC3C(=CC(=C(OC)C=3)OC)C(=O)CC=1C=CC1OCOC2=1
|
|
| MCULE-3042608614 |
0.60 |
Cl.N1(C(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-8947407209 |
0.60 |
C12C=C(OC)C(=CC=1CC(C)(C)NC2C(C)C)OC
|
|
| MCULE-1096354115 |
0.60 |
Cl.C12CN(CC)CCC1=CC1OCOC=1C=2
|
|
| MCULE-5921196406 |
0.60 |
Cl.N1(C(C)(C)C)CCC2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-1567383135 |
0.60 |
Cl.C12C(CCNC1CC1=CC=C(C(OCC)=C1)OCC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-7055943558 |
0.60 |
C1(C(=CC2C(N(C(=S)NCC3C=CC=CC=3)CCC=2C=1)CC1=CC=C(OC)C(OC)=C1)OC)OC
|
|
| MCULE-5161455012 |
0.60 |
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
|
|
| MCULE-2865552640 |
0.60 |
C12OCOC=1C=C1C(=O)CC3C=C4OCOC4=CC=3CN(C)CCC1=C2
|
|
| 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-3358675822 |
0.60 |
N1(CCC2C(=CC(=C(OC)C=2)OC)C1CC1=CC=C(C(OC)=C1)OC)C(C)=O
|
|
| MCULE-5732311573 |
0.60 |
C12C(CC)N(C)CCC1=CC(OC)=C(O)C=2
|
|
| MCULE-3541700834 |
0.60 |
N1(C)CCC2C(=CC3=C(OCO3)C=2)C1
|
|
| MCULE-1313997148 |
0.60 |
C1(OC)C(OC)=CC2C(NCCC=2C=1)CC
|
|
| MCULE-5136750602 |
0.60 |
C12=C(CCNC1C(C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-7447617521 |
0.60 |
C1(OC)C(OC)=CC2C(C(C)C)[NH2+]C(C)(C)CC=2C=1.[Cl-]
|
|
| MCULE-3488414657 |
0.60 |
C12CN(C)CCC3=C(C=C4C(OCO4)=C3)C(=O)CC=1C=CC1OCOC2=1
|
|
| MCULE-1313881996 |
0.60 |
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-1304468907 |
0.60 |
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-5545107428 |
0.60 |
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-5517747794 |
0.60 |
[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-6225386441 |
0.60 |
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-9406913648 |
0.60 |
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
|
|
| MCULE-9448174765 |
0.60 |
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-1417610312 |
0.60 |
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
|
|
