| MCULE-1092339981 |
1 |
O1[C@H]2[C@@H]3C[C@H](C[C@H]([C@@H]12)N3C)OC([C@@H](C1=CC=CC=C1)CO)=O |
|
| MCULE-1606329466 |
1 |
C12C3CC(CC(N3C)C1O2)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-3029278491 |
1 |
[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1 |
|
| MCULE-9148232132 |
1 |
C12C3CC(CC([N+]3(C)C)C1O2)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-5389252451 |
1 |
C[N@+]1([C@]2(C[C@@H](C[C@@]1([C@@]1([C@@]2([H])O1)[H])[H])OC(=O)[C@H](CO)C1C=CC=CC=1)[H])CCCC |
|
| MCULE-2978710107 |
1 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N+]1(C)C)OC([C@H](C1=CC=CC=C1)CO)=O |
|
| MCULE-2402958729 |
1 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N@@+]1(C)CCCC)OC([C@H](C1=CC=CC=C1)CO)=O |
|
| MCULE-7324716873 |
1 |
C[N+]1([C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21)C |
|
| MCULE-4026899885 |
1 |
[C@@H]1(OC(=O)[C@@H](C2C=CC=CC=2)CO)C[C@H]2N(C)[C@H]([C@H]3[C@@H]2O3)C1 |
|
| MCULE-1049895234 |
1 |
[C@]12([C@@]3([H])C[C@@H](OC(=O)[C@H](CO)C4C=CC=CC=4)C[C@]([H])([N+]3(C)C)[C@]1([H])O2)[H] |
|
| MCULE-6350961922 |
1 |
C12C3CC(CC([N+]3(C)CCCC)C1O2)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-8145936025 |
0.99 |
[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1.Br |
|
| MCULE-5968512851 |
0.99 |
C12C3CC(CC([N+]3(C)CCCC)C1O2)OC(=O)C(CO)C1=CC=CC=C1.[Br-] |
|
| MCULE-2387598119 |
0.99 |
C[N+]1([C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21)C.[Br-] |
|
| MCULE-2222459616 |
0.99 |
C[N@+]1([C@]2(C[C@@H](C[C@@]1([C@@]1([C@@]2([H])O1)[H])[H])OC(=O)[C@H](CO)C1C=CC=CC=1)[H])CCCC.[Br-] |
|
| MCULE-9784859575 |
0.99 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N@@+]1(C)CCCC)OC([C@H](C1=CC=CC=C1)CO)=O.[Br-] |
|
| MCULE-4842611277 |
0.99 |
C[N+]1([C@@H]2[C@H]3[C@@H]([C@H]1C[C@@H](OC([C@@H](C1C=CC=CC=1)CO)=O)C2)O3)C.[Br-] |
|
| MCULE-1099479602 |
0.99 |
Cl.C12C3CC(CC(N3C)C1O2)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-9231292450 |
0.99 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N+]1(C)C)OC([C@H](C1=CC=CC=C1)CO)=O.[Br-] |
|
| MCULE-8770434436 |
0.99 |
[Br-].C12C3CC(CC([NH+]3C)C1O2)([H])OC(=O)C(CO)C1C=CC=CC=1 |
|
| MCULE-7614327332 |
0.99 |
CN1[C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21.Br |
|
| MCULE-8278287343 |
0.99 |
Cl.[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1 |
|
| MCULE-4003028645 |
0.99 |
[Br-].C12C3CC(CC([N+]3(C)C)C1O2)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-1715946528 |
0.99 |
O1[C@H]2[C@@H]3C[C@H](C[C@H]([C@@H]12)N3C)OC([C@@H](C1=CC=CC=C1)CO)=O.Br |
|
| MolPort-039-141-795 |
0.99 |
CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23 |
|
| MolPort-000-716-723 |
0.99 |
[Cl-].C[NH+]1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |
|
| MolPort-009-757-632 |
0.99 |
Cl.CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |
|
| MolPort-009-758-260 |
0.99 |
[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |
|
| MolPort-000-716-197 |
0.99 |
[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4CC1c23 |
|
| MolPort-001-728-191 |
0.99 |
C[N+]1(C)CCc2cc3OCOc3c3-c4ccccc4CC1c23 |
|
| MolPort-001-728-098 |
0.99 |
CN1CCc2cc3OCOc3c3-c4ccccc4C[C@@H]1c23 |
|
| MolPort-039-141-795 |
0.99 |
CN1CCc2cc3OCOc3c3-c4ccccc4C[C@H]1c23 |
|
| MCULE-2373510647 |
0.98 |
[C@@H]12O[C@@H]1[C@@H]1N[C@H]2C[C@H](OC(=O)C(CO)C2C=CC=CC=2)C1 |
|
| MolPort-044-723-349 |
0.98 |
CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23 |
|
| MolPort-009-758-085 |
0.98 |
[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4cc(O)ccc4C[C@@H]1c23 |
|
| MolPort-000-744-826 |
0.98 |
[I-].C[N+]1(C)CCc2cc3OCOc3c3-c4cc(O)ccc4CC1c23 |
|
| MolPort-044-723-349 |
0.98 |
CN1CCc2cc3OCOc3c3-c4cc5OCOc5cc4C[C@H]1c23 |
|
| MolPort-006-069-104 |
0.97 |
COc1cc2C[C@@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-046-158-528 |
0.95 |
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 |
|
| MolPort-046-158-528 |
0.95 |
COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23 |
|
| MolPort-044-181-450 |
0.94 |
Cl.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31 |
|
| MolPort-035-705-704 |
0.94 |
COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13 |
|
| MolPort-044-181-450 |
0.94 |
Cl.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc2OCOc2c-31 |
|
| MolPort-035-705-704 |
0.94 |
COc1cccc-2c1C[C@H]1N(C)CCc3cc4OCOc4c-2c13 |
|
| MolPort-035-705-706 |
0.93 |
COc1cc(O)c-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1 |
|
| MolPort-035-705-706 |
0.93 |
COc1cc(O)c-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1 |
|
| MolPort-035-705-705 |
0.92 |
COc1ccc-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC |
|
| MolPort-035-705-705 |
0.92 |
COc1ccc-2c(C[C@H]3N(C)CCc4cc5OCOc5c-2c34)c1OC |
|
| MCULE-5255660147 |
0.92 |
CN1C2CC(OC(C(C3C=CC=CC=3)CO)=O)CC1CC2O |
|
| MCULE-9631538545 |
0.92 |
CN1[C@H]2C[C@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@@H]1[C@@H](O)C2 |
|
| MCULE-2900384139 |
0.92 |
CN1[C@@]2(C[C@@H](C[C@]1([C@@H](C2)O)[H])OC(=O)[C@@H](C1C=CC=CC=1)CO)[H] |
|
| MCULE-6111826573 |
0.92 |
[C@@H]1(O)C[C@@H]2N(C)[C@H]1C[C@@H](C2)OC(=O)[C@@H](CO)C1C=CC=CC=1 |
|
| MCULE-2778105839 |
0.92 |
N1(C)[C@H]2C[C@@H](C[C@@H]1C[C@H]2O)OC(=O)[C@]([H])(CO)C1C=CC=CC=1 |
|
| MCULE-3459933530 |
0.92 |
N1(C)[C@@H]2C[C@H](C[C@H]1C[C@@H]2O)OC(=O)[C@]([H])(CO)C1=CC=CC=C1 |
|
| MCULE-7752584179 |
0.91 |
C1[C@H]2N(C)[C@@H](C[C@@H]1OC(=O)[C@](O)(C1C=CC=CC=1)CO)[C@H]1[C@@H]2O1 |
|
| MCULE-3161322920 |
0.91 |
Br.N1(C)[C@H]2C[C@@H](C[C@@H]1C[C@H]2O)OC(=O)[C@]([H])(CO)C1C=CC=CC=1 |
|
| MCULE-9752618201 |
0.91 |
Cl.N1(C)[C@@H]2C[C@H](C[C@H]1C[C@@H]2O)OC(=O)[C@]([H])(CO)C1=CC=CC=C1 |
|
| MolPort-044-723-196 |
0.90 |
COc1cc2CCN[C@@H]3Cc4ccccc4-c(c1OC)c23 |
|
| MolPort-016-638-487 |
0.90 |
COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-001-728-186 |
0.90 |
COc1cc2CCN(C)C3Cc4ccccc4-c(c1OC)c23 |
|
| MolPort-003-811-346 |
0.90 |
COc1cc2CCN(C)[C@@H]3Cc4ccccc4-c(c1OC)c23 |
|
| MolPort-000-160-612 |
0.90 |
COc1cc2CCNC3Cc4ccc(O)cc4-c(c1OC)c23 |
|
| MolPort-039-141-833 |
0.90 |
COc1cc-2c(C[C@@H]3NCCc4c(OC)c5OCOc5c-2c34)cc1O |
|
| MolPort-044-726-717 |
0.90 |
COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23 |
|
| MolPort-039-338-413 |
0.90 |
COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23 |
|
| MolPort-046-158-431 |
0.90 |
COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23 |
|
| MolPort-046-158-431 |
0.90 |
COc1c(O)cc2CCN(C)[C@@H]3Cc4ccccc4-c1c23 |
|
| MolPort-039-338-413 |
0.90 |
COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccccc4-c(c1OC)c23 |
|
| MolPort-039-141-833 |
0.90 |
COc1cc-2c(C[C@@H]3NCCc4c(OC)c5OCOc5c-2c34)cc1O |
|
| MolPort-044-726-717 |
0.90 |
COc1c(O)cc2CCN[C@@H]3Cc4ccccc4-c1c23 |
|
| MolPort-044-723-196 |
0.90 |
COc1cc2CCN[C@@H]3Cc4ccccc4-c(c1OC)c23 |
|
| MolPort-001-728-088 |
0.89 |
COc1cc2CC3N(C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-001-728-107 |
0.89 |
COc1cc-2c(CC3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-027-717-823 |
0.89 |
Cl.COc1cc2CC3NCCc4c(OC)c5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-001-728-137 |
0.89 |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-046-417-459 |
0.89 |
Cl.COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-000-699-064 |
0.89 |
[Cl-].COc1cc2CC3[NH+](C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-046-681-936 |
0.89 |
Cl.COc1cc2CC3N(C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-046-681-936 |
0.89 |
Cl.COc1cc2CC3N(C)CCc4c(OC)c5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-021-804-776 |
0.89 |
COc1cc-2c(CC3NCCc4cc(OC)c(OC)c-2c34)cc1O |
|
| MolPort-046-417-459 |
0.89 |
Cl.COc1cc-2c(C[C@@H]3NCCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-027-717-823 |
0.89 |
Cl.COc1cc2CC3NCCc4c(OC)c5OCOc5c(-c2cc1OC)c34 |
|
| MolPort-021-804-776 |
0.89 |
COc1cc-2c(CC3NCCc4cc(OC)c(OC)c-2c34)cc1O |
|
| MolPort-035-705-709 |
0.88 |
COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O |
|
| MolPort-039-338-426 |
0.88 |
COc1ccc2C[C@@H]3NCCc4c(OC)c5OCOc5c(c34)-c2c1OC |
|
| MolPort-035-705-709 |
0.88 |
COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(OC)c-24)cc1O |
|
| MolPort-021-804-578 |
0.88 |
COc1cc-2c(CC3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |
|
| MolPort-000-880-959 |
0.88 |
COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |
|
| MolPort-039-338-426 |
0.88 |
COc1ccc2C[C@@H]3NCCc4c(OC)c5OCOc5c(c34)-c2c1OC |
|
| MolPort-002-325-560 |
0.88 |
Cl.COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |
|
| MolPort-000-712-291 |
0.88 |
[Cl-].COc1cc2CC3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |
|
| MolPort-016-638-405 |
0.88 |
Cl.COc1cc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |
|
| MolPort-003-894-407 |
0.88 |
Cl.COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-001-728-207 |
0.88 |
COc1cc2CC3c4c(CC[N+]3(C)C)cc(OC)c(OC)c4-c2cc1OC |
|
| MolPort-003-804-060 |
0.88 |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |
|
| MolPort-001-728-091 |
0.88 |
COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34 |
|
| MolPort-000-726-839 |
0.88 |
[Cl-].COc1cc-2c(CC3[NH+](C)CCc4cc(O)c(OC)c-2c34)cc1O |
|
| MolPort-021-804-578 |
0.88 |
COc1cc-2c(CC3N(C)CCc4cc(OC)c(OC)c-2c34)cc1O |
|
| MolPort-046-509-032 |
0.87 |
COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23 |
|
| MolPort-046-509-032 |
0.87 |
COc1cc2CCN(C)[C@H]3Cc4ccccc4-c(c1O)c23 |
|
| MolPort-035-705-708 |
0.87 |
COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1O |
|
| MolPort-035-705-708 |
0.87 |
COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1O |
|
| MolPort-019-879-464 |
0.87 |
COc1cc-2c(C[C@@H]3NCCc4cc(OC)c(O)c-2c34)cc1O |
|
| MolPort-005-944-803 |
0.87 |
COc1cc2CCN[C@H]3Cc4ccc(O)c(OC)c4-c(c1OC)c23 |
|
| MolPort-005-944-804 |
0.86 |
COc1cc2CCN(C)[C@H]3Cc4ccc(O)c(OC)c4-c(c1OC)c23 |
|
| MolPort-001-728-113 |
0.86 |
COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c23 |
|
| MolPort-001-728-104 |
0.86 |
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O |
|
| MolPort-039-052-582 |
0.86 |
COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c-24)cc1O |
|
| MolPort-000-831-954 |
0.86 |
Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O |
|
| MolPort-009-758-341 |
0.86 |
[I-].COc1cc2CC[N+](C)(C)[C@H]3Cc4cccc(OC)c4-c(c1O)c23 |
|
| MolPort-001-742-663 |
0.86 |
COc1ccc2CC3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC |
|
| MolPort-000-881-669 |
0.86 |
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC |
|
| MolPort-000-745-331 |
0.86 |
[I-].COc1cc2CC[N+](C)(C)C3Cc4cccc(OC)c4-c(c1O)c23 |
|
| MolPort-035-705-707 |
0.86 |
COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC |
|
| MolPort-004-955-365 |
0.86 |
COc1cc-2c(C[C@@H]3N(C)CCc4cc(OC)c(O)c-2c34)cc1O |
|
| MolPort-001-728-159 |
0.86 |
COc1ccc2CC3N(C)CCc4cc(OC)c(OC)c(c34)-c2c1O |
|
| MolPort-035-705-707 |
0.86 |
COc1ccc2C[C@@H]3N(C)CCc4cc(O)c(OC)c(c34)-c2c1OC |
|
| MolPort-039-052-582 |
0.86 |
COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c-24)cc1O |
|
| MCULE-9602198033 |
0.86 |
C12C3OC3C(N1C)CC(OC(C(=C)C1C=CC=CC=1)=O)C2 |
|
| MolPort-000-880-958 |
0.85 |
COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1O |
|
| MolPort-001-728-145 |
0.85 |
COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-001-728-108 |
0.85 |
COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-009-758-319 |
0.85 |
Cl.COc1ccc2C[C@@H]3N(C)CCc4cc(OC)c(O)c(c34)-c2c1OC |
|
| MCULE-4065948935 |
0.85 |
[N+]1(C)(CC#C)C2CC(CC1CC2O)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-6494232456 |
0.85 |
[N+]1(C)(CC#C)C2CC(CC1CC2O)OC(=O)C(CO)C1=CC=CC=C1.[Br-] |
|
| MolPort-039-338-202 |
0.84 |
[Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-046-594-322 |
0.84 |
[Cl-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-006-069-296 |
0.84 |
[I-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-000-741-480 |
0.84 |
[I-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-039-338-202 |
0.84 |
[Cl-].COc1ccc2C[C@H]3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MolPort-046-594-322 |
0.84 |
[Cl-].COc1ccc2CC3c4c(CC[N+]3(C)C)cc(OC)c(O)c4-c2c1O |
|
| MCULE-5177393878 |
0.84 |
O(C([C@H](C1=CC=CC=C1)CO)=O)[C@H]1C[C@H]2CC[C@@H](C1)[N@+]2(C)C(C)C |
|
| MCULE-4086432588 |
0.84 |
O=C([C@@H](C1C=CC=CC=1)CO)O[C@H]1C[C@@H]2N(C)[C@@H](CC2)C1 |
|
| MCULE-6115002034 |
0.84 |
O(C([C@@H](C1C=CC=CC=1)CO)=O)[C@H]1C[C@@H]2CC[C@H](C1)N2C |
|
| MCULE-7662254879 |
0.84 |
[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2 |
|
| MCULE-5049980463 |
0.84 |
O(C([C@@H](CO)C1=CC=CC=C1)=O)[C@H]1C[C@@H]2CC[C@H](C1)N2C |
|
| MCULE-9149653773 |
0.84 |
[N+]1(C)(C(C)C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2 |
|
| MCULE-9094179165 |
0.84 |
N1(C)C2CCC1CC(C2)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-1764209130 |
0.84 |
N1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@]([H])(CO)C1=CC=CC=C1)C2 |
|
| MCULE-1442325143 |
0.83 |
[N+]1(C)(C(C)C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2.[Br-] |
|
| MCULE-9236781222 |
0.83 |
[I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2 |
|
| MCULE-2808921144 |
0.83 |
O(C([C@H](C1=CC=CC=C1)CO)=O)[C@H]1C[C@H]2CC[C@@H](C1)[N@+]2(C)C(C)C.[Br-] |
|
| MCULE-3274523980 |
0.83 |
O=C(C(C1C=CC=CC=1)CO)O[C@H]1C[C@@H]2N[C@@H](CC2)C1 |
|
| MCULE-7044673430 |
0.83 |
[Cl-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CO)C1=CC=CC=C1)C2 |
|
| MCULE-4907571371 |
0.82 |
C(C1C=CC=CC=1)(C(=O)OCC)C(=O)O[C@@H]1C[C@@H]2CC[C@@H]([N+]2(C)C)C1 |
|
| MCULE-1521238572 |
0.81 |
[O-]N(=O)=O.C12CCC(CC(OC(=O)C(CO)C3C=CC=CC=3)C1)[N+]2(C)C |
|
| MCULE-3956868404 |
0.81 |
C(CC)(CO)(C1C=CC=CC=1)C(=O)OC1CC2CCC(N2C)C1 |
|
| MCULE-8404575155 |
0.81 |
N1(C)C2CCC1CC(OC(=O)CC1C=CC=CC=1)C2 |
|
| MCULE-4352645763 |
0.81 |
[N+]1(C)(C)C2CCC1CC(OC(=O)C(CC)(CO)C1=CC=CC=C1)C2 |
|
| MolPort-005-944-802 |
0.80 |
COc1cc-2c(C[C@H]3c4c(CC[N+]3(C)[O-])cc(OC)c(OC)c-24)cc1O |
|
| MCULE-6861535689 |
0.80 |
C(CO)(CC)(C1C=CC=CC=1)C(=O)OC1CC2N(C)C(CC2)C1.Br |
|
| MCULE-2314130470 |
0.80 |
Cl.C(CC)(CO)(C1C=CC=CC=1)C(=O)OC1CC2CCC(N2C)C1 |
|
| MCULE-5598343768 |
0.80 |
[I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C(CC)(CO)C1=CC=CC=C1)C2 |
|
| MolPort-001-910-168 |
0.79 |
COc1cc2CCN(C3Cc4ccc(OC(C)=O)cc4-c(c1OC)c23)C(C)=O |
|
| MCULE-5981343996 |
0.79 |
[NH+]1(C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2.S(O)(=O)(=O)[O-] |
|
| MCULE-1522379809 |
0.79 |
C(=O)(OC1CCC2N(C)C(CC2)C1)C(CO)C1C=CC=CC=1 |
|
| MCULE-2140948986 |
0.79 |
[N+]1([H])(C)C2([H])CCC1([H])CC(OC(=O)C(CO)C1=CC=CC=C1)C2.[N+]1([H])(C)C2([H])CCC1([H])CC(OC(=O)C(CO)C1=CC=CC=C1)C2.S(=O)(=O)([O-])[O-] |
|
| MCULE-1069736810 |
0.79 |
[N+]1(C)(CC#C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2 |
|
| MCULE-3922871276 |
0.78 |
[N+]1(C)(CC#C)C2CCC1CC(OC(=O)C(CO)C1C=CC=CC=1)C2.[Br-] |
|
| MCULE-8910527018 |
0.78 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC1C=CC=CC=1)=O |
|
| MCULE-6806105930 |
0.78 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CC1=CC=CC=C1)=O)C |
|
| MCULE-9583426095 |
0.78 |
C1=CC=C(C=C1)CC(=O)OCC1CCCN2CCCCC21 |
|
| MolPort-042-665-655 |
0.77 |
Br.Oc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O |
|
| MolPort-039-098-334 |
0.77 |
Cl.CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-042-665-656 |
0.77 |
Br.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-046-688-634 |
0.77 |
Cl.[2H]c1c([2H])c2CCN(C)[C@@H]3Cc4c([2H])c([2H])c(O)c(O)c4-c(c1[2H])c23 |
|
| MolPort-046-688-634 |
0.77 |
Cl.[2H]c1c([2H])c2CCN(C)[C@@H]3Cc4c([2H])c([2H])c(O)c(O)c4-c(c1[2H])c23 |
|
| MolPort-004-828-866 |
0.77 |
CN1CCc2cccc-3c2C1Cc1ccc(O)c(O)c-31 |
|
| MolPort-002-507-063 |
0.77 |
CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-042-665-655 |
0.77 |
Br.Oc1ccc2C[C@H]3NCCc4cccc(c34)-c2c1O |
|
| MolPort-042-665-656 |
0.77 |
Br.CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-003-983-404 |
0.77 |
Cl.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-003-930-972 |
0.77 |
O.Cl.Cl.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31.CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-000-730-654 |
0.77 |
O.[Cl-].C[NH+]1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31 |
|
| MolPort-039-098-334 |
0.77 |
Cl.CN1CCc2cccc-3c2[C@@H]1Cc1ccc(O)c(O)c-31 |
|
| MCULE-8879043093 |
0.77 |
[N+]1(C)(C)C2CCC1CC(C2)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-1020725763 |
0.77 |
[I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CC1=CC=CC=C1)=O)C |
|
| MCULE-9570543712 |
0.77 |
C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)O[C@H]1C[C@H]2CC[C@@H](C1)N2C |
|
| MCULE-6393543163 |
0.77 |
[I-].[N+]1(C)(C)C2CCC1CC(C2)OC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-9209059664 |
0.77 |
Cl.C(=O)(C(C1C=CC=CC=1)C1=CC=CC=C1)OC1CC2CCC(N2C)C1 |
|
| MCULE-9502913097 |
0.77 |
N1(C)C2CCC1CC(OC(=O)C(CC)C1=CC=CC=C1)C2 |
|
| MCULE-5782685780 |
0.77 |
N1(C)C2CCC1CC(OC(=O)C(CC)C1=CC=CC=C1)C2.Cl |
|
| MCULE-4619581784 |
0.77 |
N12CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12 |
|
| MCULE-8578717152 |
0.77 |
C(=O)(C(C1C=CC=CC=1)C1=CC=CC=C1)OC1CC2CCC(N2C)C1 |
|
| MCULE-7361462883 |
0.77 |
[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12)C |
|
| MCULE-6424991311 |
0.76 |
[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(=O)CC1C=CC=C2C=CC=CC=12)C.[I-] |
|
| MolPort-001-728-093 |
0.75 |
COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC |
|
| MCULE-4782455287 |
0.75 |
S([O-])(=O)(=O)OC.C(C1C=CC=CC=1)(C(=O)OCC)C(=O)O[C@@H]1C[C@@H]2CC[C@@H]([N+]2(C)C)C1 |
|
| MCULE-8605790063 |
0.75 |
N1(CCC2=CC=CC=C2)C2CCC1CC(C2)OC(=O)CCN1CCOCC1 |
|
| MolPort-009-758-369 |
0.74 |
Cl.Cl.COc1cc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC |
|
| MolPort-000-725-509 |
0.74 |
[Cl-].[Cl-].COc1cc(CC2[NH+](C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4[NH+](C)CCc5cc(OC)c(OC)c(-c3cc2OC)c45)cc1OC |
|
| MCULE-4069736232 |
0.74 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(CC)C1=CC=CC=C1 |
|
| MCULE-1432508651 |
0.74 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1=CC=CC=C1 |
|
| MCULE-1554479850 |
0.74 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)C.[I-] |
|
| MCULE-2698601005 |
0.74 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)C |
|
| MCULE-7885256638 |
0.73 |
N1(C)C2CCC1CC(OC(=O)C1(CCCC1)C1C=CC=CC=1)C2 |
|
| MCULE-7216612890 |
0.73 |
[N+]1(C)(C)C2CCC1CC(OC(=O)C1(CCCC1)C1=CC=CC=C1)C2 |
|
| MCULE-7840666108 |
0.73 |
N1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1=CC=CC=C1)C2 |
|
| MCULE-7109134658 |
0.73 |
N1(C)C2CCC1CC(OC(=O)C(O)C1C=CC=CC=1)C2 |
|
| MCULE-8960409513 |
0.73 |
Br.N1(C)C2CCC1CC(OC(=O)C(O)C1C=CC=CC=1)C2 |
|
| MCULE-1966757857 |
0.73 |
[N+]1(C)(C)C2CCC1CC(OC(=O)C(O)C1=CC=CC=C1)C2 |
|
| MCULE-4330080118 |
0.73 |
[N+]1(C)(C)C2CCC1CC(OC(=O)C(O)C1=CC=CC=C1)C2.[Br-] |
|
| MCULE-8936787872 |
0.73 |
[N+]1(C)(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1C=CC=CC=1)C2 |
|
| MCULE-9922406047 |
0.73 |
Cl.OC(C(OC1CC2CCC(N2C)C1)=O)C1=CC=CC=C1 |
|
| MCULE-3357701074 |
0.73 |
O(C([C@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@H]2CC[C@@H](C1)N2C |
|
| MCULE-9493769202 |
0.73 |
Br.O(C([C@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@H]2CC[C@@H](C1)N2C |
|
| MCULE-4009850984 |
0.73 |
O(C([C@@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |
|
| MCULE-4243504160 |
0.73 |
O(C([C@@H](C1=CC=CC=C1)O)=O)[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-] |
|
| MolPort-000-840-202 |
0.72 |
Cl.Cl.COc1cc(CC2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3CC4N(C)CCc5cc(OC)c(O)c(-c3cc2OC)c45)cc1OC |
|
| MolPort-009-758-638 |
0.72 |
Cl.Cl.COc1cc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)c(Oc2cc3C[C@@H]4N(C)CCc5cc(OC)c(O)c(-c3cc2OC)c45)cc1OC |
|
| MCULE-8148127006 |
0.72 |
[N+]1(C)(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1C=CC=CC=1)C2.[I-] |
|
| MCULE-5882494450 |
0.72 |
Cl.N1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C1(CCCC1)C1=CC=CC=C1)C2 |
|
| MCULE-8229626264 |
0.72 |
C1CC2N(C)C1CC(OC(C(=C)C1C=CC=CC=1)=O)C2 |
|
| MCULE-8330180428 |
0.72 |
[I-].[N+]1(C)(C)C2CCC1CC(OC(=O)C1(CCCC1)C1=CC=CC=C1)C2 |
|
| MCULE-3033075086 |
0.72 |
[NH+]1(C)C2CCC1CC(OC(=O)C1(CCCC1)C1C=CC=CC=1)C2.[Cl-] |
|
| MCULE-3215620925 |
0.71 |
O=C(O[C@H]1C[C@H]2[N+]3(CCCC3)[C@H](CC2)C1)C(C1C=CC=CC=1)(O)C1C=CC=CC=1 |
|
| MCULE-2478597756 |
0.71 |
[N+]12(CCCCC1C(CCC2)OC(=O)C1(CCCC1)C1C=CC=CC=1)C |
|
| MCULE-2049010013 |
0.71 |
C(=O)(C(C1=CC=CC=C1)C1C=CC=CC=1)OC1C(C)CN(C(C)C1)C |
|
| MCULE-2452504801 |
0.71 |
OC(C1C=CC=CC=1)(C1C=CC=CC=1)C(OC1CC2[N+]3(CCCC3)C(CC2)C1)=O |
|
| MCULE-5335441771 |
0.71 |
C(=O)(OC1C2CC[N+](CC2)(C)C1)C(CC)(CO)C1C=CC=CC=1 |
|
| MCULE-2599073468 |
0.71 |
C(=O)(OC1C2CC[N+](CC2)(C)C1)C(CC)(CO)C1C=CC=CC=1.[I-] |
|
| MCULE-7336708330 |
0.71 |
C1C2CCN(CC2OC(=O)C(CCC)(C2C=CC=CC=2)CO)C1.Cl |
|
| MCULE-5018061191 |
0.71 |
[N+]12(CCCC1)[C@@]1([H])CC[C@]2([H])C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-5737942504 |
0.71 |
C1C2CCN(CC2OC(=O)C(CCC)(C2C=CC=CC=2)CO)C1 |
|
| MCULE-7058728946 |
0.71 |
C1C2CCN(CC2OC(=O)C(CO)(C2C=CC=CC=2)C2C=CC=CC=2)C1 |
|
| MCULE-4794523994 |
0.71 |
O=C(C(C1C=CC=CC=1)(O)C1C=CC=CC=1)O[C@@H]1C[C@@]2([H])N(C)[C@@](CC2)([H])C1 |
|
| MCULE-1682580895 |
0.71 |
C(O)(C(=O)OC1CC2CCC(N2C)C1)(C1C=CC=CC=1)C1C=CC=CC=1 |
|
| MCULE-7105762729 |
0.71 |
C1C2CCN(CC2OC(=O)C(CO)(C2C=CC=CC=2)C2C=CC=CC=2)C1.Cl |
|
| MolPort-046-684-160 |
0.70 |
[Cl-].C1Oc2cc3CC[NH+]4Cc5c6OCOc6ccc5C[C@H]4c3cc2O1 |
|
| MolPort-039-339-180 |
0.70 |
COc1cc2CCN3Cc4c5OCOc5ccc4CC3c2cc1OC |
|
| MolPort-046-153-801 |
0.70 |
COc1cc2[C@@H]3Cc4ccc5OCOc5c4CN3CCc2cc1O |
|
| MolPort-046-153-801 |
0.70 |
COc1cc2[C@@H]3Cc4ccc5OCOc5c4CN3CCc2cc1O |
|
| MolPort-039-339-180 |
0.70 |
COc1cc2CCN3Cc4c5OCOc5ccc4CC3c2cc1OC |
|
| MolPort-003-873-294 |
0.70 |
C1Oc2cc3CCN4Cc5c6OCOc6ccc5CC4c3cc2O1 |
|
| MolPort-000-882-001 |
0.70 |
C1Oc2cc3CCN4Cc5c6OCOc6ccc5C[C@@H]4c3cc2O1 |
|
| MolPort-046-684-160 |
0.70 |
[Cl-].C1Oc2cc3CC[NH+]4Cc5c6OCOc6ccc5C[C@H]4c3cc2O1 |
|
| MCULE-7871271166 |
0.70 |
[Br-].[C@]12([H])[N+]3(CCCC3)[C@]([H])(CC1)C[C@H](OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C2 |
|
| MCULE-5375930621 |
0.70 |
[N+]12(CCCCC1C(CCC2)OC(=O)C1(CCCC1)C1C=CC=CC=1)C.[I-] |
|
| MCULE-1755716955 |
0.70 |
[N+]1(C)(CC(=O)OC2CCC3(C([H])(CCC4C3CCC3(C4(O)CCC3C3COC(=O)C=3)C)C2)C=O)C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1.[Br-] |
|
| MCULE-5303452316 |
0.70 |
[N+]1(C)(CC(=O)OC2CCC3(C([H])(CCC4C3CCC3(C4(O)CCC3C3COC(=O)C=3)C)C2)C=O)C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1 |
|
| MCULE-8030016879 |
0.70 |
C1(CCCC1)(C1C=CC=CC=1)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H] |
|
| MCULE-3251835927 |
0.70 |
[Cl-].[NH+]1(C)C2CCC1CC(C2)OC(=O)C(O)(C1C=CC=CC=1)C1=CC=CC=C1 |
|
| MCULE-5771847332 |
0.70 |
OC(C1C=CC=CC=1)(C1C=CC=CC=1)C(OC1CC2[N+]3(CCCC3)C(CC2)C1)=O.[Cl-] |
|
| MCULE-3625043673 |
0.70 |
O=C(C(C1C=CC=CC=1)(O)C1C=CC=CC=1)O[C@@H]1C[C@@]2([H])N[C@@](CC2)([H])C1 |
|
| MCULE-2320624094 |
0.70 |
NC(C1=CC=C(CC(OC2CC3CCCN3CC2)=O)C=C1)=O |
|
| MCULE-4302231190 |
0.70 |
[Cl-].[N+]12(CCCC1)[C@@]1([H])CC[C@]2([H])C[C@@H](C1)OC(=O)C(O)(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-6156933118 |
0.70 |
[Cl-].O=C(O[C@H]1C[C@H]2[N+]3(CCCC3)[C@H](CC2)C1)C(C1C=CC=CC=1)(O)C1C=CC=CC=1 |
|
| MCULE-5392173631 |
0.69 |
Cl.O=C(C(C1C=CC=CC=1)(O)C1C=CC=CC=1)O[C@@H]1C[C@@]2([H])N[C@@](CC2)([H])C1 |
|
| MCULE-2427062636 |
0.69 |
N1(CCCCC1)CCOC(CC1C=CC=CC=1)=O |
|
| MCULE-7372965018 |
0.69 |
C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C |
|
| MCULE-6360711273 |
0.69 |
C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C.C(O)(=O)C |
|
| MCULE-1892165530 |
0.69 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC1C=CC(=CC=1)OC)=O |
|
| MolPort-007-549-950 |
0.69 |
CN1CCc2cccc-3c2C1Cc1ccc(OC(=O)c2ccc(C)cc2)c(OC(=O)c2ccc(C)cc2)c-31 |
|
| MolPort-001-728-092 |
0.69 |
COc1cc2CCN(C)C(Cc3ccc(OCOc4ccc(CC5N(C)CCc6cc(OC)c(OC)cc56)cc4)cc3)c2cc1OC |
|
| MCULE-4826245259 |
0.69 |
OC1CC2N(C)C(CC2OC(=O)C)C1 |
|
| MCULE-2593624791 |
0.69 |
N1(CCC2(CC1)OCCC(C2)N1CCOCC1)C(=O)CC1C=CC=CC=1 |
|
| MCULE-3344842020 |
0.69 |
OC(CC1=C(CN2C(CC3OCCC3)COCC2)C=CC=C1)=O |
|
| MCULE-5247034052 |
0.69 |
[N+]1(CCCCC1)(C)CCOC(=O)C(C)(CC)C1C=CC=CC=1 |
|
| MCULE-1804109962 |
0.69 |
[N+]1(CCCCC1)(C)CCOC(=O)C(C)(CC)C1C=CC=CC=1.[I-] |
|
| MCULE-6591859323 |
0.69 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(=O)CC1C=CC(=CC=1)C |
|
| MCULE-6314559959 |
0.69 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCN1CCCCC1)=O |
|
| MCULE-5001267857 |
0.69 |
Cl.C1(CCCC1)(C1=CC=CC=C1)C(OCCN1CCCCC1)=O |
|
| MCULE-1857272759 |
0.69 |
C1C=C(C(C2C=CC=CC=2)C(=O)OC2CCN(CCO)CC2)C=CC=1 |
|
| MCULE-1082665192 |
0.69 |
OC1C(C2N(C(COCCC3=CC=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-9088072599 |
0.69 |
C(O)(C(=O)OCC1CCCC[N+]1(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-8007991830 |
0.68 |
N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2 |
|
| MCULE-1110703759 |
0.68 |
O=C(C(C1C=CC=CC=1)C1C=CC=CC=1)OC1CCCN(CC)C1 |
|
| MCULE-6716473596 |
0.68 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1 |
|
| MCULE-3340945486 |
0.68 |
Cl.N1(CCCCC1)CCOC(CC1C=CC=CC=1)=O |
|
| MCULE-6435439338 |
0.68 |
Cl.C1C2CCN(CC2OC(=O)C(C2C=CC=CC=2)CC)C1 |
|
| MCULE-3165576046 |
0.68 |
OC(C1N(CCCOCCC2C=CC=CC=2)CCCC1)=O |
|
| MCULE-4096574758 |
0.68 |
[N+]12(C)CCC(C(C1)OC(=O)C(CC)C1=CC=CC=C1)CC2.[I-] |
|
| MCULE-1669254071 |
0.68 |
[N+]12(C)CCC(C(C1)OC(=O)C(CC)C1=CC=CC=C1)CC2 |
|
| MCULE-5876825477 |
0.68 |
C(O)(C1C=CC=CC=1)(C1C=CC=CC=1)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H] |
|
| MCULE-2016660190 |
0.68 |
C1C2CCN(CC2OC(=O)C(C2C=CC=CC=2)CC)C1 |
|
| MCULE-4712401568 |
0.68 |
Cl.Cl.N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2 |
|
| MCULE-1461206434 |
0.68 |
C(C(=O)OC1CCCN(CC)C1)(C1C=CC=CC=1)C1C=CC=CC=1.Cl |
|
| MCULE-2114970741 |
0.68 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C |
|
| MolPort-046-680-186 |
0.68 |
[2H]C1N2CCc3cc4OCOc4cc3C2([2H])C([2H])c2ccc(OC)c(OC)c12 |
|
| MolPort-001-728-139 |
0.68 |
COc1ccc2C[C@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |
|
| MolPort-035-705-719 |
0.68 |
COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |
|
| MolPort-046-763-412 |
0.68 |
Cl.COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC |
|
| MolPort-001-728-057 |
0.68 |
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC |
|
| MolPort-035-705-719 |
0.68 |
COc1ccc2C[C@@H]3N(CCc4cc5OCOc5cc34)Cc2c1OC |
|
| MolPort-046-680-186 |
0.68 |
[2H]C1N2CCc3cc4OCOc4cc3C2([2H])C([2H])c2ccc(OC)c(OC)c12 |
|
| MolPort-046-763-412 |
0.68 |
Cl.COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC |
|
| MCULE-7811432529 |
0.67 |
CC1(C(C2N(C(COCCC3=CC=CC=C3)=O)CCC2)CCCC1)O |
|
| MCULE-5512609625 |
0.67 |
OC1C(C2N(C(CC3=C4C(C=CC=C4)=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-6452886670 |
0.67 |
C(O)(C1C=CC=CC=1)(C1C=CC=CC=1)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H].Cl |
|
| MCULE-6431226035 |
0.67 |
[NH+]1(CCOCC)CCC(CCC2C=CC=CC=2)(OC(CC)=O)CC1 |
|
| MCULE-2400498168 |
0.67 |
OC1C(C2N(C(COCCC3=CC=CC=C3)=O)CCC2)CCCC1 |
|
| MCULE-8896614396 |
0.67 |
[N+]1(C)(C)CCC(CC1)OC(C(C(C)CC)C1C=CC=CC=1)=O |
|
| MCULE-7924716378 |
0.67 |
CC1OCCN(C2CCN(CCCOCCC3=CC=CC=C3)CC2)C1 |
|
| MCULE-1167972551 |
0.67 |
C(=O)(OC1CCCN(C)C1)C(C)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-4869122368 |
0.67 |
C1C(O)C2N(C)C1CC(OC(CC(C)C)=O)C2 |
|
| MCULE-4185067201 |
0.67 |
Cl.C(=O)(OC1CCCN(C)C1)C(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-9272110397 |
0.67 |
C(=O)(C(C(C)CC)C1=CC=CC=C1)OC1CCN(CC1)C |
|
| MCULE-7930089169 |
0.67 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)CC1C=CC=CC=1 |
|
| MCULE-1459369803 |
0.67 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCN1CCCC1)=O |
|
| MCULE-5019226591 |
0.67 |
C1(CCCC1)(C1=CC=CC=C1)C(OCCCN1CCCC1)=O |
|
| MCULE-9623188688 |
0.67 |
Cl.C(=O)(OC1CCCN(C)C1)C(C)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-6193007117 |
0.67 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)C.[I-] |
|
| MCULE-8152196377 |
0.67 |
C(=O)(OC1CCCN(C)C1)C(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-2761441589 |
0.67 |
Cl.C(=O)(OC(C)CN1CCCCC1)C(C1C=CC=CC=1)C1C=CC=CC=1 |
|
| MCULE-4635704042 |
0.67 |
C(=O)(OC(C)CN1CCCCC1)C(C1C=CC=CC=1)C1C=CC=CC=1 |
|
| MCULE-3201921046 |
0.67 |
C(=O)(OC(C)CN1CCCCC1)C(C)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-6094189362 |
0.67 |
N1(CCO[C@@]2(C[C@@H]3CC[C@@H](N3)C2)C1)C(=O)CC1=CC=C(C=C1)O |
|
| MCULE-4387267423 |
0.67 |
C(=O)(OC(C)C[NH+]1CCCCC1)C(C)(C1=CC=CC=C1)C1C=CC=CC=1.[Cl-] |
|
| MolPort-000-736-374 |
0.67 |
OC(=O)C([O-])=O.OC(=O)C([O-])=O.COc1cc2CC[NH+](C)C(Cc3ccc(OCOc4ccc(CC5[NH+](C)CCc6cc(OC)c(OC)cc56)cc4)cc3)c2cc1OC |
|
| MolPort-009-653-421 |
0.67 |
Cl.COc1ccc2CN(C)CCc3ccccc3-c2c1O |
|
| MolPort-009-757-490 |
0.67 |
OC(=O)C(O)=O.COc1cc2CCN(C)C(Cc3ccc(OCOc4ccc(CC5N(C)CCc6cc(OC)c(OC)cc56)cc4)cc3)c2cc1OC |
|
| MCULE-3327540313 |
0.66 |
C(CC1=CC=CC=C1)(=O)OC1CCN(CC1)C |
|
| MCULE-4025510661 |
0.66 |
Cl.C(CC1=CC=CC=C1)(=O)OC1CCN(CC1)C |
|
| MCULE-2547829964 |
0.66 |
OC1C(C2N(C(CC3=CC=C(F)C=C3)=O)CCOC2)CCC1 |
|
| MCULE-3542011437 |
0.66 |
C(OCCN1CCCCC1)(=O)C(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-7231836038 |
0.66 |
Cl.C(OCCN1CCCCC1)(=O)C(C1C=CC=CC=1)C1=CC=CC=C1 |
|
| MCULE-9457293945 |
0.66 |
C1(=CC=CC2C=CC=CC1=2)C[C@@H]1CC[C@H](CN2CCC(CC2)C(O)=O)O1 |
|
| MCULE-1046214915 |
0.66 |
OC(CCC1CN(CCCOCCC2C=CC=CC=2)CCC1)=O |
|
| MCULE-6401737843 |
0.66 |
[NH+]1(CCOCC)CCC(CCC2C=CC=CC=2)(OC(CC)=O)CC1.[Cl-] |
|
| MCULE-6442377763 |
0.66 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCOCC1)C(=O)CC1=CC=C(C=C1)F |
|
| MCULE-7396610053 |
0.66 |
COC(C(C1=C(C)C=CC=C1)N1CC2C(OCCC2)CC1)=O |
|
| MCULE-8380038640 |
0.66 |
COC1CC(CO)(C)N(C(C(OCCC2=CC=CC=C2)C)=O)C1 |
|
| MCULE-2702279006 |
0.66 |
CCC(C1=CC=CC=C1)C(OCC(N1C(C)CCCC1C)=O)=O |
|
| MCULE-2022316878 |
0.66 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N(C)C)C(=O)CC1=CC=C(C=C1)F |
|
| MCULE-6781845467 |
0.66 |
[N+]1(C)(C)CCC(CC1)OC(C(C(C)CC)C1C=CC=CC=1)=O.[Br-] |
|
| MCULE-7339605961 |
0.66 |
COCC1(C(=O)O)CN(C(COCCC2C=CC=CC=2)=O)CCC1 |
|
| MCULE-3223538470 |
0.66 |
C(O)(=O)C1CCN(CC1)C[C@H]1CC[C@@H](CC2=CC=CC=C2)O1 |
|
| MCULE-7601880415 |
0.66 |
N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2 |
|
| MCULE-1011293484 |
0.66 |
C(=O)(CC1=CC=CC=C1F)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1 |
|
| MolPort-046-762-434 |
0.66 |
C[N+]12CCc3cc4OCOc4c(O)c3C1Cc1ccc3OCOc3c1C2 |
|
| MolPort-046-762-434 |
0.66 |
C[N+]12CCc3cc4OCOc4c(O)c3C1Cc1ccc3OCOc3c1C2 |
|
| MCULE-1468733429 |
0.65 |
N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2.Cl.Cl |
|
| MCULE-5444435431 |
0.65 |
[H][C@@]12[N+](C)(CC3C=CC(OCCCC)=CC=3)[C@@]([H])(CC1)C[C@H](OC(=O)C(CO)C1C=CC=CC=1)C2 |
|
| MCULE-1310239871 |
0.65 |
N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2 |
|
| MCULE-9729146455 |
0.65 |
N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2 |
|
| MCULE-6640561365 |
0.65 |
C1(CC(C2=CC=CC=C2)C(O[C@@H]2C[C@H]3N([C@H](CC3)C2)C)=O)=CC=C(OC(C)=O)C=C1 |
|
| MCULE-7104330672 |
0.65 |
COC1CC2C(OCCN2C(CC2=CC(C)=CC=C2)=O)CC1 |
|
| MCULE-8985026244 |
0.65 |
N1(C2CCN(CC2)C(=O)CC2C=CC=CC=2)CC(C21CCOCC2)OCC1CC1 |
|
| MCULE-6861832369 |
0.65 |
OC(C(C1COCCC1)NC(COCCC1C=CC=CC=1)=O)=O |
|
| MCULE-4709982738 |
0.65 |
C1C=C(C(O)(C2CCCC2)C(=O)OC2CC[N+](CC(=O)O)(C)C2)C=CC=1 |
|
| MCULE-4031693075 |
0.65 |
CC1=C(CC(N2C(C3C(O)CCC3)COCC2)=O)C=CC=C1 |
|
| MCULE-4612922508 |
0.65 |
O(C([C@@](C1=CC=CC=C1)(C1CCCC1)O)=O)[C@@H]1CC[N+](C)(C)C1 |
|
| MCULE-3438263284 |
0.65 |
O1[C@@H](CC[C@@H]1CN1CCCC1)CC1=CC=C(C=C1)CC(NCC)=O |
|
| MCULE-1200644436 |
0.65 |
CCC(C(O)=O)N1CCC(OCCC2=CC=CC=C2)CC1 |
|
| MCULE-3534523791 |
0.65 |
O=C(N1CCCCCCC1)COC(C1(C2=CC=CC=C2)CCC1)=O |
|
| MCULE-2535230080 |
0.65 |
S([O-])(=O)(=O)OC.C(O)(C(=O)OCC1CCCC[N+]1(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-7316228735 |
0.65 |
C1(C2C=CC=CC=2)(CC1)C(=O)N1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12 |
|
| MCULE-2996648391 |
0.65 |
CN1CC[C@@](OC([C@@](O)(C2CCCC2)C2=CC=CC=C2)=O)(C1)[H] |
|
| MCULE-6576887345 |
0.65 |
N1(C)C2CCC1CC([H])(OC([C@H](O)CC1C=CC=CC=1)=O)C2 |
|
| MCULE-9470084264 |
0.65 |
[C@H]1(OC(C)=O)[C@@H]2CC[C@@H](O)[C@@H](N2)C1 |
|
| MCULE-8224011941 |
0.65 |
OC1C(C2N(C(CC3=CC(F)=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-1639209821 |
0.65 |
OC(CCCCN1CC(OCCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-4473594581 |
0.65 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(CCCC1C=CC=CC=1)=O |
|
| MCULE-4597834227 |
0.65 |
C(=O)(CC1=CC=CC=C1C)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCOCC1 |
|
| MCULE-9149390949 |
0.65 |
[H][C@@]12[N+](C)(CC3C=CC(OCCCC)=CC=3)[C@@]([H])(CC1)C[C@H](OC(=O)C(CO)C1C=CC=CC=1)C2.[Br-] |
|
| MCULE-9482753335 |
0.65 |
C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O |
|
| MCULE-6334590639 |
0.65 |
OC([C@@]12CCOC[C@@H]1CN(C(COCCC1=CC=CC=C1)=O)C2)=O |
|
| MCULE-8410685987 |
0.65 |
C[N+]1(CC(OC(C(C2C=CC=CC=2)(C2CCCC2)O)=O)CC1)C |
|
| MCULE-3052463825 |
0.64 |
C1OCC2CC(OCC3C=CC=CC=3)CC1[N+]2(C)C |
|
| MCULE-2321710759 |
0.64 |
OC(CC1(NC(CCCOCCC2C=CC=CC=2)=O)COCC1)=O |
|
| MCULE-8629095691 |
0.64 |
CCC(C(O)=O)N1CCC(OCCC2=CC=CC=C2)CC1.Cl |
|
| MCULE-4501577609 |
0.64 |
OC(C1CCC(C(N2CC(OCCCC3=CC=CC=C3)CC2)=O)CC1)=O |
|
| MCULE-8347063656 |
0.64 |
C(CC1C=CC(=CC=1)Cl)(=O)OC1CCCN(C)C1 |
|
| MCULE-8064551925 |
0.64 |
Cl.C(CC1C=CC(=CC=1)Cl)(=O)OC1CCCN(C)C1 |
|
| MCULE-8688010968 |
0.64 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C(C)(C)C1C=CC=CC=1 |
|
| MCULE-3101775347 |
0.64 |
OC([C@H]1N(CCCOCCC2C=CC=CC=2)CCC1)=O |
|
| MCULE-4037898949 |
0.64 |
OC(CCC1CN(C(COCCC2C=CC=CC=2)=O)CCC1)=O |
|
| MCULE-3780756676 |
0.64 |
C1C(O)(C2C=CC=CC=2)CC2COCC1[N+]2(C)C.[I-] |
|
| MCULE-6937425472 |
0.64 |
OC([C@@H]1N(CCCOCCC2=CC=CC=C2)CCC1)=O |
|
| MCULE-1139847113 |
0.64 |
COC(C12CN(CCCOCCC3=CC=CC=C3)CC1CCC2)=O |
|
| MCULE-1750058510 |
0.64 |
OC(C1N(CCCOCCC2C=CC=CC=2)CCC1)=O |
|
| MCULE-9898522090 |
0.64 |
NCCCOC1CCN(C(COCCC2C=CC=CC=2)=O)CC1 |
|
| MCULE-6664159287 |
0.64 |
C(=O)(C(C1=CC=CC=C1)C1C=CC=CC=1)O[C@@H]1CCC[C@H]1N(C)C |
|
| MCULE-8716889615 |
0.64 |
OC(CCCCC(N1CC(OCCCC2C=CC=CC=2)CC1)=O)=O |
|
| MCULE-8205224142 |
0.64 |
C1C(O)(C2C=CC=CC=2)CC2COCC1[N+]2(C)C |
|
| MCULE-1635530481 |
0.64 |
NCC(C1C=CC=CC=1)C(N1CC(C2OCCC2)OCC1)=O |
|
| MCULE-8787377000 |
0.64 |
CCN(C(C1=CC=CC=C1)C(OCCC1OCCC1)=O)C |
|
| MCULE-5338972546 |
0.64 |
CCOCCN1CCC(C2=CC=CC=C2)(C(OCC)=O)CC1 |
|
| MCULE-2631270846 |
0.64 |
Cl.Cl.N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2 |
|
| MCULE-7174164907 |
0.64 |
COC1C(C2N(C(CC3=CC=C(C#N)C=C3)=O)CCOC2)CCC1 |
|
| MCULE-8599273844 |
0.64 |
Cl.Cl.N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2 |
|
| MCULE-1311798850 |
0.64 |
[Cl-].C(=O)(OC(C)C[NH+]1CCCC1)C(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-9934039049 |
0.64 |
C1(CC2=CC=C(CC)C=C2)(OC(CC)=O)C(C)CN(C(C)C1)C |
|
| MCULE-1172911182 |
0.64 |
CO[C@H]1CN(C(COCCC2=CC=CC=C2)=O)[C@H](CO)C1 |
|
| MCULE-9483028950 |
0.64 |
CO[C@@H]1CN(C(COCCC2=CC=CC=C2)=O)[C@H](CO)C1 |
|
| MCULE-6196389689 |
0.64 |
OC(CC1N(C(COCCC2C=CC=CC=2)=O)CCC1)=O |
|
| MCULE-4705921783 |
0.64 |
CC(C(N1C(C)CCCC1C)=O)OC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-2979440861 |
0.64 |
OC(CC1=CC2=C(C=CC=C2)C=C1)CN1CCC2(CCOCC2)OCC1 |
|
| MCULE-4072352989 |
0.64 |
[Br-].C[N+]1(CC(OC(C(C2C=CC=CC=2)(C2CCCC2)O)=O)CC1)C |
|
| MCULE-7658396138 |
0.64 |
C1(CCCC1)(C1C=CC(=CC=1)Cl)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H] |
|
| MCULE-2886848986 |
0.64 |
O(C([C@@](C1=CC=CC=C1)(C1CCCC1)O)=O)[C@@H]1CC[N+](C)(C)C1.[Br-] |
|
| MCULE-6124243659 |
0.64 |
C(=O)(OC(C)CN1CCCC1)C(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-7181803928 |
0.64 |
C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)O[C@H]1CCC[C@H]1N(C)C |
|
| MCULE-8827991759 |
0.64 |
C1(CCCN1)COCCC1C=CC=CC=1 |
|
| MCULE-2672784927 |
0.64 |
C(=O)(CC1=CC=CC=C1C)N1CCC2(CC1)CC(CCO2)OCC(=O)N(C)C |
|
| MCULE-1595863873 |
0.64 |
C(CC1=CC=C(Cl)C=C1)(=O)OC(C)CN1CCCCC1 |
|
| MCULE-4402039351 |
0.64 |
Cl.C(CC1=CC=C(Cl)C=C1)(=O)OC(C)CN1CCCCC1 |
|
| MCULE-6937947127 |
0.64 |
C(=O)(C(C1=CC=CC=C1)C1C=CC=CC=1)OC1CCCC1N(C)C |
|
| MolPort-046-793-339 |
0.64 |
O[C@H]1[C@@H](O)[C@H](Oc2ccc3CC4NCCc5cccc(c45)-c3c2O)O[C@@H]([C@H]1O)C(O)=O |
|
| MCULE-3864931227 |
0.64 |
[I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C1(CCCC1)C1C=CC(Cl)=CC=1)C |
|
| MolPort-046-793-339 |
0.64 |
O[C@H]1[C@@H](O)[C@H](Oc2ccc3CC4NCCc5cccc(c45)-c3c2O)O[C@@H]([C@H]1O)C(O)=O |
|
| MCULE-6504606476 |
0.64 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C1(CCCC1)C1C=CC(Cl)=CC=1)C |
|
| MCULE-5097215603 |
0.64 |
C(=O)(C(O)(C1CCCC1)C1=CC=CC=C1)OC1[C@@]2([H])CCC[C@]1([H])CN(C)C2 |
|
| MCULE-2017122821 |
0.64 |
C1C=C(C(O)(C2CCCC2)C(=O)OC2CC[N+](CC(=O)O)(C)C2)C=CC=1.[Br-] |
|
| MCULE-3526099963 |
0.64 |
Cl.C1(CC2=CC=C(CC)C=C2)(OC(CC)=O)C(C)CN(C(C)C1)C |
|
| MCULE-1073138870 |
0.64 |
OCC1(NC2CC(CC3=CC=CC=C3)CC2)COCC1 |
|
| MCULE-8166620290 |
0.64 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC2(CC1)CC(CCO2)CC(=O)N1CCOCC1 |
|
| MCULE-9244714361 |
0.64 |
C1(C2C=CC=CC=2)(C(=O)NCC2CCC3(CCN(CC3)C(=O)CC3C=CC=CC=3)O2)CC1 |
|
| MCULE-3832120381 |
0.64 |
COC1CC2C(OCCN2CC(C2=CC=CC=C2)(C(N)=O)O)CC1 |
|
| MCULE-1772208381 |
0.64 |
N1(CCC2(CC1)CC(CCO2)CC(=O)N1CCOCC1)C(=O)CC1=CC=CC(C)=C1 |
|
| MCULE-7945390739 |
0.64 |
C(=O)(C(CC)C1=CC=CC=C1)N1C2CCCC1COC2 |
|
| MCULE-7095205171 |
0.64 |
COCC(C1=CC=CC=C1)NC1CC2(CCCC2)OCC1 |
|
| MolPort-039-338-460 |
0.63 |
COc1cc2CC[N+](C)(C)[C@@H](Cc3ccc(O)cc3)c2cc1O |
|
| MolPort-001-728-096 |
0.63 |
COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1OC |
|
| MolPort-046-594-389 |
0.63 |
COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4C3Cc2cc1O |
|
| MolPort-023-220-751 |
0.63 |
COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O |
|
| MolPort-046-765-755 |
0.63 |
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O[C@@H]2OC([C@H](O)C(O)C2O)C(O)=O)c(O)c-31 |
|
| MolPort-001-728-116 |
0.63 |
COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1OC |
|
| MolPort-001-728-132 |
0.63 |
COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1OC |
|
| MolPort-000-881-248 |
0.63 |
COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O |
|
| MolPort-046-158-432 |
0.63 |
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1OC |
|
| MolPort-001-728-151 |
0.63 |
COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC |
|
| MolPort-002-800-513 |
0.63 |
COc1c2OCOc2cc2CC[N+](C)(C)C(Cc3ccc4OCOc4c3)c12 |
|
| MCULE-3694788586 |
0.63 |
NC(CC1=CC=C(CNC2C3(CCCC3)OCC2)C=C1)=O |
|
| MolPort-046-153-752 |
0.63 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O |
|
| MCULE-1819999048 |
0.63 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(=O)CC1C=CC(=CC=1)OCC |
|
| MolPort-005-932-651 |
0.63 |
COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |
|
| MCULE-1244706575 |
0.63 |
N1(CCC2(CC1)CC(CCO2)CC(=O)N1CCOCC1)C(=O)CC1C=CC=C(F)C=1 |
|
| MolPort-005-981-212 |
0.63 |
COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
|
| MCULE-8997630664 |
0.63 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCOCC1)C(CCC1=CC=CC=C1)=O |
|
| MolPort-046-158-434 |
0.63 |
COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1O |
|
| MCULE-1278756931 |
0.63 |
CC1(NC(COCCC2C=CC=CC=2)=O)C(C(=O)O)CCCC1 |
|
| MolPort-042-682-691 |
0.63 |
COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
|
| MCULE-5706880350 |
0.63 |
C1[C@]2(C)C[C@@H](C)[C@@](C)(O2)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H] |
|
| MolPort-027-720-900 |
0.63 |
[Cl-].COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O |
|
| MCULE-4241737086 |
0.63 |
[C@H]12C[C@@H](CC[C@@]1(OC)CCN2CCCC1=CC=CC=C1)OCC(O)=O |
|
| MolPort-002-711-488 |
0.63 |
COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC |
|
| MCULE-1145944979 |
0.63 |
O=C(N1CCC(OCCC2C=CC=CC=2)CC1)CC1NCCOC1 |
|
| MolPort-046-594-389 |
0.63 |
COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4C3Cc2cc1O |
|
| MCULE-5678883417 |
0.63 |
C(=O)(CC1=CC=C(C=C1)F)N(C)CC1(O)CCOC2(CCNCC2)C1 |
|
| MolPort-023-220-751 |
0.63 |
COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O |
|
| MCULE-4666733761 |
0.63 |
[C@@]12([H])N(C)[C@@]([H])(C[C@H](O)C1)[C@@]1([H])[C@]2([H])O1 |
|
| MolPort-046-765-755 |
0.63 |
CN1CCc2cccc-3c2[C@H]1Cc1ccc(O[C@@H]2OC([C@H](O)C(O)C2O)C(O)=O)c(O)c-31 |
|
| MCULE-3335640504 |
0.63 |
[C@H]12C[C@H](CC[C@@]1(OC)CCN2CCCC1=CC=CC=C1)OCC(O)=O |
|
| MolPort-027-720-900 |
0.63 |
[Cl-].COc1cc2C[N+]3(C)CCc4cc(OC)c(O)cc4[C@@H]3Cc2cc1O |
|
| MCULE-9818528260 |
0.63 |
C(C(=O)OC1CC[N+](C)(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MolPort-046-158-434 |
0.63 |
COc1cc2CCN(C)[C@H](Cc3ccc(O)cc3)c2cc1O |
|
| MCULE-9335765754 |
0.63 |
[I-].C(C(=O)OC1CC[N+](C)(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MolPort-046-158-432 |
0.63 |
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1OC |
|
| MCULE-6647270445 |
0.63 |
CCOC(C(C1=CC=CC=C1)N1CC2(C(C)OCC2)OCC1)=O |
|
| MolPort-042-682-691 |
0.63 |
COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
|
| MCULE-5325063308 |
0.63 |
C[C@@H](C1=CC=CC=C1)C(OC1C(C)(C)CNC1=O)=O |
|
| MolPort-039-338-460 |
0.63 |
COc1cc2CC[N+](C)(C)[C@@H](Cc3ccc(O)cc3)c2cc1O |
|
| MCULE-1242184754 |
0.63 |
OC(C1CCC(C(N2CCC(OCCC3=CC=CC=C3)CC2)=O)CC1)=O |
|
| MolPort-046-153-752 |
0.63 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4O |
|
| MCULE-2455693144 |
0.63 |
COC1C(C2N(C(CC3C=CC(C(=O)O)=CC=3)=O)CCOC2)CCC1 |
|
| MCULE-1498412011 |
0.63 |
CC1N(C(COCCC2C=CC=CC=2)=O)CC(C(=O)O)CC1 |
|
| MCULE-2287682058 |
0.63 |
OC(CCC1N(C(COCCC2C=CC=CC=2)=O)CCCC1)=O |
|
| MCULE-9800595458 |
0.63 |
N1(CCC2(CC1)CC(OC)CCO2)C(=O)CC1C=CC=CC=1 |
|
| MCULE-3880372049 |
0.63 |
C1(C(C2(O)CCCC2)C(OCCN(CC)CC)=O)=CC=CC=C1 |
|
| MCULE-7799781303 |
0.63 |
CC(C(=O)O)N1CCC(OCCC2C=CC=CC=2)CC1 |
|
| MCULE-7728528645 |
0.63 |
COC(C1=CC=CC=C1)CN1C(C2C(O)CCOC2)CCC1 |
|
| MCULE-1115142178 |
0.63 |
C(C1=CC=CC=C1)(C1CCCCN1)C(OCC)=O |
|
| MCULE-4701259140 |
0.63 |
Cl.C(C1=CC=CC=C1)(C1CCCCN1)C(OCC)=O |
|
| MCULE-1424518458 |
0.63 |
NC(C(C1=CC=CC=C1)(CN1CC(C2CCC2)COCC1)O)=O |
|
| MCULE-6939134784 |
0.63 |
OC(CC1=CC2=C(C=CC=C2)C=C1)CN1C(C2CC2)C2(OCCC2)C1 |
|
| MCULE-9051605678 |
0.63 |
O=C(N1CC(OCCCC2C=CC=CC=2)CC1)CC1CC2NC(CC2)C1 |
|
| MCULE-1965232927 |
0.63 |
OC1C(C2N(C(CC3=CC=C(C#N)C=C3)=O)CCOC2)CCC1 |
|
| MCULE-9023301562 |
0.63 |
C[C@H]1N(C(COCCC2C=CC=CC=2)=O)CCC[C@H]1C(=O)O |
|
| MCULE-4057466366 |
0.63 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)CC1C=C(F)C=C(F)C=1 |
|
| MCULE-9486631704 |
0.63 |
OC1(CCN(CC2OC(=O)C3(CC3)C2)CC1)CC1=C(F)C=CC=C1 |
|
| MCULE-2992645369 |
0.63 |
C(CC1C=CC(=CC=1)C1C=CC=CC=1)(=O)NC1COC2(CCNCC2)C1 |
|
| MCULE-5634191971 |
0.63 |
[H]Cl.C1(C(C2(O)CCCC2)C(OCCN(CC)CC)=O)=CC=CC=C1 |
|
| MCULE-2674605772 |
0.63 |
CN1C2C3C(C1CC(C2)O)O3 |
|
| MCULE-1347890165 |
0.63 |
N1(CCC2(CC1)CC(OCC)CCO2)C(=O)CC1C=CC=CC=1 |
|
| MCULE-6152480598 |
0.63 |
[C@H]12C[C@@H](OCCO)CC[C@@]1(OC)CCN2CCC1C=CC=CC=1 |
|
| MCULE-7446570588 |
0.63 |
OC(C1(CCCCC1)CNC(COCCC1C=CC=CC=1)=O)=O |
|
| MCULE-6106106893 |
0.63 |
N1(CCC2(CC1)OCCC(C2)N1CCOCC1)C(CCC1=CC=CC=C1)=O |
|
| MCULE-8430947851 |
0.63 |
CC(C1=CC=CC=C1)(CCC(N1C(C2C(O)CCC2)COCC1)=O)C |
|
| MCULE-7518102107 |
0.63 |
C1(O)(C(C)CN(C(C)C1)C)C(C1C=CC=CC=1)C(OC)=O |
|
| MCULE-7959117185 |
0.63 |
FC1=CC=C(C2(C(OCC(NC3CCCCCC3)=O)=O)CCCC2)C=C1 |
|
| MCULE-4304056110 |
0.63 |
C(=O)(OC1CCN(CC1)C)C(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-2986488119 |
0.63 |
C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1 |
|
| MCULE-6449205336 |
0.63 |
O=C(NC1CCCCCC1)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-9387827144 |
0.63 |
CC(C(NC1C(C)CCCC1)=O)OC(CC1=CC=C(F)C=C1)=O |
|
| MCULE-1541681257 |
0.63 |
FC1=CC=C(CC(OCC(NC2CCCCCC2)=O)=O)C=C1 |
|
| MCULE-4013776141 |
0.63 |
CC1N(C(COC(CC2=CC=C(F)C=C2)=O)=O)C(C)CCC1 |
|
| MCULE-3764635705 |
0.63 |
C1OCC2CC(OCC3C=CC=CC=3)CC1[N+]2(C)C.[I-] |
|
| MCULE-8499716740 |
0.63 |
C(CC1C=CC(OC)=CC=1)(=O)OC(C)CN1CCCCC1 |
|
| MCULE-7421953357 |
0.63 |
Cl.C(=O)(OC1CCN(CC1)C)C(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-9276267875 |
0.63 |
N1(CCCCCC1)C(C1C=CC=CC=1)C(OCCC)=O |
|
| MCULE-7328611765 |
0.63 |
[C@@]12(COC)CC[C@H](C[C@H]1CCN(CCC1C=CC=CC=1)C2)N1CCOCC1 |
|
| MCULE-6129779409 |
0.63 |
C1(=CC=CC2=CC=CC=C12)CC1CN(CCO1)CCC(OC)=O |
|
| MCULE-8737632616 |
0.63 |
CCOC(C1CCN(CCCOCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-9804404493 |
0.63 |
N1(CCOC2CCCCC12)C(=O)CC1=CC=CC=C1 |
|
| MCULE-8814230180 |
0.63 |
Cl.OC([C@@H]1N(CCCOCCC2=CC=CC=C2)CCC1)=O |
|
| MCULE-6089110254 |
0.63 |
C1(C2C=CC=CC=2)(CCC(C2C=CC=CC1=2)C(=O)OC1CC2CCC([N+]2(C)CC)C1)C(=O)OC1CC2CCC([N+]2(C)CC)C1 |
|
| MCULE-6094150301 |
0.63 |
COC1=CC=C(CC(OC2CN(C)CCC2)=O)C=C1 |
|
| MCULE-4938609657 |
0.63 |
Cl.N1(CCCCCC1)C(C1C=CC=CC=1)C(OCCC)=O |
|
| MCULE-8827794393 |
0.63 |
C1(NC(CCCCCCCCCCCCCC)=O)C(OC(CC2=CC=CC=C2)=O)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O |
|
| MCULE-2675661625 |
0.63 |
C(=O)(OCC(=O)NC1CCCCC1)C(CC)C1C=CC=CC=1 |
|
| MCULE-6780665103 |
0.62 |
OC(CN1CCC(OCCC2C=CC=CC=2)CC1)=O |
|
| MCULE-9506552509 |
0.62 |
C(=O)(CC1CCOC2(CCN(CC2)C(CCCC2C=CC=CC=2)=O)C1)N1CCOCC1 |
|
| MCULE-1157962937 |
0.62 |
C(CC1=CC=CC=C1)CN1[C@H]2[C@H](COC2)C2(CCNCC2)C1 |
|
| MCULE-5000239110 |
0.62 |
O=C(N1CC(OCCCC2=CC=CC=C2)CC1)CCC1CCNCC1 |
|
| MCULE-8674663786 |
0.62 |
N1(CCC2(CC1)OCCC(COC)(O)C2)C(=O)CC1=CC=CC(C)=C1 |
|
| MCULE-9675179574 |
0.62 |
O[C@@H](CC1=CC=CC=C1)CN1CCC(OC2CCCCC2)CC1 |
|
| MCULE-6282711328 |
0.62 |
N1(CCC2(CC1)OCCC(COC)(O)C2)C(=O)CC1=CC=C(C=C1)F |
|
| MCULE-1294831600 |
0.62 |
N1(CCC2(CC1)OCCC(COC)(O)C2)C(=O)CC1C=CC(=CC=1)C |
|
| MCULE-1241263810 |
0.62 |
C1C(C2OCC3(NCCOC3)C2)C1 |
|
| MCULE-6712026798 |
0.62 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(CCC1=CC=CC=C1)=O |
|
| MCULE-2664513256 |
0.62 |
N1(CCC2(CC1)OCCC(CC)(O)C2)C(=O)CC1=CC=C(C=C1)F |
|
| MCULE-4904414217 |
0.62 |
CC(C1C2CC(CC2)C1)NC(C(OC(C1(C2=CC(F)=CC=C2)CCCC1)=O)C)=O |
|
| MCULE-8998765336 |
0.62 |
OC1C(C2N(C(CC3=C(F)C(F)=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-7541171190 |
0.62 |
C1(C2C=CC=CC=2)(CC1)C(=O)N1CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12 |
|
| MCULE-6929360900 |
0.62 |
OC(C1CCC(C(NCCCOCCC2=CC=CC=C2)=O)CC1)=O |
|
| MCULE-1015438163 |
0.62 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)CC1C=CC(=CC=1)Cl |
|
| MCULE-4751392649 |
0.62 |
C12CCCCC1N(CCC2OC(C)=O)CCOC |
|
| MCULE-4150294475 |
0.62 |
O=C(NC1CCCCCCC1)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-3650665688 |
0.62 |
OC1C(C2N(C(CC3CC(C4=CC=CC=C4)C3)=O)CCOC2)CCC1 |
|
| MCULE-9724981994 |
0.62 |
CC1(NCC(C2=CC=CC=C2)(C(N)=O)O)C(C2CC2)OCC1 |
|
| MCULE-5051735893 |
0.62 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)CC1C=CC=CC=1F |
|
| MCULE-1901736661 |
0.62 |
[C@H]12C[C@H](OCCO)CC[C@@]1(OC)CCN2CCCC1=CC=CC=C1 |
|
| MCULE-9377247737 |
0.62 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)CC1C=CC(=C(F)C=1)F |
|
| MCULE-8744310272 |
0.62 |
CCC(C(C1=CC=CC=C1)C(OC(C(NC1CCCC1)=O)C)=O)C |
|
| MCULE-3549846142 |
0.62 |
C1=CC=C(C=C1)C(C1=CC=CC=C1)COCC(O)CN1C(C)(C)CC(O)CC1(C)C |
|
| MCULE-7255203088 |
0.62 |
C(=O)(CC1=CC=CC=C1F)N1CCC2(CC1)CC(CCO2)CC(=O)N1CCOCC1 |
|
| MCULE-4785336657 |
0.62 |
C1CC(OC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CN(CC)C1 |
|
| MCULE-5627800345 |
0.62 |
C(COC(CC1C=CC(=CC=1)C)=O)(=O)NC1CCCCC1 |
|
| MCULE-1901872108 |
0.62 |
CC12CN(C(COC(C3(C4=CC=C(F)C=C4)CCCC3)=O)=O)C(CC(C1)(C)C)C2 |
|
| MCULE-9139356268 |
0.62 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC(C)CC1C=CC=C(C)C=1)=O |
|
| MCULE-8354033270 |
0.62 |
N1(CCO[C@@]2(C[C@@H]3CC[C@@H](N3)C2)C1)C(CCC1=CC=C(C=C1)O)=O |
|
| MCULE-7641517013 |
0.62 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)CC1C=CC(=C(C)C=1)F |
|
| MCULE-1319264379 |
0.62 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)CC1C=C(C)C=CC=1C |
|
| MCULE-3919777690 |
0.62 |
N1(CCCC1)C(=O)COC1CCOC2(CCN(CC2)CC2=CC=C(C=C2)CC)C1 |
|
| MCULE-8589679361 |
0.62 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(=O)CC1C=CC=C(OC)C=1 |
|
| MCULE-7156446245 |
0.62 |
CC(C1=CC=CC=C1)(C(O)=O)CNC(C1OCCCC1)=O |
|
| MCULE-8193927815 |
0.62 |
C1(C=CC=CC=1)C(C(C)CC)C(=O)OC1CC[N+](C)(C)CC1.S([O-])(=O)(=O)C |
|
| MCULE-3769092500 |
0.62 |
C1(C2C=CC=CC=2)(CC1)C(=O)N1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 |
|
| MCULE-9432103602 |
0.62 |
[I-].C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1 |
|
| MCULE-4726200235 |
0.62 |
FC1=CC=C(C2(C(OCC(N3CCCCCC3)=O)=O)CCCC2)C=C1 |
|
| MCULE-6964101640 |
0.62 |
C(C(OCCC1C=CC=CC=1)=O)(N1CCOCC1)CC(O)=O |
|
| MCULE-3938094123 |
0.62 |
N1(CC[C@]2(OC)CC[C@@H](O)C[C@H]12)C(=O)CC1=CC=CC2=CC=CC=C12 |
|
| MCULE-9863489454 |
0.62 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC(CC1)N1CC(OCC2CC2)C21CCOCC2 |
|
| MCULE-8048355694 |
0.62 |
CC1=CC(CCC(N2C(C3C(O)CCC3)COCC2)=O)=CC(C)=C1 |
|
| MCULE-1211352766 |
0.62 |
C12CCCCC1N(CCC2OC(C)=O)CCOC.[H]Cl |
|
| MolPort-005-135-624 |
0.62 |
Oc1ccc(cc1CN1CCc2ccccc2C1)-c1ccc2OCOc2c1 |
|
| MolPort-001-770-233 |
0.62 |
Cl.COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC |
|
| MolPort-002-500-281 |
0.62 |
Cl.COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |
|
| MolPort-046-690-894 |
0.62 |
Cl.COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
|
| MolPort-038-384-918 |
0.62 |
Cl.COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |
|
| MolPort-000-756-471 |
0.62 |
[I-].[I-].COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)cc2)cc1 |
|
| MolPort-001-728-114 |
0.62 |
COc1c2OCOc2cc2CCN(C)C(C3c4ccccc4-c4ccc(cc34)C(C)=O)c12 |
|
| MolPort-046-763-411 |
0.62 |
Cl.COc1cc2CCN[C@@H](Cc3ccc(O)c(O)c3)c2cc1O |
|
| MolPort-019-904-720 |
0.62 |
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O |
|
| MolPort-046-763-847 |
0.62 |
Cl.COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O |
|
| MolPort-001-728-103 |
0.62 |
COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-001-728-168 |
0.62 |
COc1cc2CCN3Cc4c(ccc(OC)c4OC)C(C)C3c2cc1OC |
|
| MolPort-039-052-373 |
0.62 |
COc1cc2CCN3Cc4c(ccc(OC)c4OC)C(C)[C@@H]3c2cc1OC |
|
| MolPort-000-487-312 |
0.62 |
COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-044-649-467 |
0.62 |
COc1cc2C3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O |
|
| MolPort-046-790-508 |
0.62 |
COc1cc2CCN3Cc4c(ccc(O)c4OC)[C@H](C)[C@@H]3c2cc1OC |
|
| MolPort-000-882-010 |
0.62 |
COc1cc2[C@H]3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O |
|
| MolPort-019-996-257 |
0.62 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |
|
| MolPort-000-881-202 |
0.62 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-001-740-784 |
0.62 |
COc1cc2CCN3Cc4c(ccc(OC)c4OC)[C@H](C)[C@@H]3c2cc1OC |
|
| MolPort-023-332-930 |
0.62 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |
|
| MolPort-001-728-102 |
0.62 |
COc1cc2CC[NH+]3Cc4c(CC3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-039-052-634 |
0.62 |
COc1cc2[C@@H]3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O |
|
| MolPort-001-728-064 |
0.62 |
COc1ccc(CC2N(C)CCc3cc(O)c(O)cc23)cc1OC |
|
| MolPort-046-690-082 |
0.62 |
Cl.COc1cc2CCN(C)[C@@H](Cc3ccc(O)c(O)c3)c2cc1O |
|
| MolPort-000-731-845 |
0.62 |
[I-].COc1cc2CC[N+](C)(C)C(Cc3ccc(O)cc3)c2cc1OC |
|
| MolPort-046-763-847 |
0.62 |
Cl.COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O |
|
| MolPort-019-996-257 |
0.62 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(O)c4OC |
|
| MolPort-039-052-634 |
0.62 |
COc1cc2[C@@H]3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O |
|
| MolPort-039-052-373 |
0.62 |
COc1cc2CCN3Cc4c(ccc(OC)c4OC)C(C)[C@@H]3c2cc1OC |
|
| MolPort-044-649-467 |
0.62 |
COc1cc2C3Cc4ccc(OC)c(OC)c4CN3CCc2cc1O |
|
| MolPort-023-332-930 |
0.62 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(OC)c4OC |
|
| MolPort-044-722-868 |
0.62 |
Cl.COc1cc2CC(C)(C)NC(Cc3ccccc3)c2cc1OC |
|
| MolPort-046-763-411 |
0.62 |
Cl.COc1cc2CCN[C@@H](Cc3ccc(O)c(O)c3)c2cc1O |
|
| MolPort-046-790-508 |
0.62 |
COc1cc2CCN3Cc4c(ccc(O)c4OC)[C@H](C)[C@@H]3c2cc1OC |
|
| MolPort-046-690-894 |
0.62 |
Cl.COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(O)cc23)cc1O |
|
| MolPort-046-690-082 |
0.62 |
Cl.COc1cc2CCN(C)[C@@H](Cc3ccc(O)c(O)c3)c2cc1O |
|
| MolPort-038-384-918 |
0.62 |
Cl.COc1ccc(C[C@@H]2NCCc3cc(OC)c(OC)cc23)cc1OC |
|
| MolPort-019-904-720 |
0.62 |
COc1cc2CCN[C@@H](Cc3ccc(O)cc3)c2cc1O |
|
| MolPort-044-722-868 |
0.62 |
Cl.COc1cc2CC(C)(C)NC(Cc3ccccc3)c2cc1OC |
|
| MolPort-009-758-169 |
0.62 |
I.COc1cc2CC[N+](C)(C)[C@H](Cc3ccc([O-])cc3)c2cc1OC |
|
| MCULE-1745253290 |
0.62 |
CCC(C(NCC(C1=CC=CC=C1)(C(O)=O)C)=O)OC1CCCCC1 |
|
| MCULE-7473242519 |
0.62 |
O=C(O[C@H]1CN(CC2=CC=CC=C2)CC1)CC1OCCC1 |
|
| MCULE-2261861480 |
0.62 |
FC1=CC=C(C2(C(OCC(NC34CC5CC(CC(C5)C3)C4)=O)=O)CCCC2)C=C1 |
|
| MCULE-1685530963 |
0.62 |
C(=O)(CC1=CC=CC2=CC=CC=C12)N1C2COCC1CC2 |
|
| MCULE-3036081505 |
0.62 |
OC(C1(NC(CCCOCCC2C=CC=CC=2)=O)COCC1)=O |
|
| MCULE-8774366266 |
0.62 |
C1=C(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)C=CC(OC)=C1OC |
|
| MCULE-4680642389 |
0.62 |
CC(C1CCNCC1)CC(N1CC(OCCCC2C=CC=CC=2)CC1)=O |
|
| MCULE-2736698062 |
0.62 |
N1(CCOC(CC2=CC=C(C=C2)F)C1)C1CCOCC1 |
|
| MCULE-5782170240 |
0.62 |
CC(C1CNCCC1)CC(N1CC(OCCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-1117346006 |
0.62 |
[NH+]1(CCC2C=CC=CC=2)C2CCC1CC(OC(=O)CCCl)C2 |
|
| MCULE-7737045309 |
0.62 |
CCC(C(NCC(C1C=CC=CC=1)C(=O)O)=O)OC1CCCCC1 |
|
| MCULE-8138429694 |
0.62 |
OC(CC1(NC(COCCC2C=CC=CC=2)=O)CCCC1)=O |
|
| MCULE-6370365361 |
0.62 |
N1(CCCCCC1)C(C1=CC=CC=C1)C(OCC)=O |
|
| MCULE-4840714354 |
0.62 |
C12(CCN(CC1)C(=O)CC1C=CC3C(=CC=CC=3)C=1)[C@@H](OCCN(C)C)C[C@H]2O |
|
| MCULE-2422038980 |
0.62 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(CC1C=CC(=C(Br)C=1)OC)=O |
|
| MCULE-6454564364 |
0.62 |
OC(C1CCC(NC(COCCC2C=CC=CC=2)=O)CC1)=O |
|
| MCULE-3653643726 |
0.62 |
OC(C1=CC=CC=C1)C(N1CCC2(CCOCC2)OCC1)=O |
|
| MCULE-7472396517 |
0.62 |
CC(C(NC1CCCCC1)=O)OC(CC1=CC=C(F)C=C1)=O |
|
| MCULE-6812949084 |
0.62 |
C1(NC(C)=O)C(OC(CC2C=CC=CC=2)=O)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O |
|
| MCULE-6867026520 |
0.62 |
OC(C1CCC(C(N2CC(CC3C=CC=CC=3)OCC2)=O)CC1)=O |
|
| MCULE-6833801419 |
0.62 |
OC(CCCCC(N1CC(CC2C=CC=CC=2)OCC1)=O)=O |
|
| MCULE-9561770833 |
0.62 |
N1(CCC2(CC1)CCCO2)C(C1=CC=CC=C1)C(O)=O |
|
| MCULE-8947736099 |
0.62 |
OC1C(C2N(C(CC3=C(F)C=CC(F)=C3)=O)CCOC2)CCC1 |
|
| MCULE-3630172217 |
0.62 |
C1CC2C(CCCN2CC1)COC(=O)CN1CCOCC1 |
|
| MCULE-7710673729 |
0.62 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N(C)C)C(CCC1=CC=CC=C1)=O |
|
| MCULE-2781218490 |
0.62 |
N12CCOC(CCC(=O)OC(CC1(C)C)CC2(C)C)=O |
|
| MCULE-8543913392 |
0.62 |
C(CC1C=CC(OC)=CC=1)(=O)OC(C)CN1CCCCC1.Cl |
|
| MCULE-7735206668 |
0.62 |
OC(CCCCN1CCC(OCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-9079946344 |
0.62 |
OC(CCN1CC(OCCCC2C=CC=CC=2)CC1)=O |
|
| MCULE-6523711881 |
0.62 |
O=C(NC1CCCCC1)COC(C1(C2=CC=CC=C2)CCCC1)=O |
|
| MCULE-2114110327 |
0.62 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCCN(CC)CC)=O |
|
| MCULE-3863672905 |
0.62 |
CC[N+]1(CC(OC(C(C2=CC=CC=C2)(C2=CC=CC=C2)O)=O)CCC1)CC |
|
| MCULE-1311244199 |
0.62 |
[Cl-].[NH+]1(C)CCCC(C1)OC(CC1=CC=C(OC)C=C1)=O |
|
| MCULE-6422590801 |
0.62 |
C(O)(=O)C(O)=O.C(=O)(C(C1C=CC=CC=1)C1C=CC=CC=1)O[C@H]1CCC[C@H]1N(C)C |
|
| MCULE-7197245900 |
0.62 |
C1(C2C=CC=CC=2)(CCC(C2C=CC=CC1=2)C(=O)OC1CC2CCC([N+]2(C)CC)C1)C(=O)OC1CC2CCC([N+]2(C)CC)C1.[Cl-].[Cl-] |
|
| MCULE-7258734145 |
0.62 |
[NH+]1(CCC2C=CC=CC=2)C2CCC1CC(OC(=O)CCCl)C2.[Cl-] |
|
| MCULE-8403025161 |
0.62 |
O[C@@H]1C[C@@]2([H])N(C)[C@@]([C@]3([C@]2([H])O3)[H])([H])C1.Cl |
|
| MCULE-9168847239 |
0.62 |
CCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@]2([H])N(CC[C@H]2O)C1 |
|
| MCULE-6481649702 |
0.62 |
OC(C1CC(C(N2CC(OCCCC3=CC=CC=C3)CC2)=O)CCC1)=O |
|
| MCULE-3240212406 |
0.62 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)CC(C)C1=CC=CC=C1 |
|
| MCULE-2807762108 |
0.62 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCC[N+](CC)(CC)CC)=O |
|
| MCULE-8573545909 |
0.62 |
[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(CC1C=CC(=C(Br)C=1)OC)=O)C |
|
| MCULE-6993268975 |
0.62 |
C(C1C=CC=CC=1)(C1C=CC=CC=1)(O)C(=O)OC1C[N+]2(C)CCC1CC2 |
|
| MCULE-9540265389 |
0.62 |
OC(C1C2(CCN(C(COCCC3C=CC=CC=3)=O)CC2)C1)=O |
|
| MCULE-2285289637 |
0.62 |
C(O)(C1CCCCC1)(C1=CC=CC=C1)C(OCCCN1CCCC1)=O |
|
| MCULE-4960002682 |
0.62 |
C(=O)(C(C1=CC=CC=C1)C1=CC=CC=C1)OC1CCCC1[NH+](C)C.C(=O)([O-])C(O)=O |
|
| MCULE-9334185410 |
0.62 |
OC(CCCCC(N1CCC(OCCC2C=CC=CC=2)CC1)=O)=O |
|
| MCULE-1413500806 |
0.62 |
OC(C(C1CCOCC1)CNC(COCCC1C=CC=CC=1)=O)=O |
|
| MCULE-5364926516 |
0.62 |
COC1CC2C(OCCN2CCC(C2=CC=C(F)C=C2)=O)CC1 |
|
| MCULE-4282119988 |
0.62 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCC[N+](C)(CC)CC)=O |
|
| MCULE-9621878892 |
0.62 |
OC([C@H]1[C@@H](NC(COCCC2C=CC=CC=2)=O)CCC1)=O |
|
| MCULE-6142744128 |
0.62 |
COC1C=CC(CCO[C@@H]2CCCC[C@H]2N2C[C@H](O)CC2)=CC=1OC |
|
| MCULE-5589743327 |
0.62 |
OC(C(C1C=CC=CC=1)CNC(C1OCCCC1)=O)=O |
|
| MCULE-3853429821 |
0.62 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCC1C=CC=CC=1)=O |
|
| MCULE-2974917831 |
0.62 |
C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O |
|
| MCULE-6829582666 |
0.62 |
Cl[H].C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O |
|
| MCULE-2941879462 |
0.62 |
CC1(N(C(COCCC2=CC=CC=C2)=O)CC(O)C1)CO |
|
| MCULE-5845854445 |
0.61 |
O=C(C1(C2C=CC=CC=2)CCCCC1)OCCN1CCOCC1 |
|
| MCULE-9073491082 |
0.61 |
NC(C(C1=CC=CC=C1)(CN1C(C2OCCC2)CCC1)O)=O |
|
| MCULE-7727914959 |
0.61 |
OC1C(C2N(C(CC3=CC(Cl)=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-1722190829 |
0.61 |
FC1=C(CC(OC2CCN(CC(F)(F)F)CC2)=O)C=CC=C1 |
|
| MCULE-6603031175 |
0.61 |
CC(C(C(C1=CC=CC=C1)NC1CC2(CCC2)OC1)O)C |
|
| MCULE-5557307254 |
0.61 |
OC1C(C2N(C(CCC3=CC=C(F)C=C3)=O)CCOC2)CCC1 |
|
| MCULE-3062868292 |
0.61 |
COC1=CC=C(CC(N2C(C3C(O)CCC3)COCC2)=O)C=C1 |
|
| MCULE-6401783898 |
0.61 |
CCC1=CC=C(CCC(N2C(C3C(O)CCC3)COCC2)=O)C=C1 |
|
| MCULE-2690580537 |
0.61 |
CC(C(N1CC2C(C2)C1)=O)OCCC1=CC=CC=C1 |
|
| MCULE-3471123133 |
0.61 |
CC(OC(C(C1=CC=CC=C1)CN1CCC(O)(C)CC1)=O)(C)C |
|
| MCULE-4504231595 |
0.61 |
FC1=CC(C2(C(OCC(N(C3CCCCC3)C3CCCCC3)=O)=O)CCCC2)=CC=C1 |
|
| MCULE-5056559358 |
0.61 |
CC(C1=CC=C(F)C=C1)(C(N1C(C2C(O)CCOC2)CCC1)=O)C |
|
| MCULE-9051371813 |
0.61 |
CC(C(NC1C(C)CCCC1)=O)OC(CC1=CC(C)=C(C)C=C1)=O |
|
| MCULE-8896846852 |
0.61 |
O=C(NC1CCCCCCC1)COC(CC1=CC=C(C2=CC=CC=C2)C=C1)=O |
|
| MCULE-8030008242 |
0.61 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H] |
|
| MCULE-5087013251 |
0.61 |
OC1C(C2N(C(CC3=C(Cl)C=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-2842495428 |
0.61 |
CC(C1=CC=C(CCC(N2C(C3C(O)CCC3)COCC2)=O)C=C1)C |
|
| MCULE-9879045528 |
0.61 |
C(=O)(CC1=CC=C(C=C1)C1C=CC=CC=1)N1C2COCC1CC2 |
|
| MCULE-7538415290 |
0.61 |
CC1=CC(C2(C(OCC(N3C4C(CCCC4)OCC3)=O)=O)CCC2)=CC(C)=C1 |
|
| MCULE-7930478134 |
0.61 |
CC1(C(C2N(CCOCC(F)(F)F)CCC2)COCC1)O |
|
| MCULE-6453858005 |
0.61 |
C[N+]1(C)CC(OC(C(O)(C2C=CC=CC=2)C2C=CC=CC=2)=O)CCC1 |
|
| MCULE-3032853256 |
0.61 |
OC1=CC(CC(OCC(N2CCCCCCC2)=O)=O)=CC=C1 |
|
| MCULE-6052205967 |
0.61 |
C[N+]1(C)CC(OC(C(O)(C2C=CC=CC=2)C2C=CC=CC=2)=O)CCC1.[Br-] |
|
| MCULE-1273969145 |
0.61 |
C(CC1=CC=CC=C1)COC1CN(CC2CCNCC2)CC1 |
|
| MCULE-8693424443 |
0.61 |
N1(CCCCC1C(OCC)=O)CCCC1C=CC=CC=1 |
|
| MCULE-8572980263 |
0.61 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCC[N+](CC)(CC)CC)=O.[I-] |
|
| MCULE-1668123715 |
0.61 |
[I-].[N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(CC1C=CC(=C(Br)C=1)OC)=O)C |
|
| MCULE-1060550201 |
0.61 |
O(C(C(C1=CC=CC=C1)(C1=CC=CC=C1)O)=O)[C@H]1CCC[N+](C)(C)C1.[Br-] |
|
| MCULE-8560501992 |
0.61 |
CC1N(C(COC(C2(C3=CC(F)=CC=C3)CCCC2)=O)=O)C(C)CCC1 |
|
| MCULE-4452742003 |
0.61 |
CCC1N(C(COC(C2(C3=C(F)C=CC=C3)CCCC2)=O)=O)CCCC1 |
|
| MCULE-5450229590 |
0.61 |
FC1=CC=C(CC(OCC(NC2CCCCC2)=O)=O)C=C1 |
|
| MCULE-7386163548 |
0.61 |
O=C(N1CCCCCC1)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-2622267568 |
0.61 |
O=C(NCC1CCCCC1)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-2255822068 |
0.61 |
FC1=CC(CC(N2C3(CCCCC3)COCC2)=O)=CC=C1 |
|
| MCULE-4949083356 |
0.61 |
O=C(N1C2COCC1CC2)C(C1=CC=CC=C1)C1=CC=CC=C1 |
|
| MCULE-1610299678 |
0.61 |
CC(C1=CC=CC=C1)COCC(N1CC(C(O)=O)CCC1)=O |
|
| MCULE-9771003885 |
0.61 |
OC(C(C1=CC=CC=C1)N1CCC(OCC2OCCCC2)CC1)=O |
|
| MCULE-3184552940 |
0.61 |
OC(CN(C([C@H]1O[C@@H](CC2=CC=CC=C2)CC1)=O)C1CCOCC1)=O |
|
| MCULE-7087774544 |
0.61 |
COC([C@@H]1N(C(CCCOCCC2=CC=CC=C2)=O)CCCC1)=O |
|
| MCULE-7925980962 |
0.61 |
N1(CCCCC1C(OCC)=O)C1CCC(CC1)C1C=CC=CC=1 |
|
| MCULE-8396510535 |
0.61 |
CC1OCCN(CCCOCCC2=CC=CC=C2)C1 |
|
| MCULE-9905438218 |
0.61 |
N1(CCO[C@@]2(C[C@@H]3CC[C@@H](N3)C2)C1)C(CCC1C=CC=C(O)C=1)=O |
|
| MCULE-4932413698 |
0.61 |
N1(CCOCC1)C(=O)COC1CCOC2(CCN(CC2)CC2C=CC(=CC=2)C(C)C)C1 |
|
| MCULE-6868938860 |
0.61 |
N1(CCCCC1)CC(OCCC(C)CCC1C=CC=CC=1)=O |
|
| MCULE-2051357904 |
0.61 |
CCNC1CC(C2COCC2)(C)OC1 |
|
| MCULE-9312333238 |
0.61 |
CCNC1CC(C2COCC2)OC1 |
|
| MCULE-8544124589 |
0.61 |
O[C@@H]1[C@H](O)C[C@@H](NC([C@H]2O[C@@H](CC3=CC=CC=C3)CC2)=O)C1 |
|
| MCULE-3438486180 |
0.61 |
CC(C1=CC(O)=CC=C1)(C(NCC1OC2(CCOCC2)CC1)=O)C |
|
| MCULE-2031887584 |
0.61 |
C(C1(COCC1)CC1=CC=CC=C1)N[C@H]1[C@H]2O[C@H](CC2)C1 |
|
| MCULE-6077616746 |
0.61 |
CC1(CC(C(N2CCC(OCCC3=CC=CC=C3)CC2)=O)(O)C1)C |
|
| MCULE-1085808234 |
0.61 |
C(C1(COCC1)CC1=CC=CC=C1)N1CC(C2OCCC2)OCC1 |
|
| MCULE-3060779390 |
0.61 |
C(=O)(C1CCC(CC1)C)NC(CC(C)C)C(=O)OCC(C1C=CC=CC=1)=O |
|
| MCULE-8356663839 |
0.61 |
O(C(C(C1=CC=CC=C1)(C1=CC=CC=C1)O)=O)[C@H]1CCC[N+](C)(C)C1 |
|
| MCULE-2824543951 |
0.61 |
CC1C(C)C(NC(COC(C2(C3=CC(F)=CC=C3)CCCC2)=O)=O)CCC1 |
|
| MCULE-2835694848 |
0.61 |
C(=O)(OCC(=O)NCC1CCCO1)C(CC)C1=CC=CC=C1 |
|
| MCULE-1924101083 |
0.61 |
Cl.N1(CCCCCC1)C(C1=CC=CC=C1)C(OCC)=O |
|
| MCULE-8320777321 |
0.61 |
[Cl-].C(O)(C1CCCCC1)(C1=CC=CC=C1)C(OCCC[NH+]1CCCC1)=O |
|
| MCULE-4671926549 |
0.61 |
C(=O)(OC(C1=CC=CC=C1)CCN1CCCCC1)C1(CCCC1)C1=CC=CC=C1 |
|
| MCULE-8691017002 |
0.61 |
[I-].C1(CCCC1)(C1C=CC=CC=1)C(OCCC[N+](C)(CC)CC)=O |
|
| MCULE-1131681125 |
0.61 |
[N+]1(CCCCC1)(C)CC(OCCC(C)CCC1C=CC=CC=1)=O |
|
| MCULE-2280650492 |
0.61 |
Cl.C1C(OC)=C(OC)C=CC=1CCO[C@@H]1CCCC[C@H]1N1C[C@H](O)CC1 |
|
| MCULE-3992550536 |
0.61 |
N1(CCOC2CCCCC12)C(=O)CC1C=CC(=CC=1)F |
|
| MCULE-6149244329 |
0.61 |
O=C(NC1CCCC1)COC(C1(C2=CC=CC=C2)CCC1)=O |
|
| MCULE-4927312403 |
0.61 |
C(O)(C1CCCCC1)(CC1C=CC=CC=1)C1CNCCO1 |
|
| MCULE-3402012499 |
0.61 |
C1(CCCN(C(=O)CCN2CCOCC2)C1)(CCCC1C=CC=CC=1)C(OCC)=O |
|
| MCULE-3047590418 |
0.61 |
C(=O)(N(C)CC1CCCCO1)C(C)(C)C1C=CC=CC=1 |
|
| MCULE-7100520207 |
0.61 |
C(=O)(CC1CCOC2(CCN(CC2)C(CCC2=CC=CC=C2)=O)C1)N1CCOCC1 |
|
| MCULE-8476416664 |
0.61 |
[C@]1(O)(C2CCOCC2)CCN(C[C@H]1C)CC1=CC=C(C=C1)CC(O)=O |
|
| MCULE-3843657720 |
0.61 |
BrC1=CC=C(CC(OCC(NC2CCCCCC2)=O)=O)C=C1 |
|
| MCULE-7266892141 |
0.61 |
[H]Cl.O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCC2C=C(OC)C(OC)=CC=2)C1 |
|
| MCULE-5760716092 |
0.61 |
CC1C(NCC(C2=CC=CC=C2)CCO)CC2(CCN(C)CC2)O1 |
|
| MCULE-6690495514 |
0.61 |
CC1(C(OC(CC2=CC=C(I)C=C2)=O)C(=O)NC1)C |
|
| MCULE-4610646653 |
0.61 |
N1(CCC2(CC1)CC(CCO)CCO2)C(=O)CC1C=CC=CC=1 |
|
| MCULE-2064983334 |
0.61 |
N1(CCC2(CC1)OCCC(COC)(O)C2)C(=O)CC1C=CC=C(F)C=1 |
|
| MCULE-1236391693 |
0.61 |
CC(C(NC1CCCCC1)=O)OC(CC1=CC(F)=CC=C1)=O |
|
| MCULE-3753136577 |
0.61 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N(C)C)C(=O)CC1C=CC(=CC=1)OC |
|
| MCULE-1675776257 |
0.61 |
C(CC1=CC=CC=C1)(=O)OC(C)CN1CCOCC1 |
|
| MCULE-9141072368 |
0.61 |
FC1=CC=C(C2(C(OCC(N3CCC(CC4=CC=CC=C4)CC3)=O)=O)CCCC2)C=C1 |
|
| MCULE-3346045195 |
0.61 |
C12(O)CC3C4(C(O)CCC3(CN(CC)C41)COC)C1C3C(C(C1)C(OC)CC23O)OC(C)=O |
|
| MCULE-1875825548 |
0.61 |
CC1N(C(COC(CC2=CC=C(Br)C=C2)=O)=O)C(C)CCC1 |
|
| MCULE-8194106331 |
0.61 |
N1(CCC2(CC1)CC(CCOCC1CC1)CCO2)C(=O)CC1C=CC=CC=1 |
|
| MCULE-7050470482 |
0.61 |
OC1C(C2N(CCOCC(F)(F)F)CCC2)COCC1 |
|
| MCULE-2109730215 |
0.61 |
C(=O)(NC1COC2(CCCCC2)C1)C(C1C=CC=CC=1)=O |
|
| MCULE-3674041110 |
0.61 |
NCC(C1=CC=CC=C1)C(NC1C2OC(CC2)C1)=O |
|
| MCULE-7745168197 |
0.61 |
O=C(NC12CC3CC(C1)CC(C3)C2)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-7402511433 |
0.61 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)CC1=CC=C(C=C1)OC |
|
| MCULE-9243860664 |
0.61 |
COC1CC2C(OCCN2C(C(C2=CC=CC=C2)N)=O)CC1.Cl |
|
| MCULE-1517746369 |
0.61 |
O=C(N1CCC(OCCC2C=CC=CC=2)CC1)C1OCCNC1 |
|
| MCULE-6149440374 |
0.61 |
COC1CC2C(OCCN2C(C(C2=CC=CC=C2)N)=O)CC1 |
|
| MCULE-3598974995 |
0.61 |
FC1=CC=C(C(CCN2CC(C3OCCC3)OCC2)=O)C=C1 |
|
| MCULE-8788133174 |
0.61 |
CCOC1(C(NCC(C2C=CC=CC=2)C(=O)O)=O)CCCC1 |
|
| MCULE-7039221474 |
0.61 |
CC1OC(C)CC(NCC(C2=CC=CC=C2)C(N2CCOCC2)=O)C1 |
|
| MCULE-8356043196 |
0.61 |
CC1CN(C(COCCC2C=CC=CC=2)=O)CC(C(=O)O)C1 |
|
| MCULE-1620356480 |
0.61 |
OC([C@H]1C[C@@H](C(N2CC(OCCCC3C=CC=CC=3)CC2)=O)CC1)=O |
|
| MCULE-3706810471 |
0.61 |
OC(CCCN1CCC(OCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-2953154447 |
0.61 |
O=C(NC1CC2NC(CC2)C1)COCCC1C=CC=CC=1 |
|
| MCULE-4531731976 |
0.61 |
OC(CCCN1CC(OCCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-6066262003 |
0.61 |
OC([C@@H]1CN(C(COCCC2C=CC=CC=2)=O)CCC1)=O |
|
| MCULE-4082527661 |
0.61 |
CC[N+]1(CC(OC(C(C2=CC=CC=C2)(C2=CC=CC=C2)O)=O)CCC1)CC.[Br-] |
|
| MCULE-6671202274 |
0.61 |
C(C1C=CC=CC=1)(C1C=CC=CC=1)(O)C(=O)OC1C[N+]2(C)CCC1CC2.[Br-] |
|
| MCULE-7256698978 |
0.61 |
OC(CCN1CC(CC2C=CC=CC=2)OCC1)=O |
|
| MCULE-6791767636 |
0.61 |
CC1C(OCC(N2CCC(C3C=CC=CC=3)(C(=O)O)CC2)=O)CCCC1 |
|
| MCULE-4642908196 |
0.61 |
CC(C1=CC=CC=C1)CCN1C2(COCC2)COCC1 |
|
| MCULE-8713790641 |
0.61 |
CC1CC(OCC(N2CCC(C3C=CC=CC=3)(C(=O)O)CC2)=O)CCC1 |
|
| MCULE-8852108610 |
0.61 |
Cl.OC(CCN1CC(OCCCC2C=CC=CC=2)CC1)=O |
|
| MCULE-9201285964 |
0.61 |
OC(C(C1COCCC1)NC(CCCOCCC1C=CC=CC=1)=O)=O |
|
| MCULE-7943597901 |
0.61 |
CC1(C(=O)O)CN(C(COCCC2C=CC=CC=2)=O)CCC1 |
|
| MCULE-8364704094 |
0.61 |
C1(C2C=CC(=CC=2)C)(CC1)C(=O)N1CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12 |
|
| MCULE-4970748382 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)CC1C=CC(=CC=1)F |
|
| MCULE-5948488362 |
0.61 |
C1CC(OC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CN(CC)C1.Cl |
|
| MCULE-4466885623 |
0.61 |
C(O)(C1=CC=CC=C1)(C1=CC=CC=C1)C(OCCN1CCCCC1)=O |
|
| MCULE-3423924608 |
0.61 |
N1(C)C(C)CC(CC1C)OC(=O)C(C1C=CC=CC=1)CC1=CC=C(C=C1)OC |
|
| MCULE-2161984773 |
0.61 |
C1CC(OC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CN(C)C1 |
|
| MCULE-6416250897 |
0.61 |
C(CC1C=CC(=C(F)C=1)O)(=O)NC1COC2(CCCC2)C1 |
|
| MCULE-6999748262 |
0.61 |
C(OCCCN(CC)CC)(C(C(C)CC)C1C=CC=CC=1)=O.Cl |
|
| MCULE-8720425299 |
0.61 |
C(OCCCN(CC)CC)(C(C(C)CC)C1C=CC=CC=1)=O |
|
| MCULE-5830681862 |
0.61 |
N1(CC[C@]2(OC)CC[C@@H](OC)C[C@H]12)C(=O)CC1C=CC(=CC=1)C1C=CC=CC=1 |
|
| MCULE-2424704444 |
0.61 |
N1(CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12)C(=O)CC1C=CC(=CC=1)F |
|
| MCULE-8576571143 |
0.61 |
OC(C1CCN(CCCOCCC2C=CC=CC=2)CC1)=O |
|
| MCULE-6807761320 |
0.61 |
C(F)(F)(F)C1=CC=CC(CC(=O)NC2COC3(CCCC3)C2)=C1 |
|
| MCULE-3749074472 |
0.61 |
N1(CC[C@]2(OC)CC[C@@H](OC)C[C@H]12)C(=O)CC1C=CC(=CC=1)C(C)C |
|
| MCULE-6381158831 |
0.61 |
C(=O)(C(C(C)CC)C1=CC=CC=C1)OC1CCN(CC1)C.C(O)(=O)C=CC(O)=O |
|
| MCULE-7230063411 |
0.61 |
C(=O)(CC1C=CC(=CC=1F)F)NC1COC2(CCCCC2)C1 |
|
| MCULE-2781083673 |
0.61 |
CCOC1C2(OCCC2)C(NC(CC(C2=CC=CC=C2)C)=O)C1 |
|
| MCULE-8842065004 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)CC1C=CC=C(F)C=1F |
|
| MCULE-5688860950 |
0.61 |
CCOC1(C(NCC(C2C=CC=CC=2)(C(=O)O)C)=O)CCCC1 |
|
| MCULE-4085714869 |
0.61 |
O=C(NCCCOCCC1C=CC=CC=1)CC1CC2NC(CC2)C1 |
|
| MCULE-8102573385 |
0.61 |
CC1(N(CC2=CC=CC=C2)CCCC1)COC(C1C2OC(CC2)C1)=O |
|
| MCULE-3768659595 |
0.61 |
CC(C(NCC(C1C=CC=CC=1)C(=O)O)=O)OC1CCCCCC1 |
|
| MCULE-7887131886 |
0.61 |
CC(C(NCC(C1=CC=CC=C1)(C(O)=O)C)=O)OC1CCCCCC1 |
|
| MCULE-6484483470 |
0.61 |
[C@H]12C[C@H](OC)CC[C@@]1(OC)CCN2CCCC1=CC=CC=C1 |
|
| MCULE-8529178617 |
0.61 |
C(=O)(CC1=CC=CC=C1C)N(C)CC1(O)CCOC2(CCNCC2)C1 |
|
| MCULE-7694208937 |
0.61 |
N1(CCC2(CC1)CC(OC)CCO2)C(=O)CC1C=CC=C(F)C=1 |
|
| MCULE-9422670986 |
0.61 |
N1(CCC2(CC1)OCCC(CC)(O)C2)C(=O)CC1=CC=CC(C)=C1 |
|
| MCULE-2758249209 |
0.61 |
C12(CCN(CC1)CCCC1C=CC=CC=1)OCCC(COC)(O)C2 |
|
| MCULE-3012388348 |
0.61 |
C(=O)(CC1=CC=CC=C1F)N1CCC2(CC1)OCCC(COC)(O)C2 |
|
| MCULE-3669577255 |
0.61 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC2(CC1)OCCC(COC)(O)C2 |
|
| MCULE-3797074757 |
0.61 |
C(=O)(CC1=CC=CC=C1C)N1CCC2(CC1)OCCC(COC)(O)C2 |
|
| MCULE-1350648718 |
0.61 |
N1(C2CCN(CC2)C(=O)CC2C=CC=CC=2)CC(C21CCOCC2)OC |
|
| MCULE-1762825183 |
0.61 |
N1(CCC2(CC1)CCC(CNC(CCC1=CC=CC=C1)=O)O2)C(=O)CC(C)C |
|
| MCULE-9043163995 |
0.61 |
C(COC(CC1C=CC=C(F)C=1)=O)(=O)NC1CCCCC1 |
|
| MCULE-5259326163 |
0.61 |
COC1(C(N2CCC(OCCC3=CC=CC=C3)CC2)=O)CCNCC1 |
|
| MCULE-2299862097 |
0.61 |
N1(CCC2(CC1)CC(OCCOC)CCO2)C(=O)CC1C=CC=CC=1 |
|
| MCULE-9463807286 |
0.61 |
N1(C2CCN(CC2)C(=O)CC2C=CC=C(F)C=2)CC(C21CCOCC2)OCC1CC1 |
|
| MCULE-4706259434 |
0.61 |
N1(CCC2(CC1)CC(CCOC)CCO2)C(=O)CC1C=CC=CC=1 |
|
| MCULE-8941360128 |
0.61 |
COC1(C(NCCCCOCCC2=CC=CC=C2)=O)CCNCC1 |
|
| MCULE-1259757331 |
0.61 |
OC(CCN1CCC(OCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-7030064496 |
0.61 |
COC1CC2C(OCCN2C(CC2CC(C3=CC=CC=C3)C2)=O)CC1 |
|
| MCULE-3291287366 |
0.61 |
N1(CCC2(CC1)CC(OCC)CCO2)C(=O)CC1=CC=CC(C)=C1 |
|
| MCULE-8386694263 |
0.61 |
C(COC(CC1C=CC=C(C)C=1)=O)(=O)NC1CCCCC1 |
|
| MolPort-020-005-719 |
0.61 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |
|
| MCULE-9285535526 |
0.61 |
CCOC(C1CCC(N[C@H]2[C@H]3O[C@H](CC3)C2)CC1)=O |
|
| MolPort-000-697-827 |
0.61 |
[Cl-].COc1cc2CC[NH+]3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-009-653-440 |
0.61 |
Cl.COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-002-321-247 |
0.61 |
Cl.COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-002-464-738 |
0.61 |
CCOc1ccc(CC2NCCc3cc(OCC)c(OCC)cc23)cc1OCC |
|
| MolPort-044-560-957 |
0.61 |
Cl.COc1cc2CCN(C)C(Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC |
|
| MolPort-035-705-715 |
0.61 |
COc1ccc2CC[N+](C)(C)[C@@H](Cc3ccc(O)cc3)c2c1O |
|
| MolPort-035-705-718 |
0.61 |
C[N+]12CCc3cc4OCOc4cc3C1(O)Cc1ccc3OCOc3c1C2 |
|
| MolPort-009-757-742 |
0.61 |
Cl.COc1cc2CCN3Cc4c(C[C@@H]3c2cc1OC)ccc(OC)c4OC |
|
| MolPort-020-005-719 |
0.61 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC |
|
| MolPort-003-850-289 |
0.61 |
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(O)c4OC |
|
| MolPort-044-560-957 |
0.61 |
Cl.COc1cc2CCN(C)C(Cc3cc(OC)c(OC)c(OC)c3)c2cc1OC |
|
| MolPort-035-705-718 |
0.61 |
C[N+]12CCc3cc4OCOc4cc3C1(O)Cc1ccc3OCOc3c1C2 |
|
| MolPort-035-705-715 |
0.61 |
COc1ccc2CC[N+](C)(C)[C@@H](Cc3ccc(O)cc3)c2c1O |
|
| MCULE-4592021706 |
0.60 |
O1CC(CC21CCCC2)NC(CCC1=CC=CC(F)=C1)=O |
|
| MCULE-5882529064 |
0.60 |
OC(C1CC2(OC(CNC(CC3=CC(F)=CC=C3)=O)CC2)C1)=O |
|
| MCULE-3087496294 |
0.60 |
OCC1(NCC2OC3(CCC3)CC2)COCC1 |
|
| MCULE-8422864077 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](O)C[C@H]12)C(=O)C(C1C=CC=CC=1)C1C=CC=CC=1 |
|
| MCULE-9275777299 |
0.60 |
CC1(OC(CN2C(CC(C3=CC=CC=C3)O)COCC2)CC1)C |
|
| MCULE-5298940927 |
0.60 |
N1(CC2C=CC(=CC=2)CC)CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 |
|
| MCULE-5521430413 |
0.60 |
[C@H]1([C@@H]2CCO[C@@H]2[C@@H]1COC)NC(=O)C(C)(C)C1C=CC=CC=1 |
|
| MCULE-9778891154 |
0.60 |
CCOC(C(C1=CC=CC=C1)N1CCCCC1)=O |
|
| MCULE-1838738630 |
0.60 |
CC(C1=CC=C(F)C=C1)(C(NCC1OC2(CC(C(O)=O)C2)CC1)=O)C |
|
| MCULE-9771344978 |
0.60 |
OC(C(C1=CC=C(F)C=C1)N1CCC(OCC2OCCCC2)CC1)=O |
|
| MCULE-4244361860 |
0.60 |
OC(CC1=CC(C(NC2C3(CCCCC3)OCC2)=O)=CC=C1)=O |
|
| MCULE-7109607098 |
0.60 |
CC1C(NC(COC(CC2=CC=C(C3=CC=CC=C3)C=C2)=O)=O)CCCC1 |
|
| MCULE-6364607012 |
0.60 |
CC(C1CC1)(CC(CN1C[C@]2(C3=CC=CC=C3)[C@@H](COC2)C1)O)O |
|
| MCULE-8859947489 |
0.60 |
CCCOC(C(N1C2CC(CC1CC2)O)C)=O |
|
| MCULE-2200440062 |
0.60 |
C(OCC(=O)NC1CCCCC1)(=O)CC1C=CC=CC=1C |
|
| MCULE-1430419856 |
0.60 |
FC1=CC=C(C2(C(OCC(NC3CCCC3)=O)=O)CCCC2)C=C1 |
|
| MCULE-2908399106 |
0.60 |
[Cl-].C(C1=CC=CC=C1)(C1(CCCC1)O)C(OCC[NH+](C)C)=O |
|
| MCULE-7074070291 |
0.60 |
COCC1=CC(CC(N2C(C3C(O)CCC3)COCC2)=O)=CC=C1 |
|
| MCULE-5159724199 |
0.60 |
C(=O)(CC1=CC=CC=C1F)N1CCC2(CC1)CC(OC)CCO2 |
|
| MCULE-3899060261 |
0.60 |
C12(C(CCCO1)O)CCN(CC2)CC1=CC=C(C=C1)CC(O)=O |
|
| MCULE-4853623667 |
0.60 |
Cl.OC(CCN1CCC(OCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-4935754503 |
0.60 |
O=C(N1CCC2(C(C(N3CCCC3)=O)C2)CC1)COCCC1=CC=CC=C1 |
|
| MCULE-9045820674 |
0.60 |
O=C(N1CC(OCCCC2=CC=CC=C2)CC1)C1C2OC(CC2)C1 |
|
| MCULE-8044342267 |
0.60 |
C1CC(CC1)(O)C(C(=O)OCCN(C)C)C1=CC=CC=C1 |
|
| MCULE-9252322464 |
0.60 |
CC1=CC=C(CC2(CCN(C(COCC3COCC3)=O)CC2)O)C=C1 |
|
| MCULE-5262997534 |
0.60 |
CC1C(C)C(NC(COC(CC2=CC=C(C3=CC=CC=C3)C=C2)=O)=O)CCC1 |
|
| MCULE-7441373873 |
0.60 |
C(OCCN(CC)CC)(=O)C(C1CCCCC1)C1C=CC=CC=1 |
|
| MCULE-5958953802 |
0.60 |
C(=O)(CC1=CC=CC=C1F)N1CCC2(CC1)CC(CCO2)OCC1CC1 |
|
| MCULE-5628735322 |
0.60 |
O=C(NCCC1CNCCC1)COCCC1C=CC=CC=1 |
|
| MCULE-1354012037 |
0.60 |
[Cl-].C(OCC[NH+](CC)CC)(=O)C(C1CCCCC1)C1=CC=CC=C1 |
|
| MCULE-6281895170 |
0.60 |
CCC(C(NCC(C1C=CC=CC=1)C(=O)O)=O)OC1CCCC1 |
|
| MCULE-4133581919 |
0.60 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)CC(C1=CC=CC=C1)C1C=CC=CC=1 |
|
| MCULE-9913724461 |
0.60 |
Cl.O=C(C1(C2C=CC=CC=2)CCCCC1)OCCN1CCOCC1 |
|
| MCULE-2278980801 |
0.60 |
C(CC1=CC=C(OC)C=C1)(=O)OC(C)CN1CCCC1 |
|
| MCULE-6766498249 |
0.60 |
C12CCC([NH+]1C)CC(C2)OC(=O)C[NH+]1CC[NH+](C)CC1 |
|
| MCULE-4013785177 |
0.60 |
COCC1(CCNCC1)CNC(COCCC1C=CC=CC=1)=O |
|
| MCULE-8532225871 |
0.60 |
CC(CC(C(=O)O)CNC(COCCC1C=CC=CC=1)=O)C |
|
| MCULE-9587266237 |
0.60 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC2(CC1)CC(OC)CCO2 |
|
| MCULE-4809483889 |
0.60 |
C1(C2=CC=CC=C2)(CC1)C(=O)N1CCC2(CC1)CC(CCO2)OCC1CC1 |
|
| MCULE-8031064963 |
0.60 |
OC(C1(CCN(C(COCCC2C=CC=CC=2)=O)CC1)O)=O |
|
| MCULE-4873303316 |
0.60 |
OC1C(C2N(CCOCC(F)(F)F)CCC2)COCC1.I |
|
| MCULE-5707234650 |
0.60 |
N1(CCC2(CC1)OCCC(C2)N1CCCC1)C(=O)CC1C=CC=CC=1 |
|
| MCULE-7614240809 |
0.60 |
C(OCCN(CC)CC)(C(CC)C1=CC=CC=C1)=O.C(CC(O)=O)(O)(CC(O)=O)C(O)=O |
|
| MCULE-2816485722 |
0.60 |
CC(CN1CC(COC(CC2=CC(C(F)F)=CC=C2)=O)OCC1)C |
|
| MCULE-4181373681 |
0.60 |
CC(OC(C(C1=CC=CC=C1)CN1CC(CO)OCC1)=O)(C)C |
|
| MCULE-9276236593 |
0.60 |
N1(CCC2(CC1)OCCC(C2)N1CCOCC1)C(=O)CC1C=CC=C(OC)C=1 |
|
| MCULE-3496993398 |
0.60 |
C(COC(CC1C=CC(=CC=1)C)=O)(=O)NC1CCCC1 |
|
| MCULE-9376023289 |
0.60 |
COC1=CC=C(CCN2C(C3C(O)CCC3)COCC2)C=C1 |
|
| MCULE-6356127915 |
0.60 |
CCC1=CC(OCCN2C(C3C(O)(C)CCOC3)CCC2)=CC=C1 |
|
| MCULE-8636563850 |
0.60 |
CCC1=CC(OCCN2C(C3C(O)CCOC3)CCC2)=CC=C1 |
|
| MCULE-9745548545 |
0.60 |
C(=O)(CC1=CC=CC=C1F)N1CCC2(CC1)OCCC(CC)(O)C2 |
|
| MCULE-1101553876 |
0.60 |
CC1OC(=O)C(N2C(CC(C3=CC=CC=C3)O)CCC2)C1 |
|
| MCULE-5265450461 |
0.60 |
CCOCCN1C(C2C(O)(C)CCOC2)CCC1 |
|
| MCULE-8592273516 |
0.60 |
C(CCC(=O)NCC1CCC2(CCN(CC2)CCCC2=CC=CC=C2)O1)(F)(F)F |
|
| MCULE-6455126919 |
0.60 |
CC(OC1=CC=C(CC(N2C(C3C(O)CCC3)COCC2)=O)C=C1)C |
|
| MCULE-2013365462 |
0.60 |
OC1C(C2N(C(CCOCC3=CC=CC=C3)=O)CCOC2)CCC1 |
|
| MCULE-9870308059 |
0.60 |
N1(CCC2(CC1)CC(O)CCO2)C(=O)CC1=CC=CC(C)=C1 |
|
| MCULE-1282333777 |
0.60 |
N1(CCC2(CC1)OCCC(C)(O)C2)C(=O)CC1=CC=CC(C)=C1 |
|
| MCULE-5363219085 |
0.60 |
C1(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(OCCC2C=CC=CC=2)C1NC(C)=O |
|
| MCULE-8683849881 |
0.60 |
NC(N1C(COC(C2(C3=CC=CC=C3)CCC2)=O)CCC1)=O |
|
| MCULE-3416678309 |
0.60 |
OC1C(C2N(C(CC3=CC4=C(CCC4)C=C3)=O)CCOC2)CCC1 |
|
| MCULE-4802291345 |
0.60 |
COC1CN(C(COCCC2C=CC=CC=2)=O)C(C(=O)O)C1 |
|
| MCULE-9562407415 |
0.60 |
COC1CC2C(OCCN2CC(C2=CC=C(OC)C=C2)C)CC1 |
|
| MCULE-9149559091 |
0.60 |
C(=O)(CC1=CC=CC=C1Cl)N1CCC2(CC1)CC(CCO2)OCC(=O)N(C)C |
|
| MCULE-4423864783 |
0.60 |
OC(C(C1C=CC(F)=CC=1)CNC(C1OCCCC1)=O)=O |
|
| MCULE-5844347483 |
0.60 |
OC(C1(NC(COCCC2C=CC=CC=2)=O)CCCCCC1)=O |
|
| MCULE-1233658801 |
0.60 |
Cl.C(CC1=CC=C(Cl)C=C1)(=O)OC1CCN(CC1)C |
|
| MCULE-6733415338 |
0.60 |
COC1(OC)C(NC(C(C2=CC=CC=C2)CO)=O)COCC1 |
|
| MCULE-4440841937 |
0.60 |
CCNC1CC2(CCOCCC2)OC1 |
|
| MCULE-8993903913 |
0.60 |
N1(CCC(OCC2CC2)C1)C(=O)CC1C=CC=CC=1 |
|
| MCULE-6763072634 |
0.60 |
CCOC(C(C1C=CC=CC=1)CNC(CC1NCCOC1)=O)=O |
|
| MCULE-5379966338 |
0.60 |
C(O)(CC1=CC=C(C=C1)CN(C)CCC1CCCCO1)=O |
|
| MCULE-1124896089 |
0.60 |
OC(C1CC(C(N2CC(CC3C=CC=CC=3)OCC2)=O)CCC1)=O |
|
| MCULE-7809028785 |
0.60 |
N1(C[C@@H](CCCC)O[C@@H](C(C)C)C1)C(=O)CC1C=CC(=CC=1)CO |
|
| MCULE-4998931000 |
0.60 |
CCC(C(NCC(C1C=CC(F)=CC=1)C(=O)O)=O)OC1CCCCC1 |
|
| MCULE-4763941641 |
0.60 |
CCOC(C(C1=CC=CC=C1)N1CCC(C(OCC)=O)CC1)=O |
|
| MCULE-6398291470 |
0.60 |
CC1C(C)C(NC(COC(CC2=CC(C)=C(C)C=C2)=O)=O)CCC1 |
|
| MCULE-2530811896 |
0.60 |
Cl.N1(CCCCC1)CC(COCC(C)C1C=CC=CC=1)O |
|
| MCULE-6958406023 |
0.60 |
N1(CCCCC1)CC(COCC(C)C1C=CC=CC=1)O |
|
| MCULE-3068054134 |
0.60 |
CC(C(NC1CCCC1)=O)OC(CC1=CC(F)=CC=C1)=O |
|
| MCULE-5933175946 |
0.60 |
C(C(=O)OC1CC(NC)CCC(C)C1)(C1=CC=CC=C1)(OCCCO)C1C=CC=CC=1 |
|
| MCULE-4518403278 |
0.60 |
O=C(NC1(C#N)CCCCC1)COC(C1(C2=CC=CC=C2)CC1)=O |
|
| MCULE-6704369189 |
0.60 |
NC(C1CCN(C(COC(C2(C3=CC=CC=C3)CC2)=O)=O)CC1)=O |
|
| MCULE-2721314516 |
0.60 |
Cl.C(CC1=CC=CC=C1)(=O)OC(C)CN1CCOCC1 |
|
| MCULE-7022732928 |
0.60 |
Cl.C(O)(C1=CC=CC=C1)(C1=CC=CC=C1)C(OCCN1CCCCC1)=O |
|
| MCULE-2297133974 |
0.60 |
OC(CC1OCCN(C(CCCOCCC2C=CC=CC=2)=O)C1)=O |
|
| MCULE-9976623350 |
0.60 |
OC(CCN1CC(CCC2C=CC=CC=2)OCC1)=O |
|
| MCULE-5425132159 |
0.60 |
OC(C1C=CC(CC(N2CC3(CCCCCC3)OCC2)=O)=CC=1)=O |
|
| MCULE-8869370035 |
0.60 |
O=C(C1(C2=CC=CC=C2)CC1)N1C2C(CCCC2)OCC1 |
|
| MCULE-5162723708 |
0.60 |
[Cl-].C(=O)(OC(C1=CC=CC=C1)CC[NH+]1CCCCC1)C1(CCCC1)C1=CC=CC=C1 |
|
| MCULE-3877713410 |
0.60 |
[N+]1(CCCCC1)(C)CC(OCCC(C)CCC1C=CC=CC=1)=O.[I-] |
|
| MCULE-1341368001 |
0.60 |
OC(CC1(NC(COCCC2C=CC=CC=2)=O)CCOCC1)=O |
|
| MCULE-7768458850 |
0.60 |
NCC(C1C=CC=CC=1)C(N1C2C(CCCC2)OCC1)=O |
|
| MCULE-4575158479 |
0.60 |
O=C(N1CCC(OCCC2C=CC=CC=2)CC1)CC1CC2NC(CC2)C1 |
|
| MCULE-4271909757 |
0.60 |
COC1CN(C(CCCOCCC2C=CC=CC=2)=O)C(C(=O)O)C1 |
|
| MCULE-4569661590 |
0.60 |
OC(CC1CCN(C(COCCC2C=CC=CC=2)=O)CC1)=O |
|
| MCULE-7753929539 |
0.60 |
OC(C1CN(CCCOCCC2C=CC=CC=2)CCC1)=O |
|
| MCULE-2381864349 |
0.60 |
CCCC(C(=O)O)CNC(COCCC1C=CC=CC=1)=O |
|
| MCULE-3819068803 |
0.60 |
O=C(NC1(C#N)CCCCC1)COC(C1(C2=CC=CC=C2)CCC1)=O |
|
| MCULE-3821146843 |
0.60 |
N1(C(OCC)=O)C2CCC1CC(C2)OC(=O)C(O)(C1C=CC=CC=1)C1=CC=CC=C1 |
|
| MCULE-6604431901 |
0.60 |
C(COCCNC(=O)CCCCC=O)C1C=CC(C)=CC=1 |
|
| MCULE-5419019085 |
0.60 |
C1CC2N(C)C1CC(OC(=O)C(C)C)C2 |
|
| MCULE-7647581889 |
0.60 |
N1(CCOC(C1)CC1=CC=CC2=CC=CC=C12)C(CCCC(OC)=O)=O |
|
| MCULE-1898762111 |
0.60 |
O=C(N1CC(OCCCC2=CC=CC=C2)CC1)C1COCCC1 |
|
| MCULE-8190575576 |
0.60 |
O=C(N1CC(OCCCC2C=CC=CC=2)CC1)CCC1CNCC1 |
|
| MCULE-9658334054 |
0.60 |
O=C(N1CC(OCCCC2C=CC=CC=2)CC1)C1C2(CCNCC2)C1 |
|
| MCULE-3859099682 |
0.60 |
CC1CN(CCCOCCC2C=CC=CC=2)CC(C(=O)O)C1 |
|
| MCULE-5736285229 |
0.60 |
CC1=CC(CC(OC2CCN(C=O)CC2)=O)=CC=C1 |
|
| MCULE-1152307587 |
0.60 |
O1[C@@H](CC[C@@H]1CN1CCOCCC1)CC1C=CC(=CC=1)CNC1CC1 |
|
| MCULE-3073280196 |
0.60 |
C(CC1=CC=C(Cl)C=C1)(=O)OC1CCN(CC1)C |
|
| MCULE-4870704384 |
0.60 |
OCC1(CN(C([C@H]2O[C@@H](CC3=CC=CC=C3)CC2)=O)CC1)O |
|
| MCULE-4222673240 |
0.60 |
OC1=CC=C(C2(C(NCC3OC4(CCOCC4)CC3)=O)CC2)C=C1 |
|
| MCULE-8592878228 |
0.60 |
N1(CCC2(CC1)CC(OCCOCC)CCO2)C(=O)CC1=CC=C(C=C1)F |
|
| MCULE-2251759113 |
0.60 |
OC(CN1CC2(CCCCC2)OCC1)CCC1=CC=CC=C1 |
|
| MCULE-5334315989 |
0.60 |
N1(CCOC2(CCCC2)C1)C(=O)CC1=CC=CC(F)=C1 |
|
| MCULE-4809471225 |
0.60 |
CC1N(C(COC(CC2=CC=C(Cl)C=C2)=O)=O)C(C)CCC1 |
|
| MCULE-5782230645 |
0.60 |
C1(C2C=CC=CC=2)(CC1)C(=O)N1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 |
|
| MCULE-5125993380 |
0.60 |
C1(CCCC1)(C1C=CC=CC=1)C(OCCN1CCOCC1)=O |
|
| MCULE-2896329338 |
0.60 |
C(=O)(COC1CCOC2(CCN(CC2)CC2C=CC(=CC=2)C(C)C)C1)N(C)C |
|
| MCULE-2175713108 |
0.60 |
ClC1=CC=C(CC(OCC(NC2CCCCCC2)=O)=O)C=C1 |
|
| MCULE-9077172058 |
0.60 |
[C@@H]1(NC(=O)CC2=CC=CC3=CC=CC=C23)[C@@H]2CCO[C@@H]2[C@@H]1COC |
|
| MCULE-1672570314 |
0.60 |
O=C(N1CCCCC1)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MCULE-9775576780 |
0.60 |
O=C(NC1CCCCC1)COC(C(C1=CC=CC=C1)C1=CC=CC=C1)=O |
|
| MolPort-028-610-216 |
0.60 |
CN1CCc2cc3OCOc3cc2C(=O)Cc2cc3OCOc3cc2C1 |
|
| MCULE-9666033363 |
0.60 |
CC(C1=CC(F)=CC=C1)(C(NCC1OC2(CC(C(O)=O)C2)CC1)=O)C |
|
| MolPort-004-946-811 |
0.60 |
Cl.COc1cc2CCNC(C(C)C)c2cc1OC |
|
| MCULE-7342898700 |
0.60 |
[N+]1(CC(OCCCCCCCCCC)=O)(C(CO)CC2C=CC=CC=2)CCCCC1 |
|
| MolPort-008-383-448 |
0.60 |
COc1cc2CN(C)CCc3cc4OCOc4cc3C(=O)Cc2cc1OC |
|
| MCULE-2906487621 |
0.60 |
CC1OCC(C2=CC=CC=C2)N(CCCCC(O)=O)C1 |
|
| MolPort-000-882-087 |
0.60 |
CN1CCc2cc3OCOc3cc2C(=O)Cc2ccc3OCOc3c2C1 |
|
| MCULE-7102830157 |
0.60 |
FC1=C(C2(C(OCC(NC3CCCCCCC3)=O)=O)CCCC2)C=CC=C1 |
|
| MolPort-002-472-109 |
0.60 |
C1Oc2cc3CCNCc3cc2O1 |
|
| MCULE-7027915434 |
0.60 |
C(=O)(N1C2CCC1CC(OC1CCN(CC1)C)C2)C1(C2=CC=CC=C2)CC1 |
|
| MolPort-005-044-960 |
0.60 |
CN1Cc2ccccc2CC1CNCc1c[nH]nc1-c1ccc2OCOc2c1 |
|
| MCULE-1879012242 |
0.60 |
OC(C1CC(C(NCCCOCCC2=CC=CC=C2)=O)CCC1)=O |
|
| MolPort-044-721-769 |
0.60 |
COc1cc2CCN(Cc3ccc4OCOc4c3)Cc2cc1OC |
|
| MCULE-6736043615 |
0.60 |
OC[C@H]1N(C(CC2OCC3(CCOCC3)CC2)=O)CCOC1 |
|
| MolPort-044-723-129 |
0.60 |
Cl.COc1cc2CC(C)(C)NC(C(C)C)c2cc1OC |
|
| MCULE-6366462382 |
0.60 |
N1(CCC2(CC1)CC(OCCOC(C)C)CCO2)C(=O)CC1C=CC(=CC=1)C |
|
| MolPort-044-721-769 |
0.60 |
COc1cc2CCN(Cc3ccc4OCOc4c3)Cc2cc1OC |
|
| MCULE-7547257776 |
0.60 |
OC1=C(O)C=C(CC(NC2CC3(CCC3)OC2)=O)C=C1 |
|
| MolPort-044-181-432 |
0.60 |
Cl.O[C@H]1CC[C@@H]2CN3CCc4cc5OCOc5cc4[C@@H]3C[C@@H]2C1 |
|
| MCULE-3166442405 |
0.60 |
CC1N(C(COC(C2(C3=CC=C(Cl)C=C3)CCCC2)=O)=O)C(C)CCC1 |
|
| MolPort-009-758-234 |
0.60 |
[Br-].COC(=O)C[N+]1(C)CCc2cc(OC)c(OC)cc2C1Cc1ccc(O)cc1 |
|
| MCULE-9743818842 |
0.60 |
OC(C1CC2(OC(CNC(C3(C4=CC=CC=C4)CC3)=O)CC2)C1)=O |
|
| MolPort-001-728-067 |
0.60 |
COc1cc2CCN(C)C(Cc3ccc(OCCC#N)cc3)c2cc1OC |
|
| MCULE-6311398065 |
0.60 |
CC(C(NC1C(C)CCCC1)=O)OC(CC1=CC=C(Br)C=C1)=O |
|
| MolPort-003-733-562 |
0.60 |
COc1cc2CCNC(C(C)C)c2cc1OC |
|
| MCULE-6032481411 |
0.60 |
C(=O)(OCC(NCCCOC)=O)C(CC)C1=CC=CC=C1 |
|
| MolPort-002-348-172 |
0.60 |
CCC1NCCc2cc(OC)c(OC)cc12 |
|
| MCULE-3496191904 |
0.60 |
C(CC1C=CC(=CC=1)SC)(=O)NC1COC2(CCCC2)C1 |
|
| MolPort-044-723-129 |
0.60 |
Cl.COc1cc2CC(C)(C)NC(C(C)C)c2cc1OC |
|
| MCULE-2578114267 |
0.60 |
C(O[C@H]1[C@H](OCC2C=CC=CC=2)[C@@H](COCC2C=CC=CC=2)N(CCCC)C[C@@H]1OCC1C=CC=CC=1)C1=CC=CC=C1 |
|
| MolPort-028-610-216 |
0.60 |
CN1CCc2cc3OCOc3cc2C(=O)Cc2cc3OCOc3cc2C1 |
|
| MCULE-8258490015 |
0.60 |
C1(C2C=CC=CC=2)(CC1)C(=O)N1CC[C@]2(OC)CC[C@H](O)C[C@H]12 |
|
| MolPort-044-181-432 |
0.60 |
Cl.O[C@H]1CC[C@@H]2CN3CCc4cc5OCOc5cc4[C@@H]3C[C@@H]2C1 |
|
| MCULE-8524356810 |
0.60 |
O=C(N1CC(NC2CCOCC2)C1)[C@H]1O[C@@H](CC2=CC=CC=C2)CC1 |
|
| MolPort-002-821-586 |
0.60 |
COc1cc2CCNC(C(c3ccccc3)c3ccc(C)cc3)c2cc1OC |
|
| MCULE-2473075646 |
0.60 |
OC1CC2CC(CC(C(NC[C@H]3OC[C@@H](C4=CC=CC=C4)C3)=O)C2)C1 |
|
| MCULE-5224497928 |
0.60 |
CC1(NCCOC1)CC1OCCC1 |
|
| MCULE-3053879758 |
0.60 |
CC1=C(C2(CCN(CC3OC(=O)C4(CCC4)C3)CC2)O)C=CC=C1 |
|
| MCULE-1626718558 |
0.60 |
OC(C1=CC=CC=C1)C(NC1CC2(CCCCC2)OCC1)=O |
|
| MCULE-9482855009 |
0.60 |
OC1(C2(CC2)CNC([C@H]2[C@@H](C3=CC=CC=C3)CCO2)=O)CCC1 |
|
| MCULE-6901189675 |
0.60 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)CC1=CC=CC=C1Cl |
|
| MCULE-8222920986 |
0.60 |
CC1OC2(COCCC2)CN(C(C(C2=CC=CC=C2)O)=O)C1 |
|
| MCULE-8324640196 |
0.60 |
CC(C1=CC=CC=C1)C(NC1CC2(CCOCC2)OCC1)CO |
|
| MCULE-5934692368 |
0.60 |
C1(C(C)C2=CC=CC=C2)OCC(CN2CCCCC2)O1 |
|
| MCULE-7719751340 |
0.60 |
CCCC1C2(NCCOC2)COC1 |
|
| MCULE-6456748382 |
0.60 |
CCOC1CCN(C(C2=CC=C(F)C=C2)C(OC)=O)CC1 |
|
| MCULE-5148069043 |
0.60 |
CCC1OCC2(NCCOC2)C1 |
|
| MCULE-5542577330 |
0.60 |
COC1(C(NCCCOCCC2=CC=CC=C2)=O)CCNCC1 |
|
| MCULE-8388808007 |
0.60 |
[C@H]1(NC(CC2C=CC(=CC=2)C2C=CC=CC=2)=O)[C@@H]2CCO[C@@H]2[C@@H]1COC |
|
| MCULE-8625629483 |
0.60 |
CC(C1OCC2(NCCOC2)C1)C |
|
| MCULE-3309004673 |
0.60 |
CC1=CC=C(CC(N2C3(COCC3)COCC2)=O)C=C1 |
|
| MCULE-3592998988 |
0.60 |
CN1C(C)(C)CC2(OC(=O)CC2)C1 |
|
| MCULE-4092757169 |
0.60 |
CCC(C(NCC(C1=CC=CC=C1)(C(O)=O)C)=O)OC1CCCC1 |
|
| MCULE-1640241993 |
0.60 |
C(CN1CCOCC1)COCCC1=CC=CC=C1 |
|
| MCULE-8431985089 |
0.60 |
OC(CCCN1CC(OCCCC2=CC=CC=C2)CC1)=O.Cl |
|
| MCULE-5294091833 |
0.60 |
CC1OC(=O)C(N2CCC(C3=CC=CC=C3)CC2)C1 |
|
| MCULE-4108816472 |
0.60 |
CCOC(C(C1=CC=C(Cl)C=C1)NC(C1COCC1)C)=O |
|
| MCULE-2266185388 |
0.60 |
C(CC1C=CC(=CC=1)N(C)C)(=O)NC1COC2(CCCC2)C1 |
|
| MCULE-5821329991 |
0.60 |
OC[C@H]1N(C(COCCC2=CC=CC=C2)=O)[C@H](CO)CC1 |
|
| MCULE-8932504491 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(CCC1=CC=CC(F)=C1)=O |
|
| MCULE-7798364581 |
0.60 |
O[C@@H]1C[C@](C2=CC=CC=C2)(C(N2CC(C3OCCC3)OCC2)=O)C1 |
|
| MCULE-1183655566 |
0.60 |
[C@H]1(CCC(OC)=O)CN(CCCC2=CC=CC=C2)CC[C@H]1N1CCOCC1 |
|
| MCULE-7916175394 |
0.60 |
[C@H]1(OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](OCCC2C=CC=CC=2)[C@@H]1NC(C)=O |
|
| MCULE-7235567733 |
0.60 |
NCC1(CCCCC1)CC(N1CC(OCCCC2=CC=CC=C2)CC1)=O |
|
| MCULE-8415632195 |
0.60 |
CCC(C1=CC=CC=C1)C(N1CC2(CCC2)COCC1)=O |
|
