| MolPort-019-936-918 |
0.85 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MCULE-7547592688 |
0.85 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MolPort-046-153-066 |
0.82 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MCULE-9316066032 |
0.73 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
|
|
| MCULE-8029878723 |
0.73 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-4471227410 |
0.73 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MolPort-000-882-129 |
0.73 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-030-042-292 |
0.73 |
OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
|
|
| MolPort-000-707-381 |
0.72 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-000-739-651 |
0.72 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-009-653-412 |
0.72 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MCULE-4900852218 |
0.72 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-5300920464 |
0.72 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
|
|
| MCULE-3609746722 |
0.70 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MCULE-9694482286 |
0.70 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MolPort-044-179-667 |
0.70 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MolPort-046-594-236 |
0.70 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
|
|
| MolPort-035-668-917 |
0.70 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
|
|
| MolPort-002-526-469 |
0.70 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-044-181-432 |
0.69 |
Cl.O[C@H]1CC[C@@H]2CN3CCC4=CC5=C(OCO5)C=C4[C@@H]3C[C@@H]2C1
|
|
| MCULE-4557116195 |
0.69 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
|
|
| MCULE-3290305628 |
0.69 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
|
|
| MCULE-5816040634 |
0.69 |
C1(OC)C=C2CCCN3CCC4[C@]3(C2=CC=1OC)C[C@@H](OC)CC=4
|
|
| MolPort-035-705-698 |
0.69 |
CO[C@H]1CC=C2CCN3CCCC4=CC(OC)=C(OC)C=C4[C@]23C1
|
|
| MCULE-5262270574 |
0.68 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
|
|
| MolPort-044-754-200 |
0.68 |
COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
|
|
| MolPort-023-274-267 |
0.67 |
CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-002-516-603 |
0.67 |
COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-522-202 |
0.67 |
COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-002-515-612 |
0.67 |
COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MCULE-4573182060 |
0.67 |
N12CCC(=O)CC1CC1=CC3OCOC=3C=C1C2
|
|
| MCULE-8351086732 |
0.67 |
[C@]12([H])[C@H](O)[C@@H](OC)C=C3CCN(CC4=CC(OC)=C(OC)C=C14)[C@@]23[H]
|
|
| MCULE-3411300988 |
0.67 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2028522222 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1514692384 |
0.67 |
C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-5660778036 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MolPort-046-598-105 |
0.67 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-244 |
0.67 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-831-098 |
0.67 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-002-513-098 |
0.67 |
COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-052-541 |
0.66 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-000-838-617 |
0.66 |
[Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-073 |
0.66 |
[I-].COC1=C2C(CC(=O)C3CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-721-313 |
0.66 |
[I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CCC6(C)[C@H]5CCC34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-113 |
0.66 |
[I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1468712024 |
0.66 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
|
|
| MCULE-8407052594 |
0.66 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-6259345237 |
0.66 |
[I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-9348625348 |
0.66 |
C1(OC)C=C2CCN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-4071678887 |
0.66 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H].[I-]
|
|
| MCULE-5124333350 |
0.66 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-5788232203 |
0.66 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MCULE-9318246296 |
0.66 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1446120151 |
0.66 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-7105035945 |
0.66 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
|
|
| MCULE-6498289847 |
0.66 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
|
|
| MCULE-7105415085 |
0.66 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
|
|
| MCULE-9667743097 |
0.66 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MolPort-002-516-591 |
0.66 |
COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-596-509 |
0.66 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-137 |
0.66 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-526-039 |
0.66 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-006-393-731 |
0.66 |
COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-006-393-733 |
0.66 |
COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-028-744-724 |
0.66 |
COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-046-418-253 |
0.66 |
COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-000-698-309 |
0.65 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-508-854 |
0.65 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-001-924-855 |
0.65 |
COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-002-520-180 |
0.65 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-725-791 |
0.65 |
[OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-696 |
0.65 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1332611476 |
0.65 |
C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-4040643278 |
0.65 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-7011532507 |
0.65 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-3536652377 |
0.65 |
C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5136907017 |
0.65 |
Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-4457029529 |
0.65 |
C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
|
|
| MCULE-9954073702 |
0.65 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-7401691939 |
0.65 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-5542313374 |
0.65 |
[H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MolPort-002-713-281 |
0.65 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
|
|
| MolPort-003-181-784 |
0.65 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-000-727-084 |
0.65 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCCC3)CC2=C1
|
|
| MolPort-046-693-204 |
0.65 |
COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
|
|
| MolPort-009-757-539 |
0.65 |
Cl.COC1=CC2=C(C=C1OC)[C@@]1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-000-698-521 |
0.65 |
[I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-510-674 |
0.65 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-020-180-693 |
0.65 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(CCCC1=CC=CC=C1)C2
|
|
| MolPort-020-180-692 |
0.65 |
Cl.COC1=CC=C(CCCN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
|
|
| MolPort-020-005-766 |
0.65 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-046-594-424 |
0.65 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
|
|
| MolPort-046-158-499 |
0.65 |
CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
|
|
| MolPort-001-742-071 |
0.65 |
CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-002-513-338 |
0.64 |
COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-181-932 |
0.64 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-000-712-320 |
0.64 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCC3)CC2=C1
|
|
| MolPort-000-834-329 |
0.64 |
COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-289 |
0.64 |
COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-516-922 |
0.64 |
COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-147 |
0.64 |
COC1=C2C(CC(=O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-793-208 |
0.64 |
Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
|
|
| MolPort-002-513-261 |
0.64 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-195 |
0.64 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-521-770 |
0.64 |
COC1=C2C(CC(=O)C3(C)CC4=C(CCCC4(C)C)CC3C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-229 |
0.64 |
COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-246 |
0.64 |
COC1=C2C(CC(=O)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-7728607823 |
0.64 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-2217428265 |
0.64 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-4289242615 |
0.64 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-5907992453 |
0.64 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5543469571 |
0.64 |
[NH2+]1C2(CCCC2)CC2=C(C=C(C(OC)=C2)OC)C1CC=C.[Cl-]
|
|
| MCULE-1426657592 |
0.64 |
C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1210210850 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1070712624 |
0.64 |
C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3528726804 |
0.64 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-1513496109 |
0.64 |
[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
|
|
| MCULE-4388586177 |
0.64 |
COC1C=C2C(C(N(C(CC3CCCCC=3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-5333356766 |
0.64 |
[C@@]123C=C[C@H](C[C@@]1([H])N(C[C@@]2(O)OCC1C=C2OCOC2=CC3=1)C)OC
|
|
| MCULE-8961249760 |
0.64 |
C12OCOC=1C=C1COC3(O)CN(C)C4CC(OC)C=CC34C1=C2
|
|
| MCULE-1667452497 |
0.64 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9591780428 |
0.64 |
OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1
|
|
| MCULE-3862251077 |
0.64 |
C12=C(CCN(C)C1CC(C(C/C=C(\C)/C)C/C=C(/C)\C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3623977626 |
0.64 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3935956997 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1938191314 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CC2CC1C=C2
|
|
| MCULE-5480033808 |
0.64 |
[I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
|
|
| MCULE-9582795993 |
0.64 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-9646553011 |
0.64 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MolPort-009-757-991 |
0.64 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-515-483 |
0.64 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
|
|
| MolPort-000-717-312 |
0.64 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-745-031 |
0.64 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-042-175-044 |
0.64 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)CC1=CCCCC1
|
|
| MolPort-019-936-809 |
0.64 |
COC1CC2N(C)CC3(O)OCC4=CC5=C(OCO5)C=C4C23C=C1
|
|
| MolPort-002-512-188 |
0.64 |
CO[C@H]1C[C@H]2N(C)C[C@@]3(O)OCC4=C(C=C5OCOC5=C4)[C@@]23C=C1
|
|
| MolPort-000-713-716 |
0.64 |
[I-].COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-051 |
0.64 |
[I-].COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-909-587 |
0.64 |
COC1=C2C(CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-020 |
0.64 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-287 |
0.64 |
COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-662 |
0.64 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-518-995 |
0.64 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-002-514-947 |
0.64 |
COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-115-199 |
0.64 |
COC1=C(OC)C=C2CN(CC3CC4CC3C=C4)CCC2=C1
|
|
| MolPort-009-758-062 |
0.64 |
[Cl-].CCCCC[N@+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
|
|
| MolPort-000-696-189 |
0.64 |
[I-].CCCC[N+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
|
|
| MolPort-002-514-373 |
0.63 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-217 |
0.63 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-035-705-695 |
0.63 |
CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-035-705-694 |
0.63 |
CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-002-514-170 |
0.63 |
COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-869 |
0.63 |
COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-046-792-891 |
0.63 |
COC1=C2O[C@@H]3C[C@H](O)C=C[C@]33CCNCC(C=C1)=C23
|
|
| MolPort-044-334-644 |
0.63 |
COC1=CC=C2CN(C)CC[C@@]34C=CC(O)CC3OC1=C24
|
|
| MolPort-002-521-885 |
0.63 |
COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-001-966-661 |
0.63 |
COC1=CC=C2CN(C)CCC34C=CC(O)CC3OC1=C24
|
|
| MolPort-044-180-238 |
0.63 |
COC1=CC=C2CN(C)CC[C@]34C=CC(O)CC3OC1=C24
|
|
| MolPort-046-689-866 |
0.63 |
COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-689-868 |
0.63 |
[2H]C([2H])([2H])OC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(CC(C=C1)=C23)C([2H])([2H])[2H]
|
|
| MolPort-046-689-867 |
0.63 |
[2H]C([2H])([2H])OC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-002-513-113 |
0.63 |
COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-136 |
0.63 |
COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-157-457 |
0.63 |
COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@]3(C)OC1=C24
|
|
| MolPort-046-689-388 |
0.63 |
COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCNCC(C=C1)=C23
|
|
| MolPort-046-689-869 |
0.63 |
COC1=C2O[C@H]3C[C@H](O)C=C[C@@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-000-752-271 |
0.63 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-000-729-408 |
0.63 |
[I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-827-286 |
0.63 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-009-757-955 |
0.63 |
I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-743-610 |
0.63 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-112 |
0.63 |
COC1=C2C(CC(=O)C(\C)=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-033-049 |
0.63 |
COC1=CC2=C(CN3CCC(N)C[C@H]3C2)C=C1OC
|
|
| MolPort-001-942-728 |
0.63 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1
|
|
| MolPort-000-731-251 |
0.63 |
[I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-942-727 |
0.63 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[N+](C)(C)CCC3=C1
|
|
| MolPort-002-149-219 |
0.63 |
COC1=C(OC)C=C2CN(CC3CCC=CC3)CCC2=C1
|
|
| MolPort-000-735-111 |
0.63 |
[I-].COC1=CC=C2C[N+](C)(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-003-983-572 |
0.63 |
Br.COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-772-437 |
0.63 |
[Br-].COC1=CC=C2C[NH+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-003-665-621 |
0.63 |
Br.COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-009-653-443 |
0.63 |
Br.COC1=CC=C2CN(C)CCC34C=C[C@@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-705-309 |
0.63 |
[Br-].COC1=CC=C2C[NH+](C)CC[C@@]34C=CC(O)CC3OC1=C24
|
|
| MCULE-8730131893 |
0.63 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9497733095 |
0.63 |
C12=C(O)C(OC)=CC=C1C(C1CC(=O)CCN1C2)O
|
|
| MCULE-5634444264 |
0.63 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
|
|
| MCULE-8055874857 |
0.63 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
|
|
| MCULE-1872782088 |
0.63 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7156449246 |
0.63 |
[C@@]123CCN(CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)C
|
|
| MCULE-5400019199 |
0.63 |
[C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
|
|
| MCULE-4606036610 |
0.63 |
C12(C)CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
|
|
| MCULE-3989035386 |
0.63 |
C1(C2=C3C4(C=C[C@H](O)C[C@]4(C)O2)CCN(C)CC3=CC=1)OC
|
|
| MCULE-7226205054 |
0.63 |
COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
|
|
| MCULE-5565372174 |
0.63 |
C12([H])CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
|
|
| MCULE-2540043444 |
0.63 |
[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
|
|
| MCULE-6987203506 |
0.63 |
OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1.Br
|
|
| MCULE-6599095599 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1CCC(=CC1)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5876741895 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1720666642 |
0.63 |
C1(OC)=C(OC)C=C2CN3CCC(N)C[C@]3(CC2=C1)[H]
|
|
| MCULE-5371671745 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC=CC1
|
|
| MCULE-5338203904 |
0.63 |
C12(C=CC(C=C1)=O)CC1C3C(=CC(OC)=C(OC)C=32)CCN1C
|
|
| MCULE-6922943220 |
0.63 |
[I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
|
|
| MCULE-7403371703 |
0.63 |
Br.COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
|
|
| MCULE-8711317350 |
0.63 |
O[C@H]1C=C[C@@]23CCN(C)CC4=CC=C(OC)C(=C42)O[C@H]3C1.Br
|
|
| MCULE-9904804378 |
0.63 |
COC1C=CC2=C3C4(CCN(C2)C)C(CC(C=C4)O)OC=13.Br
|
|
| MCULE-8969045978 |
0.63 |
[Br-].[C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
|
|
| MCULE-2674783794 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8781608015 |
0.63 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6302151901 |
0.63 |
C12=CC(OC)=C(C=C1CN(CCC(C)=O)CC12CCCC1)OC
|
|
| MCULE-1818050283 |
0.63 |
[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-3943888070 |
0.63 |
N12CC3C=C4OCOC4=CC=3[C@]3([H])CCC[C@@](CC1=O)([H])[C@]23[H]
|
|
| MolPort-000-744-641 |
0.63 |
[I-].COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-053 |
0.63 |
[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-797-380 |
0.63 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-624 |
0.63 |
COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-769 |
0.63 |
COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-611-642 |
0.63 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCC(C)=O)C2
|
|
| MolPort-046-600-616 |
0.63 |
COC1=CC=C(CN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
|
|
| MolPort-039-336-424 |
0.63 |
O=C1C[C@H]2CCC[C@@H]3[C@H]2N1CC1=C3C=C2OCOC2=C1
|
|
| MolPort-001-943-939 |
0.63 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)NCCC3=C1
|
|
| MolPort-002-514-439 |
0.62 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-730 |
0.62 |
[I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-218 |
0.62 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-209 |
0.62 |
COC1=CC(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-002-515-693 |
0.62 |
COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-515-244 |
0.62 |
COC1=C2C(CC(=O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-882 |
0.62 |
COC1=CC=C(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-514-879 |
0.62 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-180-079 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCC(C)=O)C2
|
|
| MolPort-002-515-733 |
0.62 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-689-387 |
0.62 |
CN1CC[C@@]23C=C[C@H](O)C[C@H]2OC2=C(O)C=CC(C1)=C32
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0.62 |
COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
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0.62 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCCCN1CC3=C(C=C(OC)C(OC)=C3)C3(CCCC3)C1)C2
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|
| MolPort-000-744-921 |
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[Cl-].[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH+](CCCCC[NH+]1CC3=C(C=C(OC)C(OC)=C3)C3(CCCC3)C1)C2
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| MolPort-002-514-277 |
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COC1=C2C(CC(O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-002-513-248 |
0.62 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-199 |
0.62 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
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0.62 |
COC1=CC2=C(C=C1OC)C1CC(CCN1CC2)C1=CC=CC=C1
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|
| MolPort-045-902-304 |
0.62 |
COC1=CC2=C(C=C1OC)C1(CCCCC1)CNC2CCC1=CC=CC=C1
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|
| MolPort-000-724-870 |
0.62 |
[I-].COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
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|
| MolPort-002-514-660 |
0.62 |
COC1=C2C(CC(=O)CC3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)N(C)CCC2=CC2=C1OCO2
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| MolPort-000-730-695 |
0.62 |
[I-].COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.62 |
COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-000-719-611 |
0.62 |
[I-].COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-514-617 |
0.62 |
COC1=C2C(C\C(O)=C\C(C)=O)N(C)CCC2=CC2=C1OCO2
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| MolPort-001-619-564 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(C)C2
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| MolPort-000-734-700 |
0.62 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCCC1)C[NH+](C)C2
|
|
| MCULE-7642427371 |
0.62 |
C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2
|
|
| MCULE-3654166896 |
0.62 |
C12(CC3NCCC4=CC(OC)=C(OC)C1=C34)C=CC(=O)C=C2
|
|
| MCULE-4192923499 |
0.62 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4253336600 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7347258827 |
0.62 |
C12=C(CCN(C)C1CC(CCC1C=CC(=C(OC)C=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5035620957 |
0.62 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1105978207 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3627009950 |
0.62 |
C12=C(CCN(C)C1CC(CCC1C=CC3=C(OCO3)C=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9021428536 |
0.62 |
[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
|
|
| MCULE-9083035230 |
0.62 |
Cl.C12C=C(OC)C(=CC=1CN(CCC(C)=O)CC12CCCC1)OC
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|
| MCULE-8404716658 |
0.62 |
[C@@]123CCN(CC4C=CC(O)=C(O[C@@]1([H])C[C@@H](O)C=C2)C3=4)C
|
|
| MCULE-8697589965 |
0.62 |
[Cl-].[Cl-].[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-6277168833 |
0.62 |
C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-9841539432 |
0.62 |
C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-8850292099 |
0.62 |
C12C3(CCCCC3)CNC(CCC3=CC=CC=C3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-4400069664 |
0.62 |
C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
|
|
| MCULE-9783615335 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2156282825 |
0.62 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7517414708 |
0.62 |
[Cl-].[NH+]1(C)CC2C=C(OC)C(=CC=2C2(CCCCC2)C1)OC
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|
| MCULE-2921076734 |
0.62 |
C12=C(O)C(OC)=CC=C1CC1N(CCC(=O)C1)C2
|
|
| MCULE-7658434182 |
0.62 |
C1(OC)C=C2[C@@H](O)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-2900334347 |
0.62 |
C12C3(CCCCC3)CNCC1=CC(=C(OC)C=2)OC
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|
| MCULE-2801266347 |
0.62 |
C12C(CCN(C)C1CC(CCC(C)=O)=O)=CC1=C(OCO1)C=2OC
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|
| MCULE-8175727011 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
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|
| MCULE-7382446246 |
0.62 |
C12C=C(OC)C(=CC=1CN(CC=C)CC12CCCC1)OC
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|
| MCULE-2040765671 |
0.62 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC
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|
| MCULE-2190839823 |
0.62 |
[Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
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|
| MCULE-1643056995 |
0.62 |
C12CCCCC1(O)CCNC2C1C=CC2=C(OCO2)C=1
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|
| MCULE-8445759058 |
0.62 |
[C@@]12([H])CCCC[C@]1(O)CCN[C@H]2C1=CC=C2C(OCO2)=C1
|
|
| MCULE-4118612757 |
0.62 |
[C@H]12CN(C[C@H]1[C@H](N[C@]2(CO)C1C=CC=CC=1)C1=C(C)C=C2C(OCO2)=C1)C
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| MolPort-039-338-496 |
0.62 |
COC1=CC=C(C=C1OC)[C@]12CCN(C)C1CC(=O)C=C2
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| MolPort-046-733-633 |
0.62 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)CC1CCCC=C1
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|
| MolPort-002-513-172 |
0.62 |
COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-336 |
0.62 |
COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-000-707-970 |
0.62 |
[I-].COC1=C2C(CC(O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-035-705-692 |
0.62 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](O)C1=CC(OC)=C(OC)C=C31
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| MolPort-046-596-102 |
0.62 |
COC1=C(OC)C=C2C(CNCC22CCCCC2)=C1
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| MolPort-000-696-516 |
0.62 |
[I-].COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-152 |
0.62 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-108 |
0.62 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-514-128 |
0.62 |
COC1=C2C(CC(=O)CCC(C)=O)N(C)CCC2=CC2=C1OCO2
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| MolPort-002-520-745 |
0.62 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-236 |
0.62 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
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| MolPort-009-757-663 |
0.62 |
Cl.COC1=CC=C(CCC2NCC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
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| MolPort-000-704-377 |
0.62 |
[Cl-].COC1=CC=C(CCC2[NH2+]CC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
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| MolPort-009-753-175 |
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OC12CCCCC1C(NCC2)C1=CC2=C(OCO2)C=C1
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| MolPort-044-179-928 |
0.62 |
OC12CCCCC1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
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| MolPort-002-514-912 |
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O[C@]12CCCC[C@H]1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
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| MolPort-016-614-887 |
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CN1C[C@@H]2[C@H](C1)[C@](CO)(N[C@@H]2C1=CC2=C(OCO2)C=C1C)C1=CC=CC=C1
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CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
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| MolPort-002-513-270 |
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COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
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[I-].COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
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CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
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CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
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CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
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COC1=C2C(CC(=O)C=C(C)C)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
[Br-].COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
[I-].COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
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0.61 |
COC1=C2C(CC(=O)C34CC5CC(CC(C5)C3)C4)N(C)CCC2=CC2=C1OCO2
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| MolPort-001-012-635 |
0.61 |
Cl.COC1=C(OC)C=C2C(CNCC22CCCCC2)=C1
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|
| MolPort-000-834-222 |
0.61 |
[Cl-].COC1=C(OC)C=C2C(C[NH2+]CC22CCCCC2)=C1
|
|
| MolPort-000-696-136 |
0.61 |
OS([O-])(=O)=O.COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[NH2+]CCC3=C1
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0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCC2=CC(OC)=C(OC)C=C2[C@@H]1C
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| MolPort-021-765-669 |
0.61 |
N#CC1=C(CN2C[C@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=CC=C1
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N#CC1=C(CN2C[C@@H]([C@@H]3[C@H]2C2CCN3CC2)C2=CC3=C(OCO3)C=C2)C=CC=C1
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|
| MolPort-009-758-386 |
0.61 |
OS(O)(=O)=O.COC1=C(OC)C2=C3[C@@H](CC22C=CC(=O)C=C2)NCCC3=C1
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|
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0.61 |
COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
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0.61 |
COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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|
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0.61 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH+](CC=C)C2
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|
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0.61 |
Cl.Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCN)C2C
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|
| MolPort-002-513-142 |
0.61 |
COC1=C2C(CC(=O)C(C)C)N(C)CCC2=CC2=C1OCO2
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Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CC=C)C2
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CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
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COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
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COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
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0.61 |
[I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
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0.61 |
[I-].CC(=O)O[C@H]1C[C@H]2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1OC(C)=O
|
|
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0.61 |
[I-].COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-044-179-163 |
0.61 |
Cl.OC12CCCCC1[C@@H](NCC2)C1=CC2=C(OCO2)C=C1
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Cl.OC12CCCCC1C(NCC2)C1=CC2=C(OCO2)C=C1
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|
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0.61 |
OC12CCCCC1C(N(CC1=CC(F)=CC=C1)CC2)C1=CC2=C(OCO2)C=C1
|
|
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0.61 |
COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
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0.61 |
COC1=C2C(CC(=O)C3(CCNCC3)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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|
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0.61 |
Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
|
|
| MolPort-002-506-975 |
0.61 |
COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-925-312 |
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CN1CCC2=CC3=C(OCO3)C3=C2C1CC31CCC(CC1)=NO
|
|
| MolPort-000-731-722 |
0.61 |
O.[Cl-].[Cl-].CC[C@H]1C[NH+]2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCC2=CC(OC)=C(OC)C=C12
|
|
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0.61 |
Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-002-513-263 |
0.61 |
COC1=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=CC=C1
|
|
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0.61 |
[I-].COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
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0.61 |
O.Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
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0.61 |
Cl.CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-002-520-155 |
0.61 |
COC1=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MCULE-9876526208 |
0.61 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC
|
|
| MCULE-3993706568 |
0.61 |
C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
|
|
| MCULE-3329567447 |
0.61 |
C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-6463418142 |
0.61 |
C12=C(O)C(OC)=CC=C1CC1N(CCC(=O)C1)C2.Cl
|
|
| MCULE-2533535089 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1520472800 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9156709024 |
0.61 |
C12C(CCN(C)C1CC(=O)C13CC4CC(CC(C4)C1)C3)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1844335967 |
0.61 |
C12=C(CCN(C)C1CC(=O)/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3495218200 |
0.61 |
N1(CC2C=CC=CC=2C#N)C[C@@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-8478949778 |
0.61 |
N1(CC2C=CC=CC=2C#N)C[C@H]([C@H]2N3CCC(CC3)[C@H]21)C1C=CC2=C(OCO2)C=1
|
|
| MCULE-4093641788 |
0.61 |
[Cl-].C12C3(CCCCC3)C[NH2+]CC1=CC(=C(OC)C=2)OC
|
|
| MCULE-4538645287 |
0.61 |
C12(CC3C4=C(CC[NH2+]3)C=C(OC)C(OC)=C14)C=CC(=O)C=C2.S(O)(=O)(=O)[O-]
|
|
| MCULE-8022675444 |
0.61 |
C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2.S(O)(O)(=O)=O
|
|
| MCULE-6840023402 |
0.61 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC.Cl.Cl
|
|
| MCULE-1993925586 |
0.61 |
Cl.C12C=C(OC)C(=CC=1CN(CC=C)CC12CCCC1)OC
|
|
| MCULE-4488135397 |
0.61 |
C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9824572468 |
0.61 |
C12C(CCN(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2580202854 |
0.61 |
C12=C(CCN(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4722878192 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1239040532 |
0.61 |
C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2144214276 |
0.61 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3515640577 |
0.61 |
Cl.C12CCCCC1(O)CCNC2C1C=CC2=C(OCO2)C=1
|
|
| MCULE-5574153733 |
0.61 |
C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-2104347335 |
0.61 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=C(F)C=1
|
|
| MCULE-8294538257 |
0.61 |
C12C(CCN(C)C1CC(=O)C1(CCNCC1)C1=CC=CC=C1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5486251596 |
0.61 |
C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2567233272 |
0.61 |
C12C3(CCCC3)CNCC=1C=C(C(OC)=C2)OC
|
|
| MCULE-1754478820 |
0.61 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC.Cl[H].Cl[H]
|
|
| MCULE-9330327410 |
0.61 |
[H]Cl.[H]Cl.COC1C(OC)=CC2CCN[C@H](C[C@H]3C[C@]4([H])N(CCC5C4=CC(OC)=C(OC)C=5)C[C@@H]3CC)C=2C=1
|
|
| MCULE-6176661820 |
0.61 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl
|
|
| MCULE-3232466040 |
0.61 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl.Cl
|
|
| MCULE-6495665471 |
0.61 |
N12CC(CC)C(CC3NCCC4=CC(OC)=C(OC)C=C34)CC1C1C=C(OC)C(OC)=CC=1CC2.Br
|
|
| MCULE-9674501627 |
0.61 |
Cl.C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-5348350150 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1513524652 |
0.61 |
C12C3CCN(C)C1CC1(CCC(CC1)=NO)C=2C1=C(OCO1)C=3
|
|
| MCULE-3070154615 |
0.61 |
C12=C(CCN(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8364503034 |
0.61 |
C12C(CCN(C)C1CC(=O)CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3953892889 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-9930157051 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5267015184 |
0.61 |
[I-].C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9371937190 |
0.61 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1746486587 |
0.61 |
N12CCC(=O)CC1CC1=CC(OC)=C(O)C=C1C2
|
|
| MCULE-2512323393 |
0.61 |
N12CCC(=O)CC1CC1=CC(O)=C(OC)C=C1C2
|
|
| MCULE-1372189946 |
0.61 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-5221048285 |
0.61 |
C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9792486342 |
0.61 |
C12=C(CCN(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6067588070 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4497568477 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5815327494 |
0.61 |
C1=C(OC)C(OC)=CC=C1C(CC)NCCC1CCCCC=1
|
|
| MCULE-1012773985 |
0.61 |
[Cl-].C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-9251664006 |
0.61 |
COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-7677232966 |
0.61 |
Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9068899112 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-8222191037 |
0.61 |
C12C3(CCCC3)CNCC=1C=C(C(OC)=C2)OC.Cl
|
|
| MCULE-7751160260 |
0.61 |
N1(C2CC=CC(=O)C2)CCC2C(=CC(=C(OC)C=2)O)C1
|
|
| MCULE-4667092841 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
|
|
| MCULE-7808942263 |
0.61 |
COC1C=C2C(C(N(C(C3C4C=CC(C4)C3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-6725886454 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3598814286 |
0.61 |
[Cl-].C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1592007325 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-6346519692 |
0.61 |
C12=C(CCN(C)C1CC(=NO)C(=C)CC=C(C)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1700843511 |
0.61 |
N12CCC3=C(C=C4C(OCO4)=C3)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6909489981 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3875114127 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3540014010 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MolPort-000-707-236 |
0.61 |
[I-].COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-706-016 |
0.61 |
[I-].COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-719-711 |
0.61 |
[I-].CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-701-087 |
0.61 |
[I-].COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-340 |
0.61 |
COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-317 |
0.61 |
COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-717-717 |
0.61 |
COC1=C2C(CC(=O)C=CC=C(C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-048 |
0.61 |
COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-419 |
0.61 |
COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-769 |
0.61 |
COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-824-435 |
0.61 |
Cl.COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-991-505 |
0.61 |
COCCCN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-002-583-179 |
0.61 |
CCC(NCCC1=CCCCC1)C1=CC(OC)=C(OC)C=C1
|
|
| MolPort-002-515-489 |
0.61 |
COC1=C2C(CC(=O)C3CCCCC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-831-150 |
0.61 |
[I-].COC1=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-009-758-247 |
0.61 |
Br.COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-183-028 |
0.61 |
Cl.COC1=C(OC)C=C2C(CNCC22CCCC2)=C1
|
|
| MolPort-000-697-389 |
0.61 |
[I-].COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-711-733 |
0.61 |
[I-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-704-354 |
0.61 |
[Cl-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-102 |
0.61 |
Cl.COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-012 |
0.61 |
Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-734-784 |
0.61 |
[Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-736-462 |
0.61 |
[I-].COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-949 |
0.61 |
COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-261 |
0.61 |
COC1=C2C(C\C(=N\O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-139 |
0.60 |
COC1=C(OC)C2=C(C[C@H]3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-046-680-186 |
0.60 |
[2H]C1N2CCC3=C(C=C4OCOC4=C3)C2([2H])C([2H])C2=CC=C(OC)C(OC)=C12
|
|
| MolPort-035-705-719 |
0.60 |
COC1=CC=C2C[C@@H]3N(CCC4=C3C=C3OCOC3=C4)CC2=C1OC
|
|
| MolPort-039-052-546 |
0.60 |
CO[C@@H]1C[C@]23N(CC=C2C=C1)C[C@H](OC)C1=CC(OC)=C(OC)C=C31
|
|
| MolPort-001-728-057 |
0.60 |
COC1=C(OC)C2=C(CC3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-039-230-141 |
0.60 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)C1CCC=CC1
|
|
| MolPort-002-089-362 |
0.60 |
Cl.CCC(NCCC1=CCCCC1)C1=CC(OC)=C(OC)C=C1
|
|
| MolPort-044-179-021 |
0.60 |
CC1=CC=C(CN2CCC3(O)CCCCC3[C@@H]2C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-002-522-125 |
0.60 |
CC1=CC=C(CN2CC[C@@]3(O)CCCC[C@H]3[C@@H]2C2=CC3=C(OCO3)C=C2)C=C1
|
|
| MolPort-046-766-053 |
0.60 |
COC1=CC=C2C(CN(C)CC2=C1)C1(O)CCCCC1
|
|
| MolPort-008-362-465 |
0.60 |
COC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC2=C1OCO2
|
|
| MolPort-002-518-092 |
0.60 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-308 |
0.60 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-747-700 |
0.60 |
[Br-].COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-105 |
0.60 |
COC1=C(OC)C=C2CN(CC3[C@@H]4[C@@H](CC5=CCCC(C)[C@@]5(C)C4O)OC3=O)C(C)CC2=C1
|
|
| MolPort-039-338-276 |
0.60 |
COC1=CC[C@]23CCN(C)[C@]2(C[C@H](O)C2=C3C=C3OCOC3=C2)C1=O
|
|
| MolPort-002-520-864 |
0.60 |
COC1=C2C(C\C(=N/O)C3=CCC(CCC=C(C)C)CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-733-698 |
0.60 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)CC1CCC=CC1
|
|
| MolPort-046-763-412 |
0.60 |
Cl.COC1=C(OC)C2=C(CC3N(CCC4=C3C=C3OCOC3=C4)C2)C=C1
|
|
| MolPort-011-236-801 |
0.60 |
C(NC1CCC2=CC=CC=C2C1)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-002-610-015 |
0.60 |
OC12CCCCC1C(N(CC#N)CC2)C1=CC2=C(OCO2)C=C1
|
|
| MolPort-001-918-385 |
0.60 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(C)=O
|
|
| MCULE-8735310306 |
0.60 |
C1(OC)C=C2[C@@H](OC)CN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-1774160203 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C3CC=CCC3)=O)C2CC(O)=O)=C1
|
|
| MCULE-5523032747 |
0.60 |
Cl.C1=C(OC)C(OC)=CC=C1C(CC)NCCC1CCCCC=1
|
|
| MCULE-8835467700 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
|
|
| MCULE-8986694685 |
0.60 |
N1(CC2=CC=C(C=C2)C)CC[C@@]2([C@@]([H])(CCCC2)[C@@H]1C1=CC=C2C(OCO2)=C1)O
|
|
| MCULE-5665937776 |
0.60 |
C12OCOC1=CC(CN1CCCC(CO)(CC3=CC=CC=C3C)C1)=CC=2OC
|
|
| MCULE-6248551129 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-4508435763 |
0.60 |
C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-5574529686 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5077697316 |
0.60 |
C12OCOC1=CC1[C@@H](O)C[C@]34N(C)CC[C@]3(CC=C(OC)C4=O)C=1C=2
|
|
| MCULE-8568707662 |
0.60 |
C12C(CCN(C)C1CC(=NO)C1CCC(CC=1)CC/C=C(\C)/C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3491567709 |
0.60 |
CC1C2C=C3C(=CC=2C2(CCCC2)CN1CCC(=O)O)OCCO3
|
|
| MCULE-8022847521 |
0.60 |
C12(C=CC(C=C1)=O)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
|
|
| MCULE-5647998057 |
0.60 |
CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
|
|
| MCULE-5447634613 |
0.60 |
C12=CC(=CC=C1OCO2)CNC1CCC2=C(C=CC=C2)C1
|
|
| MCULE-1389270124 |
0.60 |
C1(N(CC#N)CCC2(CCCCC12)O)C1=CC=C2C(OCO2)=C1
|
|
| MCULE-9653978221 |
0.60 |
C12=C(CCN(C)C1CC(CC1=CC=C(C=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5237128595 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1368284170 |
0.60 |
C12=C(CCN(C)C1CC(CC1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4220530900 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2001165445 |
0.60 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-6720292628 |
0.60 |
C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-8224463524 |
0.60 |
C12=C(CCN(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2984419568 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3516610075 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(CC3C4=C(C=CC=C4)CCC3)=O)C2CC(O)=O)=C1
|
|
| MCULE-5228538208 |
0.60 |
N1(CCC2(C(CCCC2)C1C1=CC=C2C(OCO2)=C1)O)CC1C=CC=CC=1F
|
|
| MCULE-5656969981 |
0.60 |
C1C(OC)=C(OC)C=C2C=1CCN1CC3C4OCOC=4C=CC=3[C@H](C)[C@]21[H]
|
|
| MCULE-7411451677 |
0.60 |
C1(OC)C=C2CCN3CC4C5OCOC=5C=CC=4CC3C2=CC=1OC
|
|
| MCULE-2758949512 |
0.60 |
C1(OC)C=C2CCN3C(=O)C=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
|
|
| MCULE-6743435165 |
0.60 |
C12=CC(OC)=C(OC)C=C1CCN1[C@]2([H])CC(=O)[C@H](CC(C)C)C1
|
|
| MCULE-8705177202 |
0.60 |
[I-].CCC1C[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC1=O
|
|
| MCULE-2700319425 |
0.60 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@H]1CC(=O)[C@H](CC(C)C)C2
|
|
| MCULE-5822627411 |
0.60 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C(CC(C)C)C2
|
|
| MCULE-6472043806 |
0.60 |
N12CCC3=C(C=C(C(OC)=C3)OC)[C@@H]1CC(=O)[C@@H](CC(C)C)C2
|
|
| MCULE-5458437044 |
0.60 |
C12=CC(OC)=C(OC)C=C1CCN1[C@@]2([H])CC(=O)[C@@H](CC(C)C)C1
|
|
| MCULE-1307540705 |
0.60 |
C12=C(CCNC1C1CCCCC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2276975819 |
0.60 |
C12C=C(OC)C(=CC=1CN(CC#C)CC12CCCC1)OC
|
|
| MCULE-1154490579 |
0.60 |
N1(CCC2=C(C=C(C(OC)=C2)OC)[C@@H]1C)CC1(CCCC1)C1=CC=CC=C1
|
|
| MCULE-3700587735 |
0.60 |
C12=C(CC[NH+](C)C1CC(C1CCC(=CC1)C)=N[O-])C=C1C(OCO1)=C2OC
|
|
| MCULE-6262377897 |
0.60 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2252449891 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4135055702 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-8473723087 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8689850745 |
0.60 |
C12C=C(OC)C(=CC=1CCN(CCC1C(C)(C)CCCC=1C)C2C1=CC=CC(Cl)=C1)OC
|
|
| MCULE-7048906339 |
0.60 |
[C@@H]12CN(C[C@@H]1[C@@](N[C@@H]2C1=CC(OC)=C2C(OCO2)=C1)(CO)CCO)CC
|
|
