| MCULE-7156449246 |
1 |
[C@@]123CCN(CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)C
|
|
| MCULE-5400019199 |
1 |
[C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
|
|
| MCULE-5565372174 |
1 |
C12([H])CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
|
|
| MCULE-7226205054 |
1 |
COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
|
|
| MCULE-2540043444 |
1 |
[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
|
|
| MCULE-4606036610 |
1 |
C12(C)CC(O)C=CC31CCN(CC1=CC=C(OC)C(=C31)O2)C
|
|
| MCULE-3989035386 |
1 |
C1(C2=C3C4(C=C[C@H](O)C[C@]4(C)O2)CCN(C)CC3=CC=1)OC
|
|
| MolPort-046-689-867 |
1 |
[2H]C([2H])([2H])OC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-792-891 |
1 |
COC1=C2O[C@@H]3C[C@H](O)C=C[C@]33CCNCC(C=C1)=C23
|
|
| MolPort-046-157-457 |
1 |
COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@]3(C)OC1=C24
|
|
| MolPort-044-334-644 |
1 |
COC1=CC=C2CN(C)CC[C@@]34C=CC(O)CC3OC1=C24
|
|
| MolPort-044-180-238 |
1 |
COC1=CC=C2CN(C)CC[C@]34C=CC(O)CC3OC1=C24
|
|
| MolPort-046-689-868 |
1 |
[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-046-689-388 |
1 |
COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCNCC(C=C1)=C23
|
|
| MolPort-046-689-869 |
1 |
COC1=C2O[C@H]3C[C@H](O)C=C[C@@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-002-521-885 |
1 |
COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-001-966-661 |
1 |
COC1=CC=C2CN(C)CCC34C=CC(O)CC3OC1=C24
|
|
| MolPort-046-689-866 |
1 |
COC1=C2O[C@@H]3C[C@@H](O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-003-665-621 |
0.99 |
Br.COC1=CC=C2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-003-983-572 |
0.99 |
Br.COC1=CC=C2CN(C)CCC34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-009-653-443 |
0.99 |
Br.COC1=CC=C2CN(C)CCC34C=C[C@@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-772-437 |
0.99 |
[Br-].COC1=CC=C2C[NH+](C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-735-111 |
0.99 |
[I-].COC1=CC=C2C[N+](C)(C)CC[C@@]34C=C[C@H](O)C[C@@H]3OC1=C24
|
|
| MolPort-000-705-309 |
0.99 |
[Br-].COC1=CC=C2C[NH+](C)CC[C@@]34C=CC(O)CC3OC1=C24
|
|
| MCULE-1513496109 |
0.99 |
[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
|
|
| MCULE-6922943220 |
0.99 |
[I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)C
|
|
| MCULE-7403371703 |
0.99 |
Br.COC1=C2C3[C@]4([C@@H](O2)C[C@@H](O)C=C4)CCN(C)CC=3C=C1
|
|
| MCULE-8711317350 |
0.99 |
O[C@H]1C=C[C@@]23CCN(C)CC4=CC=C(OC)C(=C42)O[C@H]3C1.Br
|
|
| MCULE-8969045978 |
0.99 |
[Br-].[C@@]123CC[NH+](CC4C=CC(OC)=C(OC1CC(O)C=C2)C3=4)C
|
|
| MCULE-9904804378 |
0.99 |
COC1C=CC2=C3C4(CCN(C2)C)C(CC(C=C4)O)OC=13.Br
|
|
| MCULE-5480033808 |
0.99 |
[I-].[C@@]123CC[N+](CC4=CC=C(OC)C(O[C@H]1C[C@@H](O)C=C2)=C34)(C)CCCC
|
|
| MCULE-8404716658 |
0.99 |
[C@@]123CCN(CC4C=CC(O)=C(O[C@@]1([H])C[C@@H](O)C=C2)C3=4)C
|
|
| MolPort-000-696-189 |
0.99 |
[I-].CCCC[N+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
|
|
| MolPort-009-758-062 |
0.99 |
[Cl-].CCCCC[N@+]1(C)CC[C@@]23C=C[C@H](O)C[C@@H]2OC2=C3C(C1)=CC=C2OC
|
|
| MolPort-046-689-387 |
0.99 |
CN1CC[C@@]23C=C[C@H](O)C[C@H]2OC2=C(O)C=CC(C1)=C32
|
|
| MCULE-9591780428 |
0.89 |
OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1
|
|
| MCULE-9770932749 |
0.89 |
C123C=CC[C@H](O)[C@@H]1OC1=C(C=CC(C[N+](C)(C)CC2)=C31)OC
|
|
| MCULE-8145610218 |
0.89 |
C123C=CCC(O)C1OC1=C(C=CC(C[N+](C)(C)CC2)=C31)OC
|
|
| MCULE-6987203506 |
0.89 |
OC1C=C2CCN(C)CC3=CC=C(OC)C4=C3C2C(O4)C1.Br
|
|
| MCULE-5548531300 |
0.88 |
[I-].C123C=CC[C@H](O)[C@@H]1OC1=C(C=CC(C[N+](C)(C)CC2)=C31)OC
|
|
| MCULE-5533869712 |
0.88 |
C123C=CCC(O)C1OC1=C(C=CC(C[N+](C)(C)CC2)=C31)OC.[I-]
|
|
| MolPort-009-758-097 |
0.88 |
[I-].COC1=CC=C2C[N+](C)(C)CCC34C=CC[C@H](O)[C@@H]3OC1=C24
|
|
| MolPort-000-729-465 |
0.88 |
[I-].COC1=CC=C2C[N+](C)(C)CCC34C=CCC(O)C3OC1=C24
|
|
| MCULE-2149328650 |
0.86 |
N1(C)CC2=CC=C(OC)C3O[C@]4([H])[C@@](C=C[C@H](OC(=O)C5=CC=CC=C5)C4)(C2=3)CC1
|
|
| MolPort-046-417-730 |
0.86 |
COC1=C2O[C@H]3C[C@@H](OC(=O)C4=CC=CC=C4)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MCULE-1183853671 |
0.85 |
O=C1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)C=C1
|
|
| MolPort-003-847-558 |
0.85 |
COC1=C2O[C@H]3CC(=O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-793-174 |
0.85 |
COC1=C2OC3CC(=O)C=CC33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-763-895 |
0.82 |
COC1=C2O[C@@H]3C[C@@H](OC(=O)C45CCC(C)(C(=O)O4)C5(C)C)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-598-042 |
0.78 |
COC1=CC=C2C[N+](C)(C)CCC3C=C[C@@H](O)[C@@H]4OC1=C2C34
|
|
| MolPort-039-339-049 |
0.76 |
COC1=C2O[C@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-690-333 |
0.76 |
COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MCULE-2357916440 |
0.76 |
O[C@@H]1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)CC1
|
|
| MolPort-046-764-592 |
0.76 |
Br.COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-046-688-604 |
0.76 |
COC1=C2O[C@@H]3C=CC=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MCULE-7007578574 |
0.72 |
C12C3C4OC=1C(=CC(Br)=C2CN(CC3=CC1(OCC(C)O1)C4)C=O)OC
|
|
| MolPort-046-689-561 |
0.70 |
COC1=C2O[C@@H]3CC(=O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MCULE-7087527015 |
0.69 |
C12C3C4OC=1C(=CC(Br)=C2CN(CC3=CC(=O)C4)C=O)OC
|
|
| MCULE-2664342860 |
0.69 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C(O)C=C24)OC(C)=O)C3=5
|
|
| MolPort-046-763-899 |
0.68 |
COC1=C2O[C@@H]3CC=C[C@H]4[C@@H]5CC(C=C1)=C2[C@@]34CCN5C
|
|
| MCULE-5287750405 |
0.67 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C(OCOC)C=C24)O)C3=5
|
|
| MCULE-8292232115 |
0.67 |
C123CC[N+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)(C)C
|
|
| MCULE-2327203253 |
0.67 |
C123CC[NH+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)C
|
|
| MCULE-7695106231 |
0.67 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C=CC24)O)C3=5
|
|
| MolPort-046-689-145 |
0.67 |
[2H]C([2H])([2H])OC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@@H]5CC(C=C1)=C2[C@@]34CCN5C([2H])([2H])[2H]
|
|
| MolPort-002-535-312 |
0.67 |
COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CC[N+]3(C)C
|
|
| MolPort-000-840-795 |
0.66 |
[I-].COC1=CC=C2CC3C4C=CC(O)C5OC1=C2C45CC[N+]3(C)C
|
|
| MolPort-046-690-658 |
0.66 |
Cl.COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5
|
|
| MCULE-2469130511 |
0.66 |
C123CC[NH+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)C.[Br-]
|
|
| MCULE-3167742189 |
0.66 |
C123CC[N+](C4CC5=CC=C(OC)C(OC1C(O)C=CC24)=C35)(C)C.[I-]
|
|
| MolPort-046-765-280 |
0.65 |
COC1=C2O[C@H]3C(=O)CC=C4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
|
|
| MCULE-8984827453 |
0.65 |
[C@@]123CCN(C)C4CC5=CC=C(OC)C(OC1C1(C=CC24CC1(C)C(C)(C)O)OC)=C35
|
|
| MCULE-2812031591 |
0.65 |
[C@@]123CCN(C4C(CC)C5=CC=C(OC)C(OC1(C)C1(C(C(C)(C)O)CC24C=C1)OC)=C35)C
|
|
| MCULE-8656228719 |
0.65 |
[C@@]123CCN(C)C4CC5=CC=C(OC)C(OC1C1(C(C(C)(C)O)CC24C=C1)OC)=C35
|
|
| MCULE-3768436096 |
0.65 |
[C@@]123CCN(C)C4CC5=CC=C(OC)C(O[C@@]1([H])[C@]1(C=C[C@]24C[C@@H]1CO)OC)=C35
|
|
| MCULE-4191656082 |
0.65 |
C123CCN(C4CC5C=CC(OC)=C(OC1=CC(C=C24)C)C3=5)C
|
|
| MCULE-7858309300 |
0.65 |
[H][C@]12[C@@H]3N(CC[C@]41C1C(C3)=CC=C(O)C=1O[C@@H]4[C@H](O)C=C2)CC=C
|
|
| MCULE-5000197122 |
0.65 |
[C@@]123CCN(C4CC5=CC=C(OC)C(OC1(C)C1(OC)C(CC24C=C1)C)=C35)C
|
|
| MCULE-6545190962 |
0.64 |
[C@@]123CCN(C)C4CC5=CC=C(O)C(OC1(C)C1(C=CC24CC1C(C)(CCCCCC)O)OC)=C35
|
|
| MCULE-9253081508 |
0.64 |
[C@@]123CCN(C4CC5=CC=C(O)C(OC1C1(OC)C(CC24C=C1)CO)=C35)C
|
|
| MCULE-6660834094 |
0.64 |
[C@@]123CCN(C)C4C(C5=CC=C(O)C(OC1(C)C1(C=CC24CC1C(C)(C)O)OC)=C35)CC
|
|
| MCULE-3943798409 |
0.64 |
[C@@]123CCN(C)C4CC5=CC=C(O)C(OC1(C)C1(C(C(C)(CCCC)O)CC24C=C1)OC)=C35
|
|
| MCULE-9815226098 |
0.64 |
[C@@]123CCN(C4CC5=CC=C(O)C(OC1C1(OC)C=CC24CC1C(C)(C)O)=C35)C
|
|
| MCULE-1411736919 |
0.64 |
[C@@]123CCN(C4CC5=CC=C(O)C(OC1(C)C1(C(C(C)(CCC)O)CC24C=C1)OC)=C35)C
|
|
| MCULE-7182113443 |
0.64 |
[H]Cl.[H][C@]12[C@@H]3N(CC[C@]41C1C(C3)=CC=C(O)C=1O[C@@H]4[C@H](O)C=C2)CC=C
|
|
| MCULE-9949338987 |
0.64 |
C123CCN(C=O)C4CC5C=CC(OC)=C(OC1C(C=CC24)O)C3=5
|
|
| MCULE-4552811228 |
0.64 |
C123CCN(C4CC5C=CC(OC)=C(OC1=CC(C=C24)C(C)(C)O)C3=5)C
|
|
| MCULE-4309596577 |
0.63 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C(Cl)C=C24)O)C3=5
|
|
| MCULE-7692967332 |
0.63 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1C(C(Cl)C=C24)O)C3=5
|
|
| MCULE-2357388982 |
0.63 |
[H][C@]12[C@@H]3N(CC[C@]41C1C(C3)=CC=C(OCCN3CCOCC3)C=1O[C@@H]4[C@H](O)C=C2)C
|
|
| MCULE-7263416658 |
0.63 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1C=CC=C24)C3=5
|
|
| MCULE-4710496034 |
0.63 |
C123CCN(C4CC5C=CC(OC)=C(OC1C(=O)C=CC24O)C3=5)C
|
|
| MolPort-046-764-447 |
0.63 |
COC1=CC=C2C[C@H]3NCC[C@@]45[C@@H](OC1=C24)C(=O)C=C[C@@]35O
|
|
| MolPort-046-763-897 |
0.63 |
COC1=C2O[C@@H]3C(=O)C=C[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C
|
|
| MolPort-046-067-788 |
0.63 |
COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)C(=O)C=C[C@]35O
|
|
| MolPort-046-693-816 |
0.62 |
COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)[C@]1(OC)C=C[C@@]35C2=C(O)C3=CC=CC=C3C(O)=C12
|
|
| MCULE-9332015646 |
0.62 |
[C@@]123CCN(C)C4CC5=CC=C(OC)C(OC1(C)C1(C6C(=CC=C(O)C=6C24C=C1)O)OC)=C35
|
|
| MCULE-2074313836 |
0.62 |
[C@@]123CCN(C)[C@@H]4CC5=CC=C(OC)C(O[C@H]1C1(C=C[C@]24C2C(O)=C4C(C=CC=C4)=C(O)C=21)OC)=C35
|
|
| MCULE-9838337342 |
0.62 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C=CC24)=O)C3=5
|
|
| MCULE-6482343297 |
0.62 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C=C(OC)C=C24)C3=5
|
|
| MCULE-7736998905 |
0.62 |
[C@@]123CCN(C)[C@@H]4CC5=CC=C(OC)C(O[C@H]1C1(C=C[C@]24C[C@@H]1C#N)OC)=C35
|
|
| MCULE-7547592688 |
0.62 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MCULE-5816040634 |
0.62 |
C1(OC)C=C2CCCN3CCC4[C@]3(C2=CC=1OC)C[C@@H](OC)CC=4
|
|
| MolPort-046-763-898 |
0.62 |
COC1=C2O[C@@H]3C(=O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
|
|
| MolPort-006-391-685 |
0.62 |
COC1=C2O[C@H]3[C@@H](OC(C)=O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
|
|
| MolPort-046-693-815 |
0.62 |
COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)[C@]1(OC)C=C[C@@]35C[C@@H]1C#N
|
|
| MolPort-019-936-918 |
0.62 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MolPort-035-705-698 |
0.62 |
CO[C@H]1CC=C2CCN3CCCC4=CC(OC)=C(OC)C=C4[C@]23C1
|
|
| MolPort-046-766-121 |
0.62 |
[Br-].C[N@@]1(CC2CC2)CC[C@]23[C@H]4OC5=C(O)C=CC(CC1[C@]2(O)C=CC4=O)=C35
|
|
| MolPort-046-693-817 |
0.61 |
COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)[C@]1(OC)C=C[C@@]35C2=C1C(OC)=CC=C2OC
|
|
| MCULE-3982791811 |
0.61 |
C123CCN(C4CC5C=CC(OC)=C(OC1C(Cl)C=CC24)C3=5)C
|
|
| MCULE-3503782637 |
0.61 |
CN1[C@H]2[C@@H]3C=C[C@H](OC(=O)C)[C@@H]4OC5C([C@@]43CC1)=C(C2)C=CC=5O
|
|
| MCULE-8292152502 |
0.61 |
C123CCN(C4CC5C=CC(OC)=C(OC1=C(OC)C(C=C24)C(C)(C)O)C3=5)C
|
|
| MCULE-7718235577 |
0.61 |
[C@@]123CCN(C)[C@@H]4CC5=CC=C(OC)C(O[C@H]1C1(C=C[C@]24C2C(OC)=CC=C(OC)C=21)OC)=C35
|
|
| MCULE-6682393489 |
0.61 |
[C@@]123CCN(C)C4CC5=CC=C(OC)C(OC1(C)C1C=CC24C(C(OC)=O)C1C(OC)=O)=C35
|
|
| MCULE-5124483299 |
0.61 |
[C@@]123CCN(C)[C@@H]4CC5=CC=C(OC)C(O[C@H]1C1(C=C[C@]24C2=C(OC)C4=C(C=CC=C4)C(OC)=C21)OC)=C35
|
|
| MCULE-6573789689 |
0.61 |
[C@@]123CCN(C4CC5=CC=C(O)C(OC1C1(O)C=CC24CC1C(OCC)=O)=C35)C
|
|
| MolPort-046-693-818 |
0.61 |
COC1=CC=C2C[C@H]3N(C)CC[C@@]45[C@@H](OC1=C24)[C@]1(OC)C=C[C@@]35C2=C(OC)C3=CC=CC=C3C(OC)=C12
|
|
| MolPort-046-762-006 |
0.61 |
OC1=CC=C2C[C@H]3N(CC=C)CC[C@@]45[C@@H](OC1=C24)C(=O)C=C[C@@]35O
|
|
| MolPort-046-153-066 |
0.61 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MolPort-046-763-764 |
0.60 |
COC(=O)N1CC[C@@]23[C@@H]4OC5=C2C(C[C@@H]1[C@@H]3C=C[C@H]4O)=CC=C5OC
|
|
| MolPort-046-693-814 |
0.60 |
COC(=O)[C@@H]1CC23C=C[C@@]1(OC)[C@@H]1OC4=C5C(CC2N(C)CCC315)=CC=C4OC
|
|
| MCULE-2481157853 |
0.60 |
[C@@]123CCN(C4CC5=CC=C(OC)C(OC1(C)C1(OC)C=CC24CC1C(C)=O)=C35)C
|
|
| MCULE-8657060377 |
0.60 |
[C@@]123CCN([C@@H]4CC5=CC=C(OC)C(O[C@@]1([H])C(=CCC24)OC)=C35)C
|
|
| MCULE-2306086991 |
0.60 |
C123CCN(C)C4CC5=CC=C(OC)C(O[C@H]1[C@@]1(C=CC24C[C@H]1C(=O)OC)OC)=C35
|
|
| MCULE-9972458652 |
0.60 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C(CCCC)O)C(=CC=C24)OC)C3=5
|
|
| MCULE-9221451123 |
0.60 |
C123CCN(C=O)C4CC5C=CC(OC)=C(OC1C(C=CC24)OC(C)=O)C3=5
|
|
